*HEADER    TOXIN                                   08-DEC-15   2N9T              
*TITLE     NMR SOLUTION STRUCTURE OF PROTX-II                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA/OMEGA-THERAPHOTOXIN-TP2A;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA/OMEGA-TRTX-TP2A, PROTX-II, PT-II, PROTOXIN-2, PROTX-2, 
*COMPND   5 PROTX2;                                                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: THRIXOPELMA PRURIENS;                           
*SOURCE   4 ORGANISM_COMMON: GREEN VELVET;                                       
*SOURCE   5 ORGANISM_TAXID: 213387;                                              
*SOURCE   6 OTHER_DETAILS: FMOC SOLID-PHASE PEPTIDE SYNTHESIS                    
*KEYWDS    TOXIN, CYSTINE KNOT                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   06-JUL-16 2N9T    0                                                


!Distance restraints
assign (resid   26 and name HN   ) (resid   26 and name HB2  )    4.13    4.13    0.00
assign (resid   26 and name HN   ) (resid   26 and name HB1  )    4.13    4.13    0.00
assign (resid   26 and name HN   ) (resid   26 and name HG2  )    4.29    4.29    0.00
assign (resid   26 and name HN   ) (resid   26 and name HG1  )    4.29    4.29    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB2  )    3.50    3.50    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB1  )    4.06    4.06    0.00
assign (resid    3 and name HN   ) (resid    3 and name HG1  )    4.27    4.27    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB1  )    4.08    4.08    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB2  )    3.37    3.37    0.00
assign (resid    5 and name HA   ) (resid    6 and name HN   )    3.05    3.05    0.00
assign (resid    6 and name HN   ) (resid    6 and name HG1  )    4.59    4.59    0.00
assign (resid    6 and name HN   ) (resid    6 and name HG2  )    4.47    4.47    0.00
assign (resid   20 and name HN   ) (resid   20 and name HG## )    3.29    3.29    0.00
assign (resid   16 and name HN   ) (resid   16 and name HB1  )    3.75    3.75    0.00
assign (resid   21 and name HN   ) (resid   21 and name HB2  )    3.31    3.31    0.00
assign (resid   21 and name HN   ) (resid   21 and name HB1  )    3.45    3.45    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB#  )    4.10    4.10    0.00
assign (resid    7 and name HN   ) (resid    7 and name HB1  )    3.87    3.87    0.00
assign (resid    7 and name HN   ) (resid    7 and name HB2  )    3.26    3.26    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB2  )    3.25    3.25    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB1  )    3.67    3.67    0.00
assign (resid    8 and name HN   ) (resid    8 and name HG2# )    3.52    3.52    0.00
assign (resid   27 and name HN   ) (resid   27 and name HG#  )    3.62    3.62    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB1  )    3.79    3.79    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB2  )    3.79    3.79    0.00
assign (resid   11 and name HN   ) (resid   11 and name HB#  )    3.30    3.30    0.00
assign (resid   22 and name HN   ) (resid   22 and name HB2  )    3.88    3.88    0.00
assign (resid   22 and name HN   ) (resid   22 and name HB1  )    3.55    3.55    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG1  )    5.19    5.19    0.00
assign (resid   28 and name HB1  ) (resid   29 and name HN   )    4.36    4.36    0.00
assign (resid   12 and name HN   ) (resid   12 and name HB1  )    3.81    3.81    0.00
assign (resid   12 and name HN   ) (resid   12 and name HB2  )    3.81    3.81    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB#  )    3.36    3.36    0.00
assign (resid   13 and name HN   ) (resid   13 and name HG1  )    4.74    4.74    0.00
assign (resid    5 and name HN   ) (resid    5 and name HB#  )    2.91    2.91    0.00
assign (resid   24 and name HN   ) (resid   24 and name HB1  )    4.09    4.09    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB1  )    3.85    3.85    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB2  )    3.85    3.85    0.00
assign (resid   19 and name HN   ) (resid   19 and name HG#  )    3.88    3.88    0.00
assign (resid   19 and name HN   ) (resid   19 and name HB2  )    3.51    3.51    0.00
assign (resid   19 and name HB1  ) (resid   20 and name HN   )    3.90    3.90    0.00
assign (resid   20 and name HA   ) (resid   21 and name HN   )    3.01    3.01    0.00
assign (resid   20 and name HB   ) (resid   21 and name HN   )    4.21    4.21    0.00
assign (resid   20 and name HG## ) (resid   21 and name HN   )    3.67    3.67    0.00
assign (resid   20 and name HA   ) (resid   20 and name HG## )    3.32    3.32    0.00
assign (resid   21 and name HN   ) (resid   22 and name HN   )    5.15    5.15    0.00
assign (resid   21 and name HB1  ) (resid   22 and name HN   )    4.66    4.66    0.00
assign (resid   21 and name HB2  ) (resid   22 and name HN   )    4.74    4.74    0.00
assign (resid   21 and name HA   ) (resid   22 and name HN   )    3.00    3.00    0.00
assign (resid   22 and name HA   ) (resid   22 and name HD1  )    4.30    4.30    0.00
assign (resid   22 and name HA   ) (resid   22 and name HD2  )    4.30    4.30    0.00
assign (resid   23 and name HN   ) (resid   23 and name HD## )    3.81    3.81    0.00
assign (resid   23 and name HN   ) (resid   23 and name HB1  )    4.15    4.15    0.00
assign (resid   23 and name HN   ) (resid   23 and name HB2  )    4.15    4.15    0.00
assign (resid    8 and name HB   ) (resid    9 and name HN   )    3.56    3.56    0.00
assign (resid    8 and name HG2# ) (resid    9 and name HN   )    4.05    4.05    0.00
assign (resid    9 and name HA   ) (resid   10 and name HN   )    3.20    3.20    0.00
assign (resid    9 and name HB1  ) (resid   10 and name HN   )    3.91    3.91    0.00
assign (resid    9 and name HB2  ) (resid   10 and name HN   )    3.94    3.94    0.00
assign (resid   10 and name HB#  ) (resid   11 and name HN   )    2.83    2.83    0.00
assign (resid   10 and name HA   ) (resid   11 and name HN   )    3.37    3.37    0.00
assign (resid   17 and name HN   ) (resid   17 and name HG#  )    4.42    4.42    0.00
assign (resid   17 and name HN   ) (resid   17 and name HB2  )    3.22    3.22    0.00
assign (resid   17 and name HA   ) (resid   18 and name HN   )    3.09    3.09    0.00
assign (resid   17 and name HG#  ) (resid   18 and name HN   )    4.89    4.89    0.00
assign (resid   17 and name HB2  ) (resid   18 and name HN   )    4.73    4.73    0.00
assign (resid   17 and name HB1  ) (resid   18 and name HN   )    4.15    4.15    0.00
assign (resid   23 and name HN   ) (resid   23 and name HG   )    4.19    4.19    0.00
assign (resid   16 and name HN   ) (resid   16 and name HB2  )    3.75    3.75    0.00
assign (resid   16 and name HA   ) (resid   17 and name HN   )    3.02    3.02    0.00
assign (resid   22 and name HA   ) (resid   23 and name HN   )    2.93    2.93    0.00
assign (resid   22 and name HB2  ) (resid   23 and name HN   )    3.95    3.95    0.00
assign (resid   22 and name HB2  ) (resid   24 and name HN   )    4.35    4.35    0.00
assign (resid   22 and name HB1  ) (resid   23 and name HN   )    4.13    4.13    0.00
assign (resid   22 and name HB1  ) (resid   24 and name HN   )    4.67    4.67    0.00
assign (resid   22 and name HG1  ) (resid   23 and name HN   )    4.34    4.34    0.00
assign (resid    5 and name HN   ) (resid    6 and name HN   )    5.50    5.50    0.00
assign (resid   22 and name HN   ) (resid   24 and name HN   )    4.01    4.01    0.00
assign (resid   10 and name HN   ) (resid   11 and name HN   )    5.28    5.28    0.00
assign (resid   16 and name HN   ) (resid   17 and name HN   )    4.66    4.66    0.00
assign (resid    8 and name HN   ) (resid    9 and name HN   )    4.97    4.97    0.00
assign (resid   18 and name HN   ) (resid   19 and name HN   )    3.50    3.50    0.00
assign (resid   19 and name HA   ) (resid   20 and name HN   )    3.09    3.09    0.00
assign (resid    3 and name HB1  ) (resid   16 and name HN   )    4.23    4.23    0.00
assign (resid   19 and name HG#  ) (resid   20 and name HN   )    4.58    4.58    0.00
assign (resid   19 and name HB2  ) (resid   20 and name HN   )    3.97    3.97    0.00
assign (resid   15 and name HA   ) (resid   16 and name HN   )    2.99    2.99    0.00
assign (resid   15 and name HB2  ) (resid   16 and name HN   )    4.69    4.69    0.00
assign (resid   15 and name HB1  ) (resid   16 and name HN   )    3.45    3.45    0.00
assign (resid   14 and name HA   ) (resid   15 and name HN   )    2.99    2.99    0.00
assign (resid   13 and name HA   ) (resid   14 and name HN   )    2.93    2.93    0.00
assign (resid   12 and name HB1  ) (resid   13 and name HN   )    4.30    4.30    0.00
assign (resid   12 and name HB2  ) (resid   13 and name HN   )    4.30    4.30    0.00
assign (resid   13 and name HB#  ) (resid   14 and name HN   )    4.04    4.04    0.00
assign (resid   13 and name HG2  ) (resid   14 and name HN   )    4.79    4.79    0.00
assign (resid   13 and name HG1  ) (resid   14 and name HN   )    3.36    3.36    0.00
assign (resid   11 and name HB#  ) (resid   12 and name HN   )    3.82    3.82    0.00
assign (resid   10 and name HA   ) (resid   10 and name HB#  )    2.91    2.91    0.00
assign (resid    8 and name HA   ) (resid    8 and name HG2# )    3.61    3.61    0.00
assign (resid   19 and name HA   ) (resid   19 and name HG#  )    3.90    3.90    0.00
assign (resid   27 and name HB1  ) (resid   28 and name HN   )    4.33    4.33    0.00
assign (resid   26 and name HA   ) (resid   27 and name HN   )    3.10    3.10    0.00
assign (resid    7 and name HA   ) (resid    7 and name HD1  )    3.69    3.69    0.00
assign (resid   24 and name HN   ) (resid   24 and name HB2  )    3.99    3.99    0.00
assign (resid   23 and name HA   ) (resid   23 and name HD## )    3.44    3.44    0.00
assign (resid   23 and name HB2  ) (resid   23 and name HD## )    3.95    3.95    0.00
assign (resid   23 and name HB1  ) (resid   23 and name HD## )    3.95    3.95    0.00
assign (resid    2 and name HA   ) (resid    3 and name HN   )    3.21    3.21    0.00
assign (resid    2 and name HB1  ) (resid    3 and name HN   )    3.93    3.93    0.00
assign (resid    2 and name HB2  ) (resid    3 and name HN   )    3.93    3.93    0.00
assign (resid   14 and name HB1  ) (resid   15 and name HN   )    4.16    4.16    0.00
assign (resid   14 and name HB2  ) (resid   15 and name HN   )    4.16    4.16    0.00
assign (resid   24 and name HA   ) (resid   25 and name HN   )    3.23    3.23    0.00
assign (resid   25 and name HA   ) (resid   26 and name HN   )    2.93    2.93    0.00
assign (resid   27 and name HA   ) (resid   28 and name HN   )    3.14    3.14    0.00
assign (resid   29 and name HA   ) (resid   30 and name HN   )    3.57    3.57    0.00
assign (resid    5 and name HB#  ) (resid    5 and name HD1  )    3.52    3.52    0.00
assign (resid   24 and name HB1  ) (resid   25 and name HN   )    3.80    3.80    0.00
assign (resid    8 and name HN   ) (resid    8 and name HB   )    3.49    3.49    0.00
assign (resid    8 and name HA   ) (resid    9 and name HN   )    2.56    2.56    0.00
assign (resid    7 and name HA   ) (resid    8 and name HN   )    3.08    3.08    0.00
assign (resid    7 and name HB1  ) (resid    8 and name HN   )    4.34    4.34    0.00
assign (resid    7 and name HB2  ) (resid    8 and name HN   )    3.79    3.79    0.00
assign (resid    7 and name HB2  ) (resid    7 and name HE3  )    3.97    3.97    0.00
assign (resid    7 and name HB1  ) (resid    7 and name HE3  )    3.72    3.72    0.00
assign (resid    3 and name HE22 ) (resid    7 and name HB1  )    4.73    4.73    0.00
assign (resid    3 and name HE22 ) (resid    7 and name HB2  )    5.50    5.50    0.00
assign (resid    5 and name HB#  ) (resid    5 and name HE3  )    2.76    2.76    0.00
assign (resid    3 and name HG2  ) (resid    3 and name HE22 )    4.09    4.09    0.00
assign (resid    3 and name HB1  ) (resid    3 and name HE22 )    5.14    5.14    0.00
assign (resid    4 and name HA   ) (resid    5 and name HN   )    3.30    3.30    0.00
assign (resid    3 and name HB1  ) (resid    7 and name HE3  )    4.76    4.76    0.00
assign (resid    4 and name HE#  ) (resid    7 and name HZ2  )    4.48    4.48    0.00
assign (resid    4 and name HE#  ) (resid    7 and name HH2  )    5.00    5.00    0.00
assign (resid    4 and name HB1  ) (resid    5 and name HN   )    3.55    3.55    0.00
assign (resid    7 and name HN   ) (resid    8 and name HA   )    4.96    4.96    0.00
assign (resid    3 and name HN   ) (resid   15 and name HA   )    3.87    3.87    0.00
assign (resid   25 and name HB1  ) (resid   26 and name HN   )    4.25    4.25    0.00
assign (resid   20 and name HG## ) (resid   26 and name HN   )    4.69    4.69    0.00
assign (resid    5 and name HD1  ) (resid    6 and name HB1  )    5.36    5.36    0.00
assign (resid   13 and name HB#  ) (resid   13 and name HE   )    3.69    3.69    0.00
assign (resid   13 and name HG2  ) (resid   13 and name HE   )    3.76    3.76    0.00
assign (resid   13 and name HG1  ) (resid   13 and name HE   )    3.93    3.93    0.00
assign (resid   27 and name HG#  ) (resid   28 and name HN   )    4.44    4.44    0.00
assign (resid   28 and name HN   ) (resid   28 and name HG#  )    4.64    4.64    0.00
assign (resid   10 and name HN   ) (resid   13 and name HB#  )    3.57    3.57    0.00
assign (resid   10 and name HN   ) (resid   13 and name HG2  )    4.71    4.71    0.00
assign (resid   10 and name HN   ) (resid   13 and name HG1  )    5.10    5.10    0.00
assign (resid    5 and name HD1  ) (resid   27 and name HG#  )    4.68    4.68    0.00
assign (resid   23 and name HB1  ) (resid   24 and name HE3  )    4.40    4.40    0.00
assign (resid   23 and name HD## ) (resid   24 and name HE3  )    4.30    4.30    0.00
assign (resid   23 and name HB2  ) (resid   24 and name HE3  )    4.40    4.40    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HA   )    3.58    3.58    0.00
assign (resid    4 and name HB2  ) (resid    5 and name HN   )    4.49    4.49    0.00
assign (resid    4 and name HG2  ) (resid    5 and name HN   )    5.50    5.50    0.00
assign (resid    4 and name HN   ) (resid    7 and name HB2  )    5.05    5.05    0.00
assign (resid   24 and name HA   ) (resid   24 and name HD1  )    5.05    5.05    0.00
assign (resid   19 and name HB2  ) (resid   26 and name HN   )    5.06    5.06    0.00
assign (resid   19 and name HB1  ) (resid   26 and name HN   )    4.25    4.25    0.00
assign (resid   20 and name HN   ) (resid   26 and name HN   )    4.01    4.01    0.00
assign (resid   22 and name HN   ) (resid   26 and name HN   )    5.50    5.50    0.00
assign (resid    5 and name HD1  ) (resid    6 and name HN   )    3.65    3.65    0.00
assign (resid   10 and name HN   ) (resid   13 and name HN   )    3.68    3.68    0.00
assign (resid    3 and name HE21 ) (resid    7 and name HE3  )    3.95    3.95    0.00
assign (resid    7 and name HN   ) (resid    7 and name HD1  )    3.96    3.96    0.00
assign (resid    5 and name HD1  ) (resid   27 and name HN   )    4.05    4.05    0.00
assign (resid   11 and name HN   ) (resid   12 and name HN   )    3.51    3.51    0.00
assign (resid   13 and name HN   ) (resid   14 and name HN   )    4.58    4.58    0.00
assign (resid   24 and name HN   ) (resid   24 and name HE3  )    4.62    4.62    0.00
assign (resid    3 and name HE22 ) (resid    7 and name HE3  )    4.03    4.03    0.00
assign (resid   13 and name HN   ) (resid   13 and name HE   )    4.68    4.68    0.00
assign (resid   24 and name HN   ) (resid   25 and name HN   )    4.48    4.48    0.00
assign (resid    4 and name HB2  ) (resid    7 and name HD1  )    4.94    4.94    0.00
assign (resid    4 and name HB2  ) (resid    7 and name HE1  )    4.68    4.68    0.00
assign (resid    8 and name HG2# ) (resid   24 and name HE1  )    4.08    4.08    0.00
assign (resid    4 and name HB1  ) (resid    7 and name HE1  )    5.39    5.39    0.00
assign (resid    5 and name HE1  ) (resid   27 and name HG#  )    4.72    4.72    0.00
assign (resid    5 and name HE1  ) (resid    6 and name HB1  )    5.50    5.50    0.00
assign (resid    5 and name HA   ) (resid    5 and name HE1  )    5.50    5.50    0.00
assign (resid    5 and name HE1  ) (resid   27 and name HN   )    4.61    4.61    0.00
assign (resid    5 and name HE1  ) (resid   26 and name HA   )    4.96    4.96    0.00
assign (resid    8 and name HG2# ) (resid   24 and name HD1  )    4.65    4.65    0.00
assign (resid   27 and name HA   ) (resid   27 and name HG#  )    3.43    3.43    0.00
assign (resid   29 and name HA   ) (resid   29 and name HD1# )    4.07    4.07    0.00
assign (resid   29 and name HA   ) (resid   29 and name HD2# )    4.07    4.07    0.00
assign (resid   29 and name HN   ) (resid   29 and name HD1# )    5.06    5.06    0.00
assign (resid   29 and name HN   ) (resid   29 and name HD2# )    5.06    5.06    0.00
assign (resid    1 and name HB2  ) (resid    2 and name HN   )    4.31    4.31    0.00
assign (resid    3 and name HA   ) (resid    3 and name HG1  )    3.58    3.58    0.00
assign (resid   12 and name HA   ) (resid   12 and name HG#  )    3.88    3.88    0.00
assign (resid   13 and name HA   ) (resid   13 and name HG2  )    3.79    3.79    0.00
assign (resid   13 and name HA   ) (resid   13 and name HG1  )    3.86    3.86    0.00
assign (resid   26 and name HB2  ) (resid   27 and name HN   )    4.16    4.16    0.00
assign (resid   26 and name HB1  ) (resid   27 and name HN   )    4.16    4.16    0.00
assign (resid   30 and name HB2  ) (resid   30 and name HD1  )    3.65    3.65    0.00
assign (resid   30 and name HB1  ) (resid   30 and name HD1  )    3.65    3.65    0.00
assign (resid   24 and name HB2  ) (resid   24 and name HE3  )    3.76    3.76    0.00
assign (resid   24 and name HB1  ) (resid   24 and name HE3  )    3.91    3.91    0.00
assign (resid    6 and name HN   ) (resid    7 and name HN   )    4.39    4.39    0.00
assign (resid    6 and name HG2  ) (resid    7 and name HN   )    5.50    5.50    0.00
assign (resid    6 and name HG1  ) (resid    7 and name HN   )    4.86    4.86    0.00
assign (resid    5 and name HB#  ) (resid    6 and name HN   )    4.20    4.20    0.00
assign (resid    5 and name HE1  ) (resid    6 and name HG2  )    5.50    5.50    0.00
assign (resid   28 and name HA   ) (resid   29 and name HN   )    3.25    3.25    0.00
assign (resid   28 and name HG#  ) (resid   29 and name HN   )    4.61    4.61    0.00
assign (resid   28 and name HB2  ) (resid   29 and name HN   )    4.36    4.36    0.00
assign (resid   27 and name HB2  ) (resid   28 and name HN   )    4.33    4.33    0.00
assign (resid   28 and name HA   ) (resid   28 and name HG#  )    3.58    3.58    0.00
assign (resid    4 and name HN   ) (resid    4 and name HD#  )    5.50    5.50    0.00
assign (resid    4 and name HN   ) (resid    4 and name HB2  )    3.62    3.62    0.00
assign (resid    4 and name HN   ) (resid    7 and name HE3  )    4.53    4.53    0.00
assign (resid    3 and name HA   ) (resid    7 and name HE3  )    3.38    3.38    0.00
assign (resid    3 and name HA   ) (resid    4 and name HN   )    3.06    3.06    0.00
assign (resid    3 and name HG1  ) (resid    4 and name HN   )    5.50    5.50    0.00
assign (resid    4 and name HB2  ) (resid    4 and name HE#  )    5.50    5.50    0.00
assign (resid    4 and name HA   ) (resid    4 and name HD#  )    5.50    5.50    0.00
assign (resid    4 and name HB1  ) (resid    4 and name HE#  )    5.50    5.50    0.00
assign (resid    4 and name HG1  ) (resid    5 and name HN   )    5.50    5.50    0.00
assign (resid    4 and name HD#  ) (resid    5 and name HN   )    5.13    5.13    0.00
assign (resid    4 and name HB2  ) (resid    7 and name HZ2  )    5.50    5.50    0.00
assign (resid    4 and name HN   ) (resid    7 and name HH2  )    5.50    5.50    0.00
assign (resid    3 and name HG2  ) (resid    3 and name HE21 )    3.53    3.53    0.00
assign (resid    3 and name HB1  ) (resid    3 and name HE21 )    4.27    4.27    0.00
assign (resid    3 and name HE21 ) (resid    7 and name HB2  )    4.88    4.88    0.00
assign (resid    3 and name HE21 ) (resid    7 and name HB1  )    4.19    4.19    0.00
assign (resid    3 and name HA   ) (resid    3 and name HE22 )    3.86    3.86    0.00
assign (resid    6 and name HA   ) (resid   24 and name HD1  )    3.72    3.72    0.00
assign (resid    6 and name HG1  ) (resid    7 and name HD1  )    4.53    4.53    0.00
assign (resid   12 and name HB2  ) (resid   13 and name HE   )    5.50    5.50    0.00
assign (resid    5 and name HA   ) (resid    5 and name HE3  )    5.20    5.20    0.00
assign (resid    5 and name HA   ) (resid    5 and name HD1  )    3.47    3.47    0.00
assign (resid    9 and name HB2  ) (resid   15 and name HN   )    4.58    4.58    0.00
assign (resid    9 and name HB1  ) (resid   15 and name HN   )    4.77    4.77    0.00
assign (resid    3 and name HG2  ) (resid    9 and name HA   )    4.14    4.14    0.00
assign (resid    9 and name HA   ) (resid   13 and name HG1  )    4.68    4.68    0.00
assign (resid    9 and name HA   ) (resid   13 and name HB#  )    3.90    3.90    0.00
assign (resid    6 and name HA   ) (resid   24 and name HB2  )    4.51    4.51    0.00
assign (resid    6 and name HA   ) (resid   24 and name HB1  )    4.30    4.30    0.00
assign (resid    9 and name HA   ) (resid   13 and name HG2  )    4.83    4.83    0.00
assign (resid    3 and name HG1  ) (resid    9 and name HA   )    4.30    4.30    0.00
assign (resid    6 and name HA   ) (resid    6 and name HG1  )    4.02    4.02    0.00
assign (resid   26 and name HA   ) (resid   26 and name HG2  )    3.90    3.90    0.00
assign (resid    4 and name HN   ) (resid    5 and name HN   )    4.56    4.56    0.00
assign (resid    3 and name HA   ) (resid    3 and name HE21 )    5.35    5.35    0.00
assign (resid    6 and name HN   ) (resid   24 and name HB1  )    4.98    4.98    0.00
assign (resid    5 and name HD1  ) (resid    6 and name HA   )    4.36    4.36    0.00
assign (resid    2 and name HA   ) (resid    3 and name HE22 )    4.33    4.33    0.00
assign (resid   19 and name HA   ) (resid   27 and name HA   )    4.35    4.35    0.00
assign (resid    4 and name HN   ) (resid    7 and name HB1  )    5.20    5.20    0.00
assign (resid    3 and name HA   ) (resid    7 and name HB2  )    5.10    5.10    0.00
assign (resid    3 and name HA   ) (resid    4 and name HA   )    5.27    5.27    0.00
assign (resid   22 and name HA   ) (resid   23 and name HA   )    5.50    5.50    0.00
assign (resid    3 and name HB1  ) (resid    4 and name HN   )    5.10    5.10    0.00
assign (resid    3 and name HB2  ) (resid    4 and name HN   )    5.50    5.50    0.00
assign (resid   17 and name HB1  ) (resid   19 and name HA   )    5.50    5.50    0.00
assign (resid    3 and name HB2  ) (resid   15 and name HA   )    3.25    3.25    0.00
assign (resid    3 and name HB1  ) (resid   15 and name HA   )    3.77    3.77    0.00
assign (resid    4 and name HA   ) (resid    5 and name HB#  )    4.12    4.12    0.00
assign (resid   10 and name HB#  ) (resid   11 and name HB#  )    4.44    4.44    0.00
assign (resid   15 and name HB1  ) (resid   19 and name HB2  )    3.27    3.27    0.00
assign (resid   19 and name HB2  ) (resid   25 and name HB1  )    3.91    3.91    0.00
assign (resid   15 and name HB1  ) (resid   19 and name HB1  )    3.66    3.66    0.00
assign (resid   19 and name HB1  ) (resid   25 and name HB1  )    3.64    3.64    0.00
assign (resid   19 and name HB1  ) (resid   25 and name HB2  )    4.94    4.94    0.00
assign (resid   10 and name HB#  ) (resid   13 and name HB#  )    3.99    3.99    0.00
assign (resid    3 and name HB1  ) (resid   15 and name HB1  )    4.55    4.55    0.00
assign (resid   15 and name HB1  ) (resid   19 and name HG#  )    5.22    5.22    0.00
assign (resid   25 and name HB2  ) (resid   26 and name HN   )    5.37    5.37    0.00
assign (resid    3 and name HG1  ) (resid    7 and name HE3  )    5.50    5.50    0.00
assign (resid   20 and name HN   ) (resid   25 and name HB1  )    4.79    4.79    0.00
assign (resid    3 and name HG1  ) (resid    7 and name HN   )    5.50    5.50    0.00
assign (resid    3 and name HB1  ) (resid    7 and name HN   )    4.29    4.29    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HB1  )    5.06    5.06    0.00
assign (resid   17 and name HB1  ) (resid   19 and name HN   )    4.97    4.97    0.00
assign (resid    3 and name HN   ) (resid    3 and name HG2  )    4.11    4.11    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HE#  )    4.63    4.63    0.00
assign (resid   19 and name HG#  ) (resid   27 and name HA   )    3.54    3.54    0.00
assign (resid    3 and name HB1  ) (resid    7 and name HB2  )    3.76    3.76    0.00
assign (resid   21 and name HB1  ) (resid   22 and name HB2  )    5.50    5.50    0.00
assign (resid    1 and name HB1  ) (resid    2 and name HN   )    4.31    4.31    0.00
assign (resid   22 and name HB1  ) (resid   22 and name HE   )    5.50    5.50    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG2  )    5.19    5.19    0.00
assign (resid   22 and name HG2  ) (resid   23 and name HN   )    4.34    4.34    0.00
assign (resid    4 and name HA   ) (resid    4 and name HE#  )    5.50    5.50    0.00
assign (resid   10 and name HB#  ) (resid   13 and name HA   )    5.50    5.50    0.00
assign (resid   13 and name HA   ) (resid   13 and name HD2  )    5.50    5.50    0.00
assign (resid   13 and name HA   ) (resid   13 and name HD1  )    5.50    5.50    0.00
assign (resid   10 and name HB#  ) (resid   13 and name HN   )    5.50    5.50    0.00
assign (resid   14 and name HA   ) (resid   14 and name HD#  )    5.50    5.50    0.00
assign (resid   14 and name HA   ) (resid   14 and name HE#  )    5.50    5.50    0.00
assign (resid   14 and name HB2  ) (resid   14 and name HE#  )    5.50    5.50    0.00
assign (resid   14 and name HB1  ) (resid   14 and name HE#  )    5.50    5.50    0.00
assign (resid   26 and name HA   ) (resid   26 and name HE#  )    5.50    5.50    0.00
assign (resid   26 and name HA   ) (resid   26 and name HG1  )    3.90    3.90    0.00
assign (resid   26 and name HB2  ) (resid   26 and name HE#  )    5.50    5.50    0.00
assign (resid   26 and name HB1  ) (resid   26 and name HE#  )    5.50    5.50    0.00
assign (resid   19 and name HA   ) (resid   20 and name HG## )    4.09    4.09    0.00
assign (resid    9 and name HB2  ) (resid   10 and name HA   )    4.64    4.64    0.00
assign (resid    3 and name HB2  ) (resid   25 and name HB2  )    4.80    4.80    0.00
assign (resid   19 and name HB2  ) (resid   25 and name HB2  )    5.19    5.19    0.00
assign (resid    3 and name HE21 ) (resid   13 and name HG1  )    5.34    5.34    0.00
assign (resid   10 and name HN   ) (resid   13 and name HA   )    5.19    5.19    0.00
assign (resid   22 and name HN   ) (resid   25 and name HA   )    3.76    3.76    0.00
assign (resid    4 and name HB2  ) (resid    7 and name HH2  )    5.50    5.50    0.00
assign (resid    8 and name HG2# ) (resid   24 and name HZ2  )    5.50    5.50    0.00
assign (resid    7 and name HA   ) (resid   24 and name HD1  )    4.39    4.39    0.00
assign (resid   12 and name HB1  ) (resid   13 and name HE   )    5.50    5.50    0.00
assign (resid    3 and name HE21 ) (resid    8 and name HN   )    4.49    4.49    0.00
assign (resid    9 and name HN   ) (resid   10 and name HN   )    5.50    5.50    0.00
assign (resid    8 and name HN   ) (resid   24 and name HD1  )    5.50    5.50    0.00
assign (resid    7 and name HD1  ) (resid    8 and name HN   )    5.50    5.50    0.00
assign (resid    7 and name HN   ) (resid   24 and name HD1  )    5.00    5.00    0.00
assign (resid   24 and name HD1  ) (resid   25 and name HN   )    5.50    5.50    0.00
assign (resid   20 and name HA   ) (resid   21 and name HB1  )    5.34    5.34    0.00
assign (resid    3 and name HG2  ) (resid   15 and name HA   )    3.91    3.91    0.00
assign (resid    7 and name HA   ) (resid    8 and name HG2# )    4.40    4.40    0.00
assign (resid    8 and name HG2# ) (resid   24 and name HA   )    5.17    5.17    0.00
assign (resid    3 and name HG1  ) (resid    7 and name HB2  )    4.31    4.31    0.00
assign (resid   14 and name HA   ) (resid   15 and name HB2  )    5.13    5.13    0.00
assign (resid   22 and name HB2  ) (resid   25 and name HA   )    4.86    4.86    0.00
assign (resid   25 and name HA   ) (resid   26 and name HG2  )    5.50    5.50    0.00
assign (resid   25 and name HA   ) (resid   26 and name HG1  )    5.50    5.50    0.00
assign (resid   19 and name HB1  ) (resid   25 and name HA   )    4.11    4.11    0.00
assign (resid   19 and name HB1  ) (resid   26 and name HA   )    4.60    4.60    0.00
assign (resid   13 and name HB#  ) (resid   13 and name HG1  )    2.69    2.69    0.00
assign (resid    4 and name HE#  ) (resid    7 and name HE1  )    5.33    5.33    0.00
assign (resid   20 and name HG## ) (resid   22 and name HN   )    4.49    4.49    0.00
assign (resid   15 and name HB2  ) (resid   19 and name HB2  )    3.66    3.66    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG#  )    3.94    3.94    0.00
assign (resid   12 and name HG#  ) (resid   13 and name HN   )    5.37    5.37    0.00
assign (resid   13 and name HA   ) (resid   13 and name HE   )    4.21    4.21    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HG1  )    4.71    4.71    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HG2  )    4.71    4.71    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HB2  )    5.06    5.06    0.00
assign (resid    1 and name HB#  ) (resid    2 and name HN   )    3.58    3.58    0.00
assign (resid    2 and name HN   ) (resid    2 and name HB#  )    3.60    3.60    0.00
assign (resid    2 and name HB#  ) (resid    3 and name HN   )    3.24    3.24    0.00
assign (resid    4 and name HN   ) (resid    4 and name HG#  )    3.60    3.60    0.00
assign (resid    4 and name HA   ) (resid    4 and name HG#  )    3.68    3.68    0.00
assign (resid    4 and name HG#  ) (resid    5 and name HN   )    4.77    4.77    0.00
assign (resid    4 and name HG#  ) (resid    7 and name HH2  )    5.34    5.34    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HB#  )    4.19    4.19    0.00
assign (resid    5 and name HD1  ) (resid   26 and name HG#  )    4.07    4.07    0.00
assign (resid    5 and name HE1  ) (resid   26 and name HB#  )    5.34    5.34    0.00
assign (resid    5 and name HE1  ) (resid   26 and name HG#  )    5.34    5.34    0.00
assign (resid   12 and name HN   ) (resid   12 and name HB#  )    3.19    3.19    0.00
assign (resid   12 and name HB#  ) (resid   13 and name HN   )    3.71    3.71    0.00
assign (resid   13 and name HN   ) (resid   13 and name HD#  )    5.34    5.34    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB#  )    3.06    3.06    0.00
assign (resid   14 and name HN   ) (resid   14 and name HG#  )    3.08    3.08    0.00
assign (resid   14 and name HA   ) (resid   14 and name HG#  )    3.51    3.51    0.00
assign (resid   14 and name HB#  ) (resid   14 and name HD#  )    3.36    3.36    0.00
assign (resid   14 and name HB#  ) (resid   15 and name HN   )    3.52    3.52    0.00
assign (resid   14 and name HG#  ) (resid   15 and name HN   )    4.63    4.63    0.00
assign (resid   16 and name HB#  ) (resid   17 and name HN   )    3.26    3.26    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG#  )    4.43    4.43    0.00
assign (resid   22 and name HN   ) (resid   22 and name HD#  )    4.60    4.60    0.00
assign (resid   22 and name HA   ) (resid   22 and name HG#  )    3.56    3.56    0.00
assign (resid   22 and name HA   ) (resid   22 and name HD#  )    3.59    3.59    0.00
assign (resid   23 and name HN   ) (resid   23 and name HB#  )    3.55    3.55    0.00
assign (resid   23 and name HB#  ) (resid   24 and name HN   )    4.12    4.12    0.00
assign (resid   23 and name HB#  ) (resid   24 and name HE3  )    3.54    3.54    0.00
assign (resid   25 and name HA   ) (resid   26 and name HB#  )    4.48    4.48    0.00
assign (resid   25 and name HA   ) (resid   26 and name HG#  )    4.73    4.73    0.00
assign (resid   26 and name HN   ) (resid   26 and name HB#  )    3.53    3.53    0.00
assign (resid   26 and name HA   ) (resid   26 and name HG#  )    3.17    3.17    0.00
assign (resid   27 and name HB#  ) (resid   27 and name HE#  )    5.34    5.34    0.00
assign (resid   27 and name HB#  ) (resid   28 and name HN   )    3.73    3.73    0.00
assign (resid   28 and name HN   ) (resid   28 and name HB#  )    3.68    3.68    0.00
assign (resid   28 and name HB#  ) (resid   28 and name HE#  )    3.97    3.97    0.00
assign (resid   28 and name HB#  ) (resid   29 and name HN   )    3.62    3.62    0.00
assign (resid   29 and name HN   ) (resid   29 and name HD## )    4.25    4.25    0.00
assign (resid   29 and name HA   ) (resid   29 and name HD## )    3.51    3.51    0.00
assign (resid   30 and name HN   ) (resid   30 and name HB#  )    3.66    3.66    0.00
assign (resid   30 and name HB#  ) (resid   30 and name HD1  )    3.16    3.16    0.00
!Dihedral restraints
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -107.5   56.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  147.1   34.4 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -108.3   20.0 2  
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -71.6   28.8 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  145.7   31.9 2 
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -87.6   28.3 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  125.6   20.0 2 
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -115.8   73.7 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  125.5   83.8 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -130.1   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  154.8   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  -89.4   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   87.0   36.1 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -97.3   55.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  137.3   25.6 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -88.8   32.9 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  128.1   33.4 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -108.2   70.7 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  117.8   49.8 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0   55.3   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0   37.8   30.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -115.8   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  141.1   20.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -106.1   28.1 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  127.2   20.1 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -92.9   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  117.2   20.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -93.0   25.5 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  124.7   26.9 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0 -105.3   54.6 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  141.8   43.6 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -85.8   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  114.7   32.3 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name SG   )    1.0   60.0   30.0 2
assign (resid   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   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name SG   )    1.0  -60.0   30.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name CB   ) (resid   21 and name SG   )    1.0 -180.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0   30.0 2 
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name CB   )    1.0  -60.0   30.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name CB   )    1.0  -60.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name CB   )    1.0  -60.0   30.0 2
!H-bond restraints
assign (resid    2 and name O    ) (resid    4 and name H    )    2.30    2.30    0.00
assign (resid    2 and name O    ) (resid    4 and name N    )    3.30    3.30    0.00
assign (resid    7 and name H    ) (resid   25 and name O    )    2.30    2.30    0.00
assign (resid    7 and name N    ) (resid   25 and name O    )    3.30    3.30    0.00
assign (resid   10 and name H    ) (resid   13 and name O    )    2.30    2.30    0.00
assign (resid   10 and name N    ) (resid   13 and name O    )    3.30    3.30    0.00
assign (resid   15 and name O    ) (resid   19 and name H    )    2.30    2.30    0.00
assign (resid   15 and name O    ) (resid   19 and name N    )    3.30    3.30    0.00
assign (resid    7 and name O    ) (resid   25 and name H    )    2.30    2.30    0.00
assign (resid    7 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   TYR   1           H        TYR   1 -10.753   0.179   0.819
    2    HA   TYR   1           HA       TYR   1 -11.039   2.506   1.904
    3    HB2  TYR   1           2HB      TYR   1  -9.142   0.997   3.713
    4    HB3  TYR   1           1HB      TYR   1  -9.396   2.729   3.736
    5    HD1  TYR   1           1HD      TYR   1 -12.191   3.177   3.840
    6    HD2  TYR   1           2HD      TYR   1  -9.990  -0.031   5.537
    7    HE1  TYR   1           1HE      TYR   1 -13.931   2.892   5.540
    8    HE2  TYR   1           2HE      TYR   1 -11.722  -0.337   7.228
    9    HH   TYR   1           HH       TYR   1 -13.451   1.037   8.304
   10    H    CYS   2           H        CYS   2  -9.569   3.849   0.987
   11    HA   CYS   2           HA       CYS   2  -7.420   2.583  -0.498
   12    HB2  CYS   2           2HB      CYS   2  -8.844   4.081  -1.747
   13    HB3  CYS   2           1HB      CYS   2  -8.506   5.376  -0.579
   14    H    GLN   3           H        GLN   3  -5.430   3.166  -0.299
   15    HA   GLN   3           HA       GLN   3  -4.664   3.892   2.419
   16    HB2  GLN   3           2HB      GLN   3  -3.114   2.588   0.175
   17    HB3  GLN   3           1HB      GLN   3  -2.346   3.118   1.652
   18    HG2  GLN   3           2HG      GLN   3  -2.801   0.690   1.583
   19    HG3  GLN   3           1HG      GLN   3  -3.569   1.475   2.948
   20   HE21  GLN   3          1HE2      GLN   3  -5.759   1.532   3.055
   21   HE22  GLN   3          2HE2      GLN   3  -6.785   0.670   1.962
   22    H    LYS   4           H        LYS   4  -4.475   6.119   2.651
   23    HA   LYS   4           HA       LYS   4  -2.990   7.534   0.586
   24    HB2  LYS   4           2HB      LYS   4  -4.508   8.464   3.031
   25    HB3  LYS   4           1HB      LYS   4  -3.404   9.518   2.166
   26    HG2  LYS   4           2HG      LYS   4  -5.650   9.969   1.479
   27    HG3  LYS   4           1HG      LYS   4  -4.774   9.236   0.125
   28    HD2  LYS   4           2HD      LYS   4  -6.934   8.294   0.119
   29    HD3  LYS   4           1HD      LYS   4  -5.905   7.065   0.851
   30    HE2  LYS   4           2HE      LYS   4  -6.644   7.722   3.067
   31    HE3  LYS   4           1HE      LYS   4  -7.597   9.040   2.387
   32    HZ1  LYS   4           3HZ      LYS   4  -8.918   7.358   1.198
   33    HZ2  LYS   4           1HZ      LYS   4  -9.019   7.169   2.867
   34    HZ3  LYS   4           2HZ      LYS   4  -8.052   6.133   1.985
   35    H    TRP   5           H        TRP   5  -0.960   7.399   0.679
   36    HA   TRP   5           HA       TRP   5   1.116   6.779   1.331
   37    HB2  TRP   5           2HB      TRP   5   0.581   9.213   2.435
   38    HB3  TRP   5           1HB      TRP   5   0.996   8.289   3.880
   39    HD1  TRP   5           HD       TRP   5   3.495   6.705   3.340
   40    HE1  TRP   5           1HE      TRP   5   5.696   7.713   2.406
   41    HE3  TRP   5           3HE      TRP   5   1.678  11.020   1.254
   42    HZ2  TRP   5           2HZ      TRP   5   6.537   9.951   1.021
   43    HZ3  TRP   5           3HZ      TRP   5   3.274  12.537   0.147
   44    HH2  TRP   5           HH       TRP   5   5.650  12.009   0.043
   45    H    MET   6           H        MET   6   1.815   6.703   4.347
   46    HA   MET   6           HA       MET   6   1.656   3.894   4.445
   47    HB2  MET   6           2HB      MET   6   2.597   4.047   6.742
   48    HB3  MET   6           1HB      MET   6   3.518   4.947   5.552
   49    HG2  MET   6           2HG      MET   6   2.469   7.010   6.362
   50    HG3  MET   6           1HG      MET   6   1.597   6.075   7.574
   51    HE1  MET   6           3HE      MET   6   4.528   4.757   9.842
   52    HE2  MET   6           1HE      MET   6   3.832   3.919   8.455
   53    HE3  MET   6           2HE      MET   6   2.786   4.780   9.582
   54    H    TRP   7           H        TRP   7  -0.113   2.901   4.487
   55    HA   TRP   7           HA       TRP   7  -1.848   3.008   6.851
   56    HB2  TRP   7           2HB      TRP   7  -2.724   3.120   3.956
   57    HB3  TRP   7           1HB      TRP   7  -3.762   2.380   5.161
   58    HD1  TRP   7           HD       TRP   7  -1.866   5.680   5.782
   59    HE1  TRP   7           1HE      TRP   7  -3.597   7.584   6.054
   60    HE3  TRP   7           3HE      TRP   7  -6.087   3.100   4.644
   61    HZ2  TRP   7           2HZ      TRP   7  -6.340   7.938   5.814
   62    HZ3  TRP   7           3HZ      TRP   7  -8.248   4.303   4.685
   63    HH2  TRP   7           HH       TRP   7  -8.345   6.691   5.256
   64    H    THR   8           H        THR   8  -3.295   0.877   6.752
   65    HA   THR   8           HA       THR   8  -1.410  -1.226   6.307
   66    HB   THR   8           HB       THR   8  -3.141  -2.564   7.597
   67    HG1  THR   8           1HG      THR   8  -4.986  -1.491   7.615
   68   HG21  THR   8          3HG2      THR   8  -2.471  -1.585   9.761
   69   HG22  THR   8          1HG2      THR   8  -1.915  -0.138   8.921
   70   HG23  THR   8          2HG2      THR   8  -1.108  -1.680   8.647
   71    H    CYS   9           H        CYS   9  -1.866  -3.121   5.146
   72    HA   CYS   9           HA       CYS   9  -3.924  -2.828   3.072
   73    HB2  CYS   9           2HB      CYS   9  -2.404  -4.480   1.854
   74    HB3  CYS   9           1HB      CYS   9  -1.811  -2.833   2.038
   75    H    ASP  10           H        ASP  10  -4.761  -4.898   2.245
   76    HA   ASP  10           HA       ASP  10  -4.905  -7.033   4.245
   77    HB2  ASP  10           2HB      ASP  10  -7.342  -5.947   2.764
   78    HB3  ASP  10           1HB      ASP  10  -7.301  -7.231   3.953
   79    H    SER  11           H        SER  11  -6.330  -8.832   2.924
   80    HA   SER  11           HA       SER  11  -4.834  -9.311   0.556
   81    HB2  SER  11           2HB      SER  11  -5.715 -11.125   2.081
   82    HB3  SER  11           1HB      SER  11  -7.342 -10.737   1.522
   83    HG   SER  11           HG       SER  11  -6.938 -11.630  -0.362
   84    H    GLU  12           H        GLU  12  -8.003  -8.105   1.369
   85    HA   GLU  12           HA       GLU  12  -8.958  -7.811  -1.310
   86    HB2  GLU  12           2HB      GLU  12  -9.727  -6.344   1.208
   87    HB3  GLU  12           1HB      GLU  12 -10.596  -6.265  -0.305
   88    HG2  GLU  12           2HG      GLU  12 -11.195  -8.596  -0.104
   89    HG3  GLU  12           1HG      GLU  12 -10.259  -8.727   1.389
   90    H    ARG  13           H        ARG  13  -7.687  -5.590   1.117
   91    HA   ARG  13           HA       ARG  13  -7.750  -3.280  -0.503
   92    HB2  ARG  13           2HB      ARG  13  -7.049  -3.881   2.226
   93    HB3  ARG  13           1HB      ARG  13  -5.974  -2.694   1.505
   94    HG2  ARG  13           2HG      ARG  13  -7.781  -1.587   2.588
   95    HG3  ARG  13           1HG      ARG  13  -7.860  -1.380   0.848
   96    HD2  ARG  13           2HD      ARG  13 -10.093  -1.831   1.813
   97    HD3  ARG  13           1HD      ARG  13  -9.592  -3.086   0.679
   98    HE   ARG  13           HE       ARG  13  -8.907  -3.696   3.394
   99   HH11  ARG  13          1HH1      ARG  13 -11.564  -3.827   1.046
  100   HH12  ARG  13          2HH1      ARG  13 -12.331  -5.152   1.776
  101   HH21  ARG  13          1HH2      ARG  13 -10.001  -5.498   4.430
  102   HH22  ARG  13          2HH2      ARG  13 -11.397  -6.146   3.699
  103    H    LYS  14           H        LYS  14  -6.539  -2.738  -1.959
  104    HA   LYS  14           HA       LYS  14  -3.734  -3.574  -1.950
  105    HB2  LYS  14           2HB      LYS  14  -5.436  -2.755  -4.312
  106    HB3  LYS  14           1HB      LYS  14  -3.754  -3.272  -4.384
  107    HG2  LYS  14           2HG      LYS  14  -4.410  -5.469  -3.534
  108    HG3  LYS  14           1HG      LYS  14  -6.091  -4.944  -3.509
  109    HD2  LYS  14           2HD      LYS  14  -5.903  -4.502  -5.961
  110    HD3  LYS  14           1HD      LYS  14  -4.294  -5.228  -5.892
  111    HE2  LYS  14           2HE      LYS  14  -5.916  -6.869  -6.619
  112    HE3  LYS  14           1HE      LYS  14  -5.259  -7.297  -5.044
  113    HZ1  LYS  14           3HZ      LYS  14  -7.869  -5.964  -5.503
  114    HZ2  LYS  14           1HZ      LYS  14  -7.274  -6.430  -3.996
  115    HZ3  LYS  14           2HZ      LYS  14  -7.673  -7.590  -5.157
  116    H    CYS  15           H        CYS  15  -2.289  -2.070  -1.855
  117    HA   CYS  15           HA       CYS  15  -3.129   0.451  -0.942
  118    HB2  CYS  15           2HB      CYS  15  -0.368  -0.616  -1.435
  119    HB3  CYS  15           1HB      CYS  15  -0.813   0.783  -0.437
  120    H    CYS  16           H        CYS  16  -3.598   2.059  -1.955
  121    HA   CYS  16           HA       CYS  16  -3.706   2.471  -4.648
  122    HB2  CYS  16           2HB      CYS  16  -3.628   4.570  -2.511
  123    HB3  CYS  16           1HB      CYS  16  -4.398   4.683  -4.090
  124    H    GLU  17           H        GLU  17  -2.706   3.935  -6.036
  125    HA   GLU  17           HA       GLU  17  -1.124   5.176  -7.039
  126    HB2  GLU  17           2HB      GLU  17  -1.342   6.490  -4.858
  127    HB3  GLU  17           1HB      GLU  17   0.097   5.643  -4.320
  128    HG2  GLU  17           2HG      GLU  17   1.303   6.590  -6.270
  129    HG3  GLU  17           1HG      GLU  17  -0.136   7.540  -6.636
  130    H    GLY  18           H        GLY  18  -0.731   2.313  -6.080
  131    HA2  GLY  18           2HA      GLY  18   0.785   0.669  -6.647
  132    HA3  GLY  18           1HA      GLY  18   1.780   1.919  -7.387
  133    H    MET  19           H        MET  19   0.698   1.126  -4.100
  134    HA   MET  19           HA       MET  19   3.481   1.431  -3.257
  135    HB2  MET  19           2HB      MET  19   0.952   1.686  -1.617
  136    HB3  MET  19           1HB      MET  19   2.581   1.794  -0.965
  137    HG2  MET  19           2HG      MET  19   2.999   3.754  -2.358
  138    HG3  MET  19           1HG      MET  19   1.358   3.650  -2.988
  139    HE1  MET  19           3HE      MET  19   2.497   6.260  -1.827
  140    HE2  MET  19           1HE      MET  19   1.205   6.822  -0.765
  141    HE3  MET  19           2HE      MET  19   0.815   6.119  -2.333
  142    H    VAL  20           H        VAL  20   4.418  -0.199  -2.072
  143    HA   VAL  20           HA       VAL  20   3.246  -2.772  -2.525
  144    HB   VAL  20           HB       VAL  20   5.653  -2.438  -2.897
  145   HG11  VAL  20          1HG1      VAL  20   7.233  -2.221  -1.054
  146   HG12  VAL  20          2HG1      VAL  20   5.888  -2.057   0.071
  147   HG13  VAL  20          3HG1      VAL  20   6.154  -0.829  -1.168
  148   HG21  VAL  20          3HG2      VAL  20   5.088  -4.420  -0.696
  149   HG22  VAL  20          1HG2      VAL  20   6.508  -4.437  -1.741
  150   HG23  VAL  20          2HG2      VAL  20   4.904  -4.698  -2.427
  151    H    CYS  21           H        CYS  21   2.371  -4.158  -1.143
  152    HA   CYS  21           HA       CYS  21   1.440  -3.199   1.368
  153    HB2  CYS  21           2HB      CYS  21   0.003  -4.659   0.077
  154    HB3  CYS  21           1HB      CYS  21   1.245  -5.899   0.024
  155    H    ARG  22           H        ARG  22   2.375  -3.319   3.209
  156    HA   ARG  22           HA       ARG  22   4.211  -5.414   3.991
  157    HB2  ARG  22           2HB      ARG  22   5.454  -3.525   2.682
  158    HB3  ARG  22           1HB      ARG  22   5.047  -2.493   4.029
  159    HG2  ARG  22           2HG      ARG  22   7.346  -3.280   4.160
  160    HG3  ARG  22           1HG      ARG  22   6.431  -3.879   5.530
  161    HD2  ARG  22           2HD      ARG  22   6.238  -6.061   4.446
  162    HD3  ARG  22           1HD      ARG  22   7.081  -5.436   3.026
  163    HE   ARG  22           HE       ARG  22   8.791  -4.902   5.025
  164   HH11  ARG  22          1HH1      ARG  22   7.151  -7.933   4.184
  165   HH12  ARG  22          2HH1      ARG  22   8.464  -8.917   4.612
  166   HH21  ARG  22          1HH2      ARG  22  10.579  -6.239   5.593
  167   HH22  ARG  22          2HH2      ARG  22  10.469  -7.927   5.452
  168    H    LEU  23           H        LEU  23   5.014  -3.822   6.349
  169    HA   LEU  23           HA       LEU  23   2.798  -4.029   8.029
  170    HB2  LEU  23           2HB      LEU  23   5.151  -2.139   8.325
  171    HB3  LEU  23           1HB      LEU  23   4.048  -2.596   9.597
  172    HG   LEU  23           HG       LEU  23   5.961  -4.474   8.208
  173   HD11  LEU  23          1HD1      LEU  23   7.172  -4.433  10.338
  174   HD12  LEU  23          2HD1      LEU  23   6.066  -3.193  10.933
  175   HD13  LEU  23          3HD1      LEU  23   7.129  -2.849   9.568
  176   HD21  LEU  23          3HD2      LEU  23   5.357  -6.035   9.999
  177   HD22  LEU  23          1HD2      LEU  23   3.953  -5.611   9.019
  178   HD23  LEU  23          2HD2      LEU  23   4.172  -4.879  10.608
  179    H    TRP  24           H        TRP  24   4.084  -1.335   6.210
  180    HA   TRP  24           HA       TRP  24   1.452  -0.142   6.175
  181    HB2  TRP  24           2HB      TRP  24   3.977   1.230   7.038
  182    HB3  TRP  24           1HB      TRP  24   2.724   2.142   6.221
  183    HD1  TRP  24           HD       TRP  24   0.311   2.248   7.517
  184    HE1  TRP  24           1HE      TRP  24  -0.203   2.272  10.027
  185    HE3  TRP  24           3HE      TRP  24   4.713   0.422   9.177
  186    HZ2  TRP  24           2HZ      TRP  24   1.137   1.597  12.446
  187    HZ3  TRP  24           3HZ      TRP  24   5.060   0.125  11.621
  188    HH2  TRP  24           HH       TRP  24   3.300   0.707  13.209
  189    H    CYS  25           H        CYS  25   0.918   0.351   4.205
  190    HA   CYS  25           HA       CYS  25   2.824   0.060   2.063
  191    HB2  CYS  25           2HB      CYS  25  -0.035   0.982   2.076
  192    HB3  CYS  25           1HB      CYS  25   0.947   0.705   0.640
  193    H    LYS  26           H        LYS  26   4.071   1.671   1.459
  194    HA   LYS  26           HA       LYS  26   3.000   4.346   1.442
  195    HB2  LYS  26           2HB      LYS  26   4.991   5.237   2.645
  196    HB3  LYS  26           1HB      LYS  26   3.856   4.341   3.651
  197    HG2  LYS  26           2HG      LYS  26   5.237   2.449   3.675
  198    HG3  LYS  26           1HG      LYS  26   6.296   3.144   2.444
  199    HD2  LYS  26           2HD      LYS  26   5.914   4.326   5.201
  200    HD3  LYS  26           1HD      LYS  26   7.228   3.221   4.799
  201    HE2  LYS  26           2HE      LYS  26   7.951   4.809   3.027
  202    HE3  LYS  26           1HE      LYS  26   6.693   5.921   3.561
  203    HZ1  LYS  26           3HZ      LYS  26   7.768   6.028   5.720
  204    HZ2  LYS  26           1HZ      LYS  26   8.837   6.474   4.494
  205    HZ3  LYS  26           2HZ      LYS  26   8.954   4.955   5.207
  206    H    LYS  27           H        LYS  27   4.307   5.777   0.223
  207    HA   LYS  27           HA       LYS  27   6.151   4.385  -1.495
  208    HB2  LYS  27           2HB      LYS  27   6.300   6.533  -2.769
  209    HB3  LYS  27           1HB      LYS  27   4.688   5.858  -2.712
  210    HG2  LYS  27           2HG      LYS  27   3.961   7.551  -1.181
  211    HG3  LYS  27           1HG      LYS  27   5.620   8.106  -0.940
  212    HD2  LYS  27           2HD      LYS  27   5.787   8.893  -3.176
  213    HD3  LYS  27           1HD      LYS  27   4.288   8.090  -3.629
  214    HE2  LYS  27           2HE      LYS  27   4.448  10.340  -1.635
  215    HE3  LYS  27           1HE      LYS  27   4.140  10.583  -3.352
  216    HZ1  LYS  27           3HZ      LYS  27   2.036  10.515  -2.315
  217    HZ2  LYS  27           1HZ      LYS  27   2.384   9.121  -1.417
  218    HZ3  LYS  27           2HZ      LYS  27   2.231   9.050  -3.087
  219    H    LYS  28           H        LYS  28   8.279   4.733  -1.440
  220    HA   LYS  28           HA       LYS  28   9.171   5.932   1.028
  221    HB2  LYS  28           2HB      LYS  28  10.693   4.397  -1.070
  222    HB3  LYS  28           1HB      LYS  28  11.371   4.977   0.449
  223    HG2  LYS  28           2HG      LYS  28   9.782   3.579   1.689
  224    HG3  LYS  28           1HG      LYS  28   9.123   2.987   0.166
  225    HD2  LYS  28           2HD      LYS  28  10.675   1.368   1.102
  226    HD3  LYS  28           1HD      LYS  28  11.319   2.036  -0.396
  227    HE2  LYS  28           2HE      LYS  28  13.044   1.844   1.321
  228    HE3  LYS  28           1HE      LYS  28  12.780   3.524   0.879
  229    HZ1  LYS  28           3HZ      LYS  28  12.996   3.184   3.273
  230    HZ2  LYS  28           1HZ      LYS  28  11.672   2.174   3.283
  231    HZ3  LYS  28           2HZ      LYS  28  11.472   3.804   2.934
  232    H    LEU  29           H        LEU  29   9.070   7.967   0.881
  233    HA   LEU  29           HA       LEU  29   9.571  10.103   0.442
  234    HB2  LEU  29           2HB      LEU  29  11.746   8.994  -1.347
  235    HB3  LEU  29           1HB      LEU  29  11.584  10.681  -0.906
  236    HG   LEU  29           HG       LEU  29  12.172   8.416   1.004
  237   HD11  LEU  29          1HD1      LEU  29  14.035   8.868  -0.483
  238   HD12  LEU  29          2HD1      LEU  29  14.394   9.410   1.156
  239   HD13  LEU  29          3HD1      LEU  29  13.954  10.584  -0.085
  240   HD21  LEU  29          3HD2      LEU  29  12.614  10.201   2.627
  241   HD22  LEU  29          1HD2      LEU  29  10.936  10.222   2.085
  242   HD23  LEU  29          2HD2      LEU  29  12.082  11.401   1.449
  243    H    TRP  30           H        TRP  30  10.036  11.567  -1.751
  244    HA   TRP  30           HA       TRP  30   7.610  10.971  -3.263
  245    HB2  TRP  30           2HB      TRP  30   7.998  13.242  -2.180
  246    HB3  TRP  30           1HB      TRP  30   9.288  13.482  -3.346
  247    HD1  TRP  30           HD       TRP  30   8.578  13.850  -5.821
  248    HE1  TRP  30           1HE      TRP  30   6.348  14.692  -6.899
  249    HE3  TRP  30           3HE      TRP  30   5.501  13.173  -1.859
  250    HZ2  TRP  30           2HZ      TRP  30   3.659  15.008  -6.112
  251    HZ3  TRP  30           3HZ      TRP  30   3.120  13.767  -2.069
  252    HH2  TRP  30           HH       TRP  30   2.225  14.665  -4.153
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1 -10.352   6.588   2.752
    2    HA   TYR   1           HA       TYR   1 -11.987   5.908   1.268
    3    HB2  TYR   1           2HB      TYR   1 -11.897   6.734  -1.127
    4    HB3  TYR   1           1HB      TYR   1 -12.442   7.888   0.084
    5    HD1  TYR   1           2HD      TYR   1  -9.682   6.996  -2.206
    6    HD2  TYR   1           1HD      TYR   1 -11.220   9.896   0.494
    7    HE1  TYR   1           2HE      TYR   1  -8.051   8.626  -3.023
    8    HE2  TYR   1           1HE      TYR   1  -9.602  11.533  -0.322
    9    HH   TYR   1           HH       TYR   1  -7.898  11.125  -3.144
   10    H    CYS   2           H        CYS   2  -8.664   6.223   1.028
   11    HA   CYS   2           HA       CYS   2  -8.401   3.458   0.392
   12    HB2  CYS   2           2HB      CYS   2  -8.564   4.465  -1.903
   13    HB3  CYS   2           1HB      CYS   2  -7.167   5.470  -1.539
   14    H    GLN   3           H        GLN   3  -5.840   3.150   0.115
   15    HA   GLN   3           HA       GLN   3  -4.782   4.130   2.609
   16    HB2  GLN   3           2HB      GLN   3  -3.850   2.144   0.561
   17    HB3  GLN   3           1HB      GLN   3  -2.852   2.581   1.917
   18    HG2  GLN   3           2HG      GLN   3  -4.054   0.417   2.135
   19    HG3  GLN   3           1HG      GLN   3  -4.390   1.496   3.463
   20   HE21  GLN   3          1HE2      GLN   3  -6.455   2.321   3.657
   21   HE22  GLN   3          2HE2      GLN   3  -7.796   1.688   2.786
   22    H    LYS   4           H        LYS   4  -4.149   6.181   2.294
   23    HA   LYS   4           HA       LYS   4  -2.430   6.753   0.000
   24    HB2  LYS   4           2HB      LYS   4  -3.921   8.592   1.825
   25    HB3  LYS   4           1HB      LYS   4  -2.850   9.138   0.532
   26    HG2  LYS   4           2HG      LYS   4  -4.297   7.897  -1.074
   27    HG3  LYS   4           1HG      LYS   4  -5.393   7.569   0.266
   28    HD2  LYS   4           2HD      LYS   4  -4.552  10.326  -0.474
   29    HD3  LYS   4           1HD      LYS   4  -5.914   9.548  -1.276
   30    HE2  LYS   4           2HE      LYS   4  -6.831  10.911   0.468
   31    HE3  LYS   4           1HE      LYS   4  -6.942   9.249   1.018
   32    HZ1  LYS   4           3HZ      LYS   4  -5.067   9.631   2.489
   33    HZ2  LYS   4           1HZ      LYS   4  -6.223  10.824   2.712
   34    HZ3  LYS   4           2HZ      LYS   4  -4.837  11.178   1.845
   35    H    TRP   5           H        TRP   5  -0.478   6.664   0.288
   36    HA   TRP   5           HA       TRP   5   1.568   6.345   1.212
   37    HB2  TRP   5           2HB      TRP   5   1.075   8.863   1.722
   38    HB3  TRP   5           1HB      TRP   5   0.830   8.341   3.381
   39    HD1  TRP   5           HD       TRP   5   3.486   6.167   2.859
   40    HE1  TRP   5           1HE      TRP   5   5.822   7.202   3.221
   41    HE3  TRP   5           3HE      TRP   5   2.273  11.127   2.502
   42    HZ2  TRP   5           2HZ      TRP   5   6.983   9.740   3.339
   43    HZ3  TRP   5           3HZ      TRP   5   4.062  12.791   2.748
   44    HH2  TRP   5           HH       TRP   5   6.370  12.110   3.155
   45    H    MET   6           H        MET   6   1.873   6.663   4.266
   46    HA   MET   6           HA       MET   6   1.715   3.869   4.712
   47    HB2  MET   6           2HB      MET   6   2.532   4.337   6.980
   48    HB3  MET   6           1HB      MET   6   3.476   5.129   5.734
   49    HG2  MET   6           2HG      MET   6   2.189   7.222   6.229
   50    HG3  MET   6           1HG      MET   6   1.494   6.380   7.613
   51    HE1  MET   6           3HE      MET   6   5.159   6.394   6.038
   52    HE2  MET   6           1HE      MET   6   5.946   7.532   7.131
   53    HE3  MET   6           2HE      MET   6   4.651   8.079   6.069
   54    H    TRP   7           H        TRP   7   0.006   2.849   4.699
   55    HA   TRP   7           HA       TRP   7  -1.927   3.128   6.895
   56    HB2  TRP   7           2HB      TRP   7  -2.661   2.909   3.951
   57    HB3  TRP   7           1HB      TRP   7  -3.783   2.486   5.219
   58    HD1  TRP   7           HD       TRP   7  -1.662   5.696   4.743
   59    HE1  TRP   7           1HE      TRP   7  -3.262   7.722   4.730
   60    HE3  TRP   7           3HE      TRP   7  -6.067   3.233   5.187
   61    HZ2  TRP   7           2HZ      TRP   7  -6.017   8.197   4.857
   62    HZ3  TRP   7           3HZ      TRP   7  -8.158   4.544   5.204
   63    HH2  TRP   7           HH       TRP   7  -8.109   6.980   5.037
   64    H    THR   8           H        THR   8  -3.417   0.955   6.671
   65    HA   THR   8           HA       THR   8  -1.498  -1.190   6.446
   66    HB   THR   8           HB       THR   8  -3.426  -2.453   7.571
   67    HG1  THR   8           1HG      THR   8  -5.187  -1.363   7.801
   68   HG21  THR   8          3HG2      THR   8  -2.142  -0.107   8.979
   69   HG22  THR   8          1HG2      THR   8  -1.423  -1.702   8.766
   70   HG23  THR   8          2HG2      THR   8  -2.857  -1.508   9.776
   71    H    CYS   9           H        CYS   9  -2.011  -3.174   5.321
   72    HA   CYS   9           HA       CYS   9  -3.998  -2.822   3.210
   73    HB2  CYS   9           2HB      CYS   9  -2.419  -3.990   1.688
   74    HB3  CYS   9           1HB      CYS   9  -1.853  -2.414   2.231
   75    H    ASP  10           H        ASP  10  -4.387  -4.991   2.088
   76    HA   ASP  10           HA       ASP  10  -4.046  -7.358   3.739
   77    HB2  ASP  10           2HB      ASP  10  -6.748  -6.351   2.767
   78    HB3  ASP  10           1HB      ASP  10  -6.454  -7.967   3.371
   79    H    SER  11           H        SER  11  -5.156  -9.210   2.291
   80    HA   SER  11           HA       SER  11  -3.942  -9.097  -0.254
   81    HB2  SER  11           2HB      SER  11  -6.078 -10.972   0.761
   82    HB3  SER  11           1HB      SER  11  -4.995 -11.267  -0.603
   83    HG   SER  11           HG       SER  11  -4.558 -12.042   1.729
   84    H    GLU  12           H        GLU  12  -7.200  -8.525   0.923
   85    HA   GLU  12           HA       GLU  12  -8.286  -8.132  -1.729
   86    HB2  GLU  12           2HB      GLU  12  -9.483  -7.511   0.969
   87    HB3  GLU  12           1HB      GLU  12 -10.335  -7.487  -0.561
   88    HG2  GLU  12           2HG      GLU  12  -9.924  -9.898  -0.795
   89    HG3  GLU  12           1HG      GLU  12  -9.150  -9.892   0.792
   90    H    ARG  13           H        ARG  13  -7.610  -6.185   1.119
   91    HA   ARG  13           HA       ARG  13  -8.270  -3.709  -0.146
   92    HB2  ARG  13           2HB      ARG  13  -8.577  -4.130   2.271
   93    HB3  ARG  13           1HB      ARG  13  -6.833  -4.247   2.450
   94    HG2  ARG  13           2HG      ARG  13  -7.312  -2.101   3.138
   95    HG3  ARG  13           1HG      ARG  13  -6.775  -1.884   1.479
   96    HD2  ARG  13           2HD      ARG  13  -9.601  -1.880   2.520
   97    HD3  ARG  13           1HD      ARG  13  -8.678  -0.501   1.935
   98    HE   ARG  13           HE       ARG  13  -9.927  -2.608   0.401
   99   HH11  ARG  13          1HH1      ARG  13  -7.760   0.180   0.248
  100   HH12  ARG  13          2HH1      ARG  13  -8.251   0.654  -1.319
  101   HH21  ARG  13          1HH2      ARG  13 -10.592  -1.932  -1.775
  102   HH22  ARG  13          2HH2      ARG  13  -9.862  -0.562  -2.472
  103    H    LYS  14           H        LYS  14  -6.987  -2.881  -1.624
  104    HA   LYS  14           HA       LYS  14  -4.095  -3.292  -1.419
  105    HB2  LYS  14           2HB      LYS  14  -5.802  -2.689  -3.834
  106    HB3  LYS  14           1HB      LYS  14  -4.048  -2.802  -3.852
  107    HG2  LYS  14           2HG      LYS  14  -4.157  -5.110  -3.149
  108    HG3  LYS  14           1HG      LYS  14  -5.917  -5.023  -3.062
  109    HD2  LYS  14           2HD      LYS  14  -6.028  -4.626  -5.447
  110    HD3  LYS  14           1HD      LYS  14  -4.270  -4.605  -5.557
  111    HE2  LYS  14           2HE      LYS  14  -5.970  -6.944  -4.697
  112    HE3  LYS  14           1HE      LYS  14  -5.178  -6.766  -6.262
  113    HZ1  LYS  14           3HZ      LYS  14  -3.878  -8.191  -4.830
  114    HZ2  LYS  14           1HZ      LYS  14  -3.786  -7.013  -3.628
  115    HZ3  LYS  14           2HZ      LYS  14  -3.034  -6.779  -5.114
  116    H    CYS  15           H        CYS  15  -2.703  -1.590  -1.833
  117    HA   CYS  15           HA       CYS  15  -3.779   0.926  -0.912
  118    HB2  CYS  15           2HB      CYS  15  -0.936  -0.047  -1.161
  119    HB3  CYS  15           1HB      CYS  15  -1.431   1.447  -0.367
  120    H    CYS  16           H        CYS  16  -4.045   2.618  -2.159
  121    HA   CYS  16           HA       CYS  16  -3.748   2.467  -4.935
  122    HB2  CYS  16           2HB      CYS  16  -4.367   4.821  -3.154
  123    HB3  CYS  16           1HB      CYS  16  -4.485   4.844  -4.911
  124    H    GLU  17           H        GLU  17  -2.657   4.020  -6.315
  125    HA   GLU  17           HA       GLU  17  -0.908   5.039  -7.210
  126    HB2  GLU  17           2HB      GLU  17  -0.997   6.550  -5.176
  127    HB3  GLU  17           1HB      GLU  17   0.188   5.506  -4.407
  128    HG2  GLU  17           2HG      GLU  17   1.786   6.039  -6.170
  129    HG3  GLU  17           1HG      GLU  17   0.592   7.071  -6.943
  130    H    GLY  18           H        GLY  18  -1.045   2.224  -6.237
  131    HA2  GLY  18           2HA      GLY  18   0.203   0.301  -6.439
  132    HA3  GLY  18           1HA      GLY  18   1.342   1.265  -7.373
  133    H    MET  19           H        MET  19   0.308   1.181  -3.982
  134    HA   MET  19           HA       MET  19   3.114   1.486  -3.279
  135    HB2  MET  19           2HB      MET  19   0.602   1.874  -1.675
  136    HB3  MET  19           1HB      MET  19   2.187   1.867  -0.919
  137    HG2  MET  19           2HG      MET  19   2.866   3.723  -2.376
  138    HG3  MET  19           1HG      MET  19   1.251   3.744  -3.080
  139    HE1  MET  19           3HE      MET  19   2.734   6.276  -1.797
  140    HE2  MET  19           1HE      MET  19   1.380   7.020  -0.952
  141    HE3  MET  19           2HE      MET  19   1.146   6.331  -2.558
  142    H    VAL  20           H        VAL  20   4.182   0.164  -1.875
  143    HA   VAL  20           HA       VAL  20   3.389  -2.544  -2.267
  144    HB   VAL  20           HB       VAL  20   5.711  -2.020  -2.682
  145   HG11  VAL  20          1HG1      VAL  20   7.284  -1.364  -0.953
  146   HG12  VAL  20          2HG1      VAL  20   5.967  -1.281   0.209
  147   HG13  VAL  20          3HG1      VAL  20   6.009  -0.157  -1.152
  148   HG21  VAL  20          3HG2      VAL  20   5.266  -4.281  -1.912
  149   HG22  VAL  20          1HG2      VAL  20   5.463  -3.770  -0.236
  150   HG23  VAL  20          2HG2      VAL  20   6.842  -3.742  -1.335
  151    H    CYS  21           H        CYS  21   2.535  -3.872  -1.006
  152    HA   CYS  21           HA       CYS  21   1.311  -3.079   1.440
  153    HB2  CYS  21           2HB      CYS  21   0.318  -4.597  -0.319
  154    HB3  CYS  21           1HB      CYS  21   1.591  -5.729   0.159
  155    H    ARG  22           H        ARG  22   2.301  -3.175   3.342
  156    HA   ARG  22           HA       ARG  22   3.989  -5.349   4.126
  157    HB2  ARG  22           2HB      ARG  22   4.744  -2.587   3.567
  158    HB3  ARG  22           1HB      ARG  22   5.553  -3.316   4.967
  159    HG2  ARG  22           2HG      ARG  22   5.541  -4.216   2.094
  160    HG3  ARG  22           1HG      ARG  22   6.900  -3.399   2.879
  161    HD2  ARG  22           2HD      ARG  22   7.191  -5.309   4.358
  162    HD3  ARG  22           1HD      ARG  22   5.776  -6.101   3.670
  163    HE   ARG  22           HE       ARG  22   7.156  -5.896   1.506
  164   HH11  ARG  22          1HH1      ARG  22   8.485  -6.671   4.715
  165   HH12  ARG  22          2HH1      ARG  22   9.765  -7.590   4.100
  166   HH21  ARG  22          1HH2      ARG  22   8.910  -7.144   0.691
  167   HH22  ARG  22          2HH2      ARG  22  10.018  -7.876   1.763
  168    H    LEU  23           H        LEU  23   4.853  -3.859   6.428
  169    HA   LEU  23           HA       LEU  23   2.804  -4.013   8.304
  170    HB2  LEU  23           2HB      LEU  23   4.990  -1.928   8.265
  171    HB3  LEU  23           1HB      LEU  23   4.090  -2.440   9.671
  172    HG   LEU  23           HG       LEU  23   6.021  -4.164   8.121
  173   HD11  LEU  23          1HD1      LEU  23   7.435  -3.892  10.080
  174   HD12  LEU  23          2HD1      LEU  23   6.263  -2.768  10.769
  175   HD13  LEU  23          3HD1      LEU  23   7.122  -2.352   9.284
  176   HD21  LEU  23          3HD2      LEU  23   5.804  -5.703   9.999
  177   HD22  LEU  23          1HD2      LEU  23   4.242  -5.452   9.224
  178   HD23  LEU  23          2HD2      LEU  23   4.613  -4.637  10.742
  179    H    TRP  24           H        TRP  24   3.920  -1.266   6.477
  180    HA   TRP  24           HA       TRP  24   1.238  -0.162   6.391
  181    HB2  TRP  24           2HB      TRP  24   3.800   1.275   7.071
  182    HB3  TRP  24           1HB      TRP  24   2.484   2.138   6.307
  183    HD1  TRP  24           HD       TRP  24   0.177   2.245   7.756
  184    HE1  TRP  24           1HE      TRP  24  -0.141   2.408  10.332
  185    HE3  TRP  24           3HE      TRP  24   4.750   0.649   9.183
  186    HZ2  TRP  24           2HZ      TRP  24   1.408   1.927  12.652
  187    HZ3  TRP  24           3HZ      TRP  24   5.297   0.529  11.596
  188    HH2  TRP  24           HH       TRP  24   3.643   1.161  13.287
  189    H    CYS  25           H        CYS  25   0.741   0.410   4.348
  190    HA   CYS  25           HA       CYS  25   2.583  -0.136   2.238
  191    HB2  CYS  25           2HB      CYS  25  -0.060   1.313   2.253
  192    HB3  CYS  25           1HB      CYS  25   0.890   1.033   0.799
  193    H    LYS  26           H        LYS  26   3.996   1.151   1.391
  194    HA   LYS  26           HA       LYS  26   3.832   4.015   1.716
  195    HB2  LYS  26           2HB      LYS  26   6.230   2.334   2.523
  196    HB3  LYS  26           1HB      LYS  26   6.223   4.079   2.390
  197    HG2  LYS  26           2HG      LYS  26   4.641   4.208   4.248
  198    HG3  LYS  26           1HG      LYS  26   4.648   2.445   4.376
  199    HD2  LYS  26           2HD      LYS  26   7.036   2.476   4.869
  200    HD3  LYS  26           1HD      LYS  26   7.064   4.228   4.678
  201    HE2  LYS  26           2HE      LYS  26   5.465   4.409   6.556
  202    HE3  LYS  26           1HE      LYS  26   5.575   2.666   6.770
  203    HZ1  LYS  26           3HZ      LYS  26   7.874   2.864   7.322
  204    HZ2  LYS  26           1HZ      LYS  26   7.004   3.932   8.279
  205    HZ3  LYS  26           2HZ      LYS  26   7.890   4.523   6.978
  206    H    LYS  27           H        LYS  27   5.894   4.793   0.466
  207    HA   LYS  27           HA       LYS  27   6.365   3.057  -1.801
  208    HB2  LYS  27           2HB      LYS  27   6.548   5.187  -3.181
  209    HB3  LYS  27           1HB      LYS  27   4.926   4.739  -2.689
  210    HG2  LYS  27           2HG      LYS  27   5.032   6.418  -0.890
  211    HG3  LYS  27           1HG      LYS  27   6.648   6.876  -1.438
  212    HD2  LYS  27           2HD      LYS  27   5.810   7.601  -3.548
  213    HD3  LYS  27           1HD      LYS  27   4.216   6.935  -3.216
  214    HE2  LYS  27           2HE      LYS  27   3.964   8.565  -1.373
  215    HE3  LYS  27           1HE      LYS  27   5.533   9.249  -1.799
  216    HZ1  LYS  27           3HZ      LYS  27   3.271   9.059  -3.702
  217    HZ2  LYS  27           1HZ      LYS  27   4.691   9.923  -3.908
  218    HZ3  LYS  27           2HZ      LYS  27   3.562  10.454  -2.782
  219    H    LYS  28           H        LYS  28   8.453   3.880  -2.924
  220    HA   LYS  28           HA       LYS  28  10.357   4.043  -0.760
  221    HB2  LYS  28           2HB      LYS  28  10.876   3.699  -3.709
  222    HB3  LYS  28           1HB      LYS  28  12.038   3.488  -2.407
  223    HG2  LYS  28           2HG      LYS  28   9.582   1.830  -2.854
  224    HG3  LYS  28           1HG      LYS  28  11.235   1.347  -3.270
  225    HD2  LYS  28           2HD      LYS  28  11.804   1.472  -0.853
  226    HD3  LYS  28           1HD      LYS  28  10.126   1.887  -0.501
  227    HE2  LYS  28           2HE      LYS  28   9.393  -0.249  -1.467
  228    HE3  LYS  28           1HE      LYS  28  11.069  -0.661  -1.815
  229    HZ1  LYS  28           3HZ      LYS  28  10.334  -1.742   0.182
  230    HZ2  LYS  28           1HZ      LYS  28   9.906  -0.277   0.901
  231    HZ3  LYS  28           2HZ      LYS  28  11.517  -0.615   0.565
  232    H    LEU  29           H        LEU  29  10.979   5.848  -0.100
  233    HA   LEU  29           HA       LEU  29  10.918   8.185  -1.831
  234    HB2  LEU  29           2HB      LEU  29  11.152   7.913   1.154
  235    HB3  LEU  29           1HB      LEU  29  11.577   9.405   0.358
  236    HG   LEU  29           HG       LEU  29   9.243   9.616  -0.461
  237   HD11  LEU  29          1HD1      LEU  29   8.685   7.202   1.246
  238   HD12  LEU  29          2HD1      LEU  29   8.622   7.262  -0.512
  239   HD13  LEU  29          3HD1      LEU  29   7.484   8.215   0.445
  240   HD21  LEU  29          3HD2      LEU  29   9.978  10.660   1.615
  241   HD22  LEU  29          1HD2      LEU  29   9.468   9.234   2.510
  242   HD23  LEU  29          2HD2      LEU  29   8.271  10.220   1.663
  243    H    TRP  30           H        TRP  30  12.621   7.746  -3.113
  244    HA   TRP  30           HA       TRP  30  14.724   7.898  -3.885
  245    HB2  TRP  30           2HB      TRP  30  15.377   9.280  -1.272
  246    HB3  TRP  30           1HB      TRP  30  16.328   9.346  -2.750
  247    HD1  TRP  30           HD       TRP  30  13.850  11.254  -0.901
  248    HE1  TRP  30           1HE      TRP  30  12.748  13.072  -2.363
  249    HE3  TRP  30           3HE      TRP  30  15.343   9.623  -5.505
  250    HZ2  TRP  30           2HZ      TRP  30  12.540  13.718  -5.081
  251    HZ3  TRP  30           3HZ      TRP  30  14.636  10.899  -7.487
  252    HH2  TRP  30           HH       TRP  30  13.262  12.901  -7.272
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1 -10.165   1.672   2.425
    2    HA   TYR   1           HA       TYR   1 -11.234   3.542   0.678
    3    HB2  TYR   1           2HB      TYR   1  -9.804   4.578   3.134
    4    HB3  TYR   1           1HB      TYR   1  -9.968   5.504   1.652
    5    HD1  TYR   1           1HD      TYR   1 -12.263   6.124   0.874
    6    HD2  TYR   1           2HD      TYR   1 -11.542   4.516   4.734
    7    HE1  TYR   1           1HE      TYR   1 -14.399   7.013   1.625
    8    HE2  TYR   1           2HE      TYR   1 -13.701   5.393   5.505
    9    HH   TYR   1           HH       TYR   1 -15.252   7.197   4.877
   10    H    CYS   2           H        CYS   2  -9.163   4.869  -0.114
   11    HA   CYS   2           HA       CYS   2  -7.211   2.890  -0.729
   12    HB2  CYS   2           2HB      CYS   2  -7.696   5.687  -1.614
   13    HB3  CYS   2           1HB      CYS   2  -6.095   4.995  -1.838
   14    H    GLN   3           H        GLN   3  -5.053   3.044  -0.370
   15    HA   GLN   3           HA       GLN   3  -4.475   3.901   2.313
   16    HB2  GLN   3           2HB      GLN   3  -3.005   2.229   0.271
   17    HB3  GLN   3           1HB      GLN   3  -2.272   2.706   1.784
   18    HG2  GLN   3           2HG      GLN   3  -3.144   0.391   1.814
   19    HG3  GLN   3           1HG      GLN   3  -3.875   1.405   3.043
   20   HE21  GLN   3          1HE2      GLN   3  -6.029   1.864   2.914
   21   HE22  GLN   3          2HE2      GLN   3  -7.108   1.103   1.824
   22    H    LYS   4           H        LYS   4  -3.988   6.024   2.428
   23    HA   LYS   4           HA       LYS   4  -2.293   7.202   0.348
   24    HB2  LYS   4           2HB      LYS   4  -3.885   8.425   2.583
   25    HB3  LYS   4           1HB      LYS   4  -2.874   9.360   1.475
   26    HG2  LYS   4           2HG      LYS   4  -4.273   8.463  -0.378
   27    HG3  LYS   4           1HG      LYS   4  -5.328   7.747   0.841
   28    HD2  LYS   4           2HD      LYS   4  -4.621  10.628   0.597
   29    HD3  LYS   4           1HD      LYS   4  -6.140   9.929   0.008
   30    HE2  LYS   4           2HE      LYS   4  -6.584   9.208   2.394
   31    HE3  LYS   4           1HE      LYS   4  -5.166  10.138   2.870
   32    HZ1  LYS   4           3HZ      LYS   4  -7.631  11.208   1.621
   33    HZ2  LYS   4           1HZ      LYS   4  -6.252  12.125   1.940
   34    HZ3  LYS   4           2HZ      LYS   4  -7.109  11.461   3.205
   35    H    TRP   5           H        TRP   5  -0.341   7.136   0.662
   36    HA   TRP   5           HA       TRP   5   1.694   6.552   1.573
   37    HB2  TRP   5           2HB      TRP   5   1.038   9.012   2.511
   38    HB3  TRP   5           1HB      TRP   5   1.161   8.145   4.038
   39    HD1  TRP   5           HD       TRP   5   3.742   6.475   3.870
   40    HE1  TRP   5           1HE      TRP   5   6.042   7.528   3.454
   41    HE3  TRP   5           3HE      TRP   5   2.275  10.883   1.722
   42    HZ2  TRP   5           2HZ      TRP   5   7.106   9.885   2.375
   43    HZ3  TRP   5           3HZ      TRP   5   4.007  12.477   1.037
   44    HH2  TRP   5           HH       TRP   5   6.369  11.985   1.356
   45    H    MET   6           H        MET   6   1.990   6.551   4.643
   46    HA   MET   6           HA       MET   6   1.697   3.765   4.908
   47    HB2  MET   6           2HB      MET   6   2.254   4.041   7.310
   48    HB3  MET   6           1HB      MET   6   3.394   4.783   6.206
   49    HG2  MET   6           2HG      MET   6   2.516   6.970   6.718
   50    HG3  MET   6           1HG      MET   6   1.252   6.254   7.721
   51    HE1  MET   6           3HE      MET   6   3.453   8.557   8.611
   52    HE2  MET   6           1HE      MET   6   3.715   8.023  10.268
   53    HE3  MET   6           2HE      MET   6   2.086   8.027   9.588
   54    H    TRP   7           H        TRP   7  -0.029   2.788   4.753
   55    HA   TRP   7           HA       TRP   7  -2.112   3.056   6.832
   56    HB2  TRP   7           2HB      TRP   7  -2.530   2.864   3.854
   57    HB3  TRP   7           1HB      TRP   7  -3.726   2.218   4.958
   58    HD1  TRP   7           HD       TRP   7  -1.928   5.644   4.970
   59    HE1  TRP   7           1HE      TRP   7  -3.750   7.488   4.933
   60    HE3  TRP   7           3HE      TRP   7  -6.033   2.688   4.739
   61    HZ2  TRP   7           2HZ      TRP   7  -6.537   7.638   4.824
   62    HZ3  TRP   7           3HZ      TRP   7  -8.265   3.748   4.662
   63    HH2  TRP   7           HH       TRP   7  -8.489   6.190   4.701
   64    H    THR   8           H        THR   8  -3.608   0.845   6.391
   65    HA   THR   8           HA       THR   8  -1.605  -1.234   6.365
   66    HB   THR   8           HB       THR   8  -3.406  -2.556   7.450
   67    HG1  THR   8           1HG      THR   8  -5.299  -1.655   7.151
   68   HG21  THR   8          3HG2      THR   8  -1.663  -1.501   8.779
   69   HG22  THR   8          1HG2      THR   8  -3.200  -1.442   9.640
   70   HG23  THR   8          2HG2      THR   8  -2.588   0.002   8.831
   71    H    CYS   9           H        CYS   9  -1.817  -3.030   5.013
   72    HA   CYS   9           HA       CYS   9  -3.933  -2.863   2.996
   73    HB2  CYS   9           2HB      CYS   9  -2.383  -4.229   1.568
   74    HB3  CYS   9           1HB      CYS   9  -1.786  -2.614   1.928
   75    H    ASP  10           H        ASP  10  -4.530  -5.058   2.141
   76    HA   ASP  10           HA       ASP  10  -4.421  -7.160   4.183
   77    HB2  ASP  10           2HB      ASP  10  -6.993  -6.107   2.949
   78    HB3  ASP  10           1HB      ASP  10  -6.854  -7.498   3.998
   79    H    SER  11           H        SER  11  -6.146  -8.918   2.920
   80    HA   SER  11           HA       SER  11  -4.829  -9.547   0.484
   81    HB2  SER  11           2HB      SER  11  -7.499 -10.562   1.508
   82    HB3  SER  11           1HB      SER  11  -6.440 -11.365   0.346
   83    HG   SER  11           HG       SER  11  -5.086 -11.926   1.909
   84    H    GLU  12           H        GLU  12  -7.960  -8.258   1.377
   85    HA   GLU  12           HA       GLU  12  -8.860  -7.726  -1.268
   86    HB2  GLU  12           2HB      GLU  12  -9.830  -6.724   1.421
   87    HB3  GLU  12           1HB      GLU  12 -10.640  -6.391  -0.095
   88    HG2  GLU  12           2HG      GLU  12 -11.754  -8.177   1.134
   89    HG3  GLU  12           1HG      GLU  12 -11.108  -8.769  -0.388
   90    H    ARG  13           H        ARG  13  -7.630  -5.732   1.375
   91    HA   ARG  13           HA       ARG  13  -7.584  -3.381  -0.236
   92    HB2  ARG  13           2HB      ARG  13  -6.898  -3.962   2.549
   93    HB3  ARG  13           1HB      ARG  13  -5.970  -2.681   1.787
   94    HG2  ARG  13           2HG      ARG  13  -7.791  -1.684   2.842
   95    HG3  ARG  13           1HG      ARG  13  -8.046  -1.670   1.090
   96    HD2  ARG  13           2HD      ARG  13 -10.115  -2.246   2.329
   97    HD3  ARG  13           1HD      ARG  13  -9.588  -3.512   1.222
   98    HE   ARG  13           HE       ARG  13  -8.525  -4.030   3.773
   99   HH11  ARG  13          1HH1      ARG  13 -11.684  -3.914   2.189
  100   HH12  ARG  13          2HH1      ARG  13 -12.395  -5.112   3.153
  101   HH21  ARG  13          1HH2      ARG  13  -9.496  -5.703   5.124
  102   HH22  ARG  13          2HH2      ARG  13 -11.107  -6.168   4.868
  103    H    LYS  14           H        LYS  14  -6.268  -2.919  -1.586
  104    HA   LYS  14           HA       LYS  14  -3.481  -3.703  -1.235
  105    HB2  LYS  14           2HB      LYS  14  -5.013  -3.560  -3.842
  106    HB3  LYS  14           1HB      LYS  14  -3.257  -3.656  -3.757
  107    HG2  LYS  14           2HG      LYS  14  -3.477  -5.792  -2.521
  108    HG3  LYS  14           1HG      LYS  14  -5.223  -5.704  -2.753
  109    HD2  LYS  14           2HD      LYS  14  -4.928  -5.778  -5.161
  110    HD3  LYS  14           1HD      LYS  14  -3.177  -5.754  -4.968
  111    HE2  LYS  14           2HE      LYS  14  -3.913  -8.016  -5.418
  112    HE3  LYS  14           1HE      LYS  14  -3.299  -7.904  -3.774
  113    HZ1  LYS  14           3HZ      LYS  14  -5.365  -9.200  -4.022
  114    HZ2  LYS  14           1HZ      LYS  14  -6.170  -7.814  -4.505
  115    HZ3  LYS  14           2HZ      LYS  14  -5.560  -7.935  -2.930
  116    H    CYS  15           H        CYS  15  -1.963  -2.172  -1.745
  117    HA   CYS  15           HA       CYS  15  -2.871   0.337  -0.842
  118    HB2  CYS  15           2HB      CYS  15  -0.131  -0.228  -1.885
  119    HB3  CYS  15           1HB      CYS  15  -0.688   0.888  -0.627
  120    H    CYS  16           H        CYS  16  -3.787   1.717  -2.054
  121    HA   CYS  16           HA       CYS  16  -3.771   1.821  -4.863
  122    HB2  CYS  16           2HB      CYS  16  -4.568   3.952  -2.881
  123    HB3  CYS  16           1HB      CYS  16  -4.909   4.023  -4.606
  124    H    GLU  17           H        GLU  17  -3.107   3.723  -6.179
  125    HA   GLU  17           HA       GLU  17  -1.655   5.150  -7.041
  126    HB2  GLU  17           2HB      GLU  17  -2.085   6.356  -4.847
  127    HB3  GLU  17           1HB      GLU  17  -0.625   5.603  -4.234
  128    HG2  GLU  17           2HG      GLU  17  -0.230   7.893  -4.933
  129    HG3  GLU  17           1HG      GLU  17   0.683   6.735  -5.910
  130    H    GLY  18           H        GLY  18  -1.044   2.287  -6.325
  131    HA2  GLY  18           2HA      GLY  18   0.631   0.819  -6.877
  132    HA3  GLY  18           1HA      GLY  18   1.497   2.180  -7.573
  133    H    MET  19           H        MET  19   0.464   1.590  -4.259
  134    HA   MET  19           HA       MET  19   3.219   2.065  -3.423
  135    HB2  MET  19           2HB      MET  19   0.693   2.014  -1.756
  136    HB3  MET  19           1HB      MET  19   2.305   2.335  -1.124
  137    HG2  MET  19           2HG      MET  19   2.431   4.289  -2.659
  138    HG3  MET  19           1HG      MET  19   0.751   3.997  -3.087
  139    HE1  MET  19           3HE      MET  19   1.712   6.788  -2.106
  140    HE2  MET  19           1HE      MET  19   0.489   7.218  -0.912
  141    HE3  MET  19           2HE      MET  19   0.013   6.440  -2.414
  142    H    VAL  20           H        VAL  20   4.055   0.754  -1.570
  143    HA   VAL  20           HA       VAL  20   3.847  -2.040  -2.322
  144    HB   VAL  20           HB       VAL  20   5.568  -0.736  -0.194
  145   HG11  VAL  20          1HG1      VAL  20   6.972  -2.737  -0.376
  146   HG12  VAL  20          2HG1      VAL  20   5.822  -3.434  -1.516
  147   HG13  VAL  20          3HG1      VAL  20   5.334  -3.130   0.150
  148   HG21  VAL  20          3HG2      VAL  20   7.386  -0.826  -1.822
  149   HG22  VAL  20          1HG2      VAL  20   6.066   0.204  -2.374
  150   HG23  VAL  20          2HG2      VAL  20   6.258  -1.417  -3.042
  151    H    CYS  21           H        CYS  21   2.749  -3.549  -1.205
  152    HA   CYS  21           HA       CYS  21   1.347  -2.832   1.213
  153    HB2  CYS  21           2HB      CYS  21   0.161  -4.230  -0.380
  154    HB3  CYS  21           1HB      CYS  21   1.470  -5.402  -0.395
  155    H    ARG  22           H        ARG  22   2.060  -3.213   3.185
  156    HA   ARG  22           HA       ARG  22   3.966  -5.263   3.832
  157    HB2  ARG  22           2HB      ARG  22   5.133  -3.060   2.860
  158    HB3  ARG  22           1HB      ARG  22   4.765  -2.427   4.452
  159    HG2  ARG  22           2HG      ARG  22   7.029  -3.226   4.416
  160    HG3  ARG  22           1HG      ARG  22   6.075  -4.298   5.442
  161    HD2  ARG  22           2HD      ARG  22   5.907  -5.914   3.621
  162    HD3  ARG  22           1HD      ARG  22   6.788  -4.821   2.558
  163    HE   ARG  22           HE       ARG  22   8.349  -5.306   4.817
  164   HH11  ARG  22          1HH1      ARG  22   7.102  -7.114   2.031
  165   HH12  ARG  22          2HH1      ARG  22   8.416  -8.176   1.950
  166   HH21  ARG  22          1HH2      ARG  22  10.173  -6.772   4.704
  167   HH22  ARG  22          2HH2      ARG  22  10.198  -7.972   3.492
  168    H    LEU  23           H        LEU  23   4.606  -3.814   6.342
  169    HA   LEU  23           HA       LEU  23   2.245  -4.264   7.853
  170    HB2  LEU  23           2HB      LEU  23   4.598  -2.492   8.599
  171    HB3  LEU  23           1HB      LEU  23   3.420  -3.165   9.697
  172    HG   LEU  23           HG       LEU  23   5.445  -4.762   8.132
  173   HD11  LEU  23          1HD1      LEU  23   6.480  -3.422   9.875
  174   HD12  LEU  23          2HD1      LEU  23   6.499  -5.132  10.304
  175   HD13  LEU  23          3HD1      LEU  23   5.330  -4.048  11.057
  176   HD21  LEU  23          3HD2      LEU  23   4.717  -6.635   9.543
  177   HD22  LEU  23          1HD2      LEU  23   3.398  -6.031   8.541
  178   HD23  LEU  23          2HD2      LEU  23   3.471  -5.613  10.253
  179    H    TRP  24           H        TRP  24   3.739  -1.494   6.396
  180    HA   TRP  24           HA       TRP  24   1.201  -0.079   6.440
  181    HB2  TRP  24           2HB      TRP  24   3.957   1.036   6.940
  182    HB3  TRP  24           1HB      TRP  24   2.635   2.046   6.399
  183    HD1  TRP  24           HD       TRP  24   0.534   2.254   8.149
  184    HE1  TRP  24           1HE      TRP  24   0.568   2.258  10.745
  185    HE3  TRP  24           3HE      TRP  24   5.081   0.149   8.844
  186    HZ2  TRP  24           2HZ      TRP  24   2.361   1.454  12.805
  187    HZ3  TRP  24           3HZ      TRP  24   5.917  -0.208  11.143
  188    HH2  TRP  24           HH       TRP  24   4.568   0.440  13.079
  189    H    CYS  25           H        CYS  25   0.594   0.458   4.490
  190    HA   CYS  25           HA       CYS  25   2.091  -0.087   2.127
  191    HB2  CYS  25           2HB      CYS  25  -0.277   1.731   2.561
  192    HB3  CYS  25           1HB      CYS  25   0.372   1.269   0.996
  193    H    LYS  26           H        LYS  26   3.652   1.164   1.283
  194    HA   LYS  26           HA       LYS  26   3.457   4.027   1.586
  195    HB2  LYS  26           2HB      LYS  26   5.867   2.469   2.518
  196    HB3  LYS  26           1HB      LYS  26   5.968   4.170   2.079
  197    HG2  LYS  26           2HG      LYS  26   4.211   4.643   3.768
  198    HG3  LYS  26           1HG      LYS  26   4.271   2.963   4.243
  199    HD2  LYS  26           2HD      LYS  26   6.671   4.766   4.311
  200    HD3  LYS  26           1HD      LYS  26   5.599   4.535   5.692
  201    HE2  LYS  26           2HE      LYS  26   6.037   2.111   5.533
  202    HE3  LYS  26           1HE      LYS  26   7.218   2.450   4.263
  203    HZ1  LYS  26           3HZ      LYS  26   7.336   3.468   7.048
  204    HZ2  LYS  26           1HZ      LYS  26   8.481   3.775   5.850
  205    HZ3  LYS  26           2HZ      LYS  26   8.265   2.211   6.441
  206    H    LYS  27           H        LYS  27   4.571   5.209   0.074
  207    HA   LYS  27           HA       LYS  27   4.765   3.816  -2.439
  208    HB2  LYS  27           2HB      LYS  27   4.989   6.057  -3.437
  209    HB3  LYS  27           1HB      LYS  27   3.591   5.951  -2.387
  210    HG2  LYS  27           2HG      LYS  27   4.854   7.138  -0.638
  211    HG3  LYS  27           1HG      LYS  27   6.221   7.274  -1.751
  212    HD2  LYS  27           2HD      LYS  27   4.773   8.480  -3.342
  213    HD3  LYS  27           1HD      LYS  27   3.452   8.385  -2.186
  214    HE2  LYS  27           2HE      LYS  27   4.798   9.675  -0.573
  215    HE3  LYS  27           1HE      LYS  27   6.085   9.794  -1.770
  216    HZ1  LYS  27           3HZ      LYS  27   4.759  11.794  -1.774
  217    HZ2  LYS  27           1HZ      LYS  27   3.349  10.931  -2.017
  218    HZ3  LYS  27           2HZ      LYS  27   4.507  10.999  -3.226
  219    H    LYS  28           H        LYS  28   6.587   4.403  -3.927
  220    HA   LYS  28           HA       LYS  28   9.048   3.742  -2.611
  221    HB2  LYS  28           2HB      LYS  28   8.447   4.346  -5.508
  222    HB3  LYS  28           1HB      LYS  28  10.061   3.988  -4.935
  223    HG2  LYS  28           2HG      LYS  28   9.158   2.013  -5.948
  224    HG3  LYS  28           1HG      LYS  28   9.249   1.740  -4.213
  225    HD2  LYS  28           2HD      LYS  28   6.851   2.189  -4.018
  226    HD3  LYS  28           1HD      LYS  28   6.776   2.521  -5.749
  227    HE2  LYS  28           2HE      LYS  28   7.601  -0.116  -4.540
  228    HE3  LYS  28           1HE      LYS  28   5.984   0.249  -5.125
  229    HZ1  LYS  28           3HZ      LYS  28   8.454   0.236  -6.782
  230    HZ2  LYS  28           1HZ      LYS  28   6.894   0.579  -7.327
  231    HZ3  LYS  28           2HZ      LYS  28   7.268  -0.957  -6.754
  232    H    LEU  29           H        LEU  29   9.962   5.230  -1.490
  233    HA   LEU  29           HA       LEU  29  10.305   7.885  -2.660
  234    HB2  LEU  29           2HB      LEU  29  10.309   8.767  -0.314
  235    HB3  LEU  29           1HB      LEU  29   8.774   8.167  -0.889
  236    HG   LEU  29           HG       LEU  29   9.301   6.025   0.417
  237   HD11  LEU  29          1HD1      LEU  29  11.666   6.373   0.811
  238   HD12  LEU  29          2HD1      LEU  29  10.786   6.238   2.333
  239   HD13  LEU  29          3HD1      LEU  29  11.313   7.819   1.758
  240   HD21  LEU  29          3HD2      LEU  29   8.860   8.595   1.901
  241   HD22  LEU  29          1HD2      LEU  29   8.476   6.980   2.494
  242   HD23  LEU  29          2HD2      LEU  29   7.625   7.629   1.090
  243    H    TRP  30           H        TRP  30  12.246   9.012  -2.081
  244    HA   TRP  30           HA       TRP  30  14.406   7.227  -1.197
  245    HB2  TRP  30           2HB      TRP  30  14.525   9.404  -3.300
  246    HB3  TRP  30           1HB      TRP  30  15.930   8.555  -2.689
  247    HD1  TRP  30           HD       TRP  30  13.155   8.304  -5.129
  248    HE1  TRP  30           1HE      TRP  30  13.402   6.137  -6.543
  249    HE3  TRP  30           3HE      TRP  30  16.804   6.011  -2.421
  250    HZ2  TRP  30           2HZ      TRP  30  14.953   3.776  -6.478
  251    HZ3  TRP  30           3HZ      TRP  30  17.615   3.805  -3.147
  252    HH2  TRP  30           HH       TRP  30  16.705   2.716  -5.134
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1 -11.659   2.265   0.233
    2    HA   TYR   1           HA       TYR   1 -10.941   3.960   2.297
    3    HB2  TYR   1           2HB      TYR   1 -10.340   1.053   2.802
    4    HB3  TYR   1           1HB      TYR   1  -9.587   2.377   3.663
    5    HD1  TYR   1           2HD      TYR   1 -10.894   3.703   5.291
    6    HD2  TYR   1           1HD      TYR   1 -12.585   0.324   3.338
    7    HE1  TYR   1           2HE      TYR   1 -12.658   3.624   6.981
    8    HE2  TYR   1           1HE      TYR   1 -14.368   0.233   5.035
    9    HH   TYR   1           HH       TYR   1 -14.952   2.762   7.222
   10    H    CYS   2           H        CYS   2  -9.518   4.945   1.040
   11    HA   CYS   2           HA       CYS   2  -7.651   3.352  -0.519
   12    HB2  CYS   2           2HB      CYS   2  -8.789   5.046  -1.802
   13    HB3  CYS   2           1HB      CYS   2  -8.299   6.287  -0.642
   14    H    GLN   3           H        GLN   3  -5.599   3.642  -0.394
   15    HA   GLN   3           HA       GLN   3  -4.659   4.140   2.310
   16    HB2  GLN   3           2HB      GLN   3  -3.333   2.793  -0.059
   17    HB3  GLN   3           1HB      GLN   3  -2.528   3.078   1.468
   18    HG2  GLN   3           2HG      GLN   3  -3.376   0.743   1.110
   19    HG3  GLN   3           1HG      GLN   3  -3.907   1.484   2.603
   20   HE21  GLN   3          1HE2      GLN   3  -6.038   1.784   2.937
   21   HE22  GLN   3          2HE2      GLN   3  -7.268   1.303   1.823
   22    H    LYS   4           H        LYS   4  -4.192   6.213   2.618
   23    HA   LYS   4           HA       LYS   4  -2.645   7.620   0.571
   24    HB2  LYS   4           2HB      LYS   4  -4.297   8.600   2.864
   25    HB3  LYS   4           1HB      LYS   4  -3.329   9.655   1.824
   26    HG2  LYS   4           2HG      LYS   4  -4.629   8.920  -0.110
   27    HG3  LYS   4           1HG      LYS   4  -5.581   7.868   0.941
   28    HD2  LYS   4           2HD      LYS   4  -5.300  10.792   1.282
   29    HD3  LYS   4           1HD      LYS   4  -6.632  10.057   0.368
   30    HE2  LYS   4           2HE      LYS   4  -5.997   9.641   3.310
   31    HE3  LYS   4           1HE      LYS   4  -7.332  10.578   2.656
   32    HZ1  LYS   4           3HZ      LYS   4  -8.062   8.417   3.376
   33    HZ2  LYS   4           1HZ      LYS   4  -7.022   7.612   2.321
   34    HZ3  LYS   4           2HZ      LYS   4  -8.287   8.562   1.733
   35    H    TRP   5           H        TRP   5  -0.704   7.686   0.828
   36    HA   TRP   5           HA       TRP   5   1.341   7.007   1.603
   37    HB2  TRP   5           2HB      TRP   5   0.671   9.321   2.853
   38    HB3  TRP   5           1HB      TRP   5   0.965   8.287   4.253
   39    HD1  TRP   5           HD       TRP   5   3.556   6.865   4.028
   40    HE1  TRP   5           1HE      TRP   5   5.773   7.907   3.266
   41    HE3  TRP   5           3HE      TRP   5   1.767  11.004   1.589
   42    HZ2  TRP   5           2HZ      TRP   5   6.666  10.139   1.843
   43    HZ3  TRP   5           3HZ      TRP   5   3.386  12.526   0.549
   44    HH2  TRP   5           HH       TRP   5   5.781  12.103   0.677
   45    H    MET   6           H        MET   6   1.767   6.697   4.650
   46    HA   MET   6           HA       MET   6   1.613   3.919   4.600
   47    HB2  MET   6           2HB      MET   6   2.236   3.976   7.008
   48    HB3  MET   6           1HB      MET   6   3.281   4.947   5.986
   49    HG2  MET   6           2HG      MET   6   2.186   6.962   6.783
   50    HG3  MET   6           1HG      MET   6   1.061   5.993   7.735
   51    HE1  MET   6           3HE      MET   6   1.709   7.435   9.913
   52    HE2  MET   6           1HE      MET   6   2.836   8.383   8.940
   53    HE3  MET   6           2HE      MET   6   3.370   7.664  10.458
   54    H    TRP   7           H        TRP   7  -0.173   2.920   4.370
   55    HA   TRP   7           HA       TRP   7  -2.152   3.003   6.543
   56    HB2  TRP   7           2HB      TRP   7  -2.678   3.030   3.580
   57    HB3  TRP   7           1HB      TRP   7  -3.807   2.223   4.656
   58    HD1  TRP   7           HD       TRP   7  -2.111   5.671   5.011
   59    HE1  TRP   7           1HE      TRP   7  -3.964   7.443   5.338
   60    HE3  TRP   7           3HE      TRP   7  -6.166   2.675   4.560
   61    HZ2  TRP   7           2HZ      TRP   7  -6.734   7.547   5.390
   62    HZ3  TRP   7           3HZ      TRP   7  -8.414   3.691   4.753
   63    HH2  TRP   7           HH       TRP   7  -8.666   6.096   5.157
   64    H    THR   8           H        THR   8  -3.421   0.859   6.536
   65    HA   THR   8           HA       THR   8  -1.397  -1.144   6.237
   66    HB   THR   8           HB       THR   8  -3.174  -2.532   7.458
   67    HG1  THR   8           1HG      THR   8  -4.999  -1.527   7.498
   68   HG21  THR   8          3HG2      THR   8  -2.601  -1.529   9.624
   69   HG22  THR   8          1HG2      THR   8  -2.032  -0.078   8.801
   70   HG23  THR   8          2HG2      THR   8  -1.190  -1.610   8.569
   71    H    CYS   9           H        CYS   9  -1.787  -3.089   5.133
   72    HA   CYS   9           HA       CYS   9  -3.812  -2.814   3.055
   73    HB2  CYS   9           2HB      CYS   9  -2.378  -4.402   1.749
   74    HB3  CYS   9           1HB      CYS   9  -1.616  -2.854   2.083
   75    H    ASP  10           H        ASP  10  -4.414  -5.094   2.212
   76    HA   ASP  10           HA       ASP  10  -4.628  -7.087   4.309
   77    HB2  ASP  10           2HB      ASP  10  -7.029  -5.808   2.943
   78    HB3  ASP  10           1HB      ASP  10  -7.078  -7.355   3.765
   79    H    SER  11           H        SER  11  -6.142  -8.891   3.043
   80    HA   SER  11           HA       SER  11  -4.587  -9.506   0.734
   81    HB2  SER  11           2HB      SER  11  -7.046 -10.853   1.874
   82    HB3  SER  11           1HB      SER  11  -5.950 -11.540   0.674
   83    HG   SER  11           HG       SER  11  -4.275 -11.086   2.333
   84    H    GLU  12           H        GLU  12  -7.784  -8.289   1.430
   85    HA   GLU  12           HA       GLU  12  -8.563  -8.176  -1.342
   86    HB2  GLU  12           2HB      GLU  12  -9.797  -6.984   1.134
   87    HB3  GLU  12           1HB      GLU  12 -10.535  -6.958  -0.454
   88    HG2  GLU  12           2HG      GLU  12 -10.689  -9.370  -0.445
   89    HG3  GLU  12           1HG      GLU  12  -9.856  -9.439   1.106
   90    H    ARG  13           H        ARG  13  -7.163  -6.116   1.053
   91    HA   ARG  13           HA       ARG  13  -7.756  -3.699  -0.414
   92    HB2  ARG  13           2HB      ARG  13  -7.792  -3.917   2.103
   93    HB3  ARG  13           1HB      ARG  13  -6.038  -3.959   2.036
   94    HG2  ARG  13           2HG      ARG  13  -6.674  -1.736   2.554
   95    HG3  ARG  13           1HG      ARG  13  -6.123  -1.743   0.882
   96    HD2  ARG  13           2HD      ARG  13  -8.189  -0.425   1.181
   97    HD3  ARG  13           1HD      ARG  13  -8.415  -1.779   0.076
   98    HE   ARG  13           HE       ARG  13  -9.087  -2.632   2.642
   99   HH11  ARG  13          1HH1      ARG  13 -10.321  -0.322   0.301
  100   HH12  ARG  13          2HH1      ARG  13 -11.955  -0.518   0.757
  101   HH21  ARG  13          1HH2      ARG  13 -11.277  -2.908   3.269
  102   HH22  ARG  13          2HH2      ARG  13 -12.533  -2.068   2.484
  103    H    LYS  14           H        LYS  14  -6.541  -3.153  -2.040
  104    HA   LYS  14           HA       LYS  14  -3.671  -3.633  -1.884
  105    HB2  LYS  14           2HB      LYS  14  -3.635  -3.339  -4.363
  106    HB3  LYS  14           1HB      LYS  14  -4.544  -4.734  -3.824
  107    HG2  LYS  14           2HG      LYS  14  -6.617  -3.526  -4.165
  108    HG3  LYS  14           1HG      LYS  14  -5.705  -2.109  -4.708
  109    HD2  LYS  14           2HD      LYS  14  -4.745  -3.467  -6.512
  110    HD3  LYS  14           1HD      LYS  14  -5.722  -4.838  -5.980
  111    HE2  LYS  14           2HE      LYS  14  -6.784  -2.182  -6.802
  112    HE3  LYS  14           1HE      LYS  14  -6.690  -3.577  -7.892
  113    HZ1  LYS  14           3HZ      LYS  14  -8.915  -3.323  -6.933
  114    HZ2  LYS  14           1HZ      LYS  14  -8.300  -3.415  -5.375
  115    HZ3  LYS  14           2HZ      LYS  14  -8.237  -4.751  -6.388
  116    H    CYS  15           H        CYS  15  -2.304  -1.972  -1.998
  117    HA   CYS  15           HA       CYS  15  -3.480   0.466  -1.080
  118    HB2  CYS  15           2HB      CYS  15  -0.621  -0.432  -1.271
  119    HB3  CYS  15           1HB      CYS  15  -1.174   1.039  -0.445
  120    H    CYS  16           H        CYS  16  -3.742   2.265  -2.025
  121    HA   CYS  16           HA       CYS  16  -3.806   2.711  -4.736
  122    HB2  CYS  16           2HB      CYS  16  -3.579   4.810  -2.589
  123    HB3  CYS  16           1HB      CYS  16  -4.276   5.000  -4.189
  124    H    GLU  17           H        GLU  17  -2.681   4.121  -6.108
  125    HA   GLU  17           HA       GLU  17  -1.054   5.206  -7.124
  126    HB2  GLU  17           2HB      GLU  17  -1.306   6.632  -4.973
  127    HB3  GLU  17           1HB      GLU  17   0.203   5.873  -4.475
  128    HG2  GLU  17           2HG      GLU  17   1.382   6.834  -6.322
  129    HG3  GLU  17           1HG      GLU  17  -0.114   7.419  -7.040
  130    H    GLY  18           H        GLY  18  -0.657   2.389  -6.093
  131    HA2  GLY  18           2HA      GLY  18   0.878   0.791  -6.764
  132    HA3  GLY  18           1HA      GLY  18   1.932   2.091  -7.305
  133    H    MET  19           H        MET  19   0.575   1.236  -4.155
  134    HA   MET  19           HA       MET  19   3.255   1.494  -3.034
  135    HB2  MET  19           2HB      MET  19   0.605   1.057  -1.671
  136    HB3  MET  19           1HB      MET  19   2.150   1.262  -0.860
  137    HG2  MET  19           2HG      MET  19   2.311   3.500  -1.627
  138    HG3  MET  19           1HG      MET  19   0.862   3.311  -2.622
  139    HE1  MET  19           3HE      MET  19   1.176   5.705  -0.585
  140    HE2  MET  19           1HE      MET  19  -0.433   5.703   0.128
  141    HE3  MET  19           2HE      MET  19  -0.236   5.419  -1.603
  142    H    VAL  20           H        VAL  20   3.972  -0.226  -1.546
  143    HA   VAL  20           HA       VAL  20   3.121  -2.852  -2.490
  144    HB   VAL  20           HB       VAL  20   5.514  -2.378  -2.756
  145   HG11  VAL  20          1HG1      VAL  20   6.997  -2.105  -0.830
  146   HG12  VAL  20          2HG1      VAL  20   5.584  -1.998   0.216
  147   HG13  VAL  20          3HG1      VAL  20   5.862  -0.764  -1.015
  148   HG21  VAL  20          3HG2      VAL  20   5.015  -4.423  -0.592
  149   HG22  VAL  20          1HG2      VAL  20   6.474  -4.321  -1.579
  150   HG23  VAL  20          2HG2      VAL  20   4.924  -4.688  -2.332
  151    H    CYS  21           H        CYS  21   2.234  -4.324  -1.161
  152    HA   CYS  21           HA       CYS  21   1.131  -3.519   1.348
  153    HB2  CYS  21           2HB      CYS  21   0.077  -5.179  -0.270
  154    HB3  CYS  21           1HB      CYS  21   1.461  -6.194   0.191
  155    H    ARG  22           H        ARG  22   2.342  -3.388   3.077
  156    HA   ARG  22           HA       ARG  22   4.260  -5.433   3.856
  157    HB2  ARG  22           2HB      ARG  22   4.482  -2.597   3.331
  158    HB3  ARG  22           1HB      ARG  22   5.606  -3.249   4.532
  159    HG2  ARG  22           2HG      ARG  22   5.307  -3.880   1.623
  160    HG3  ARG  22           1HG      ARG  22   6.639  -2.934   2.304
  161    HD2  ARG  22           2HD      ARG  22   7.602  -5.042   1.981
  162    HD3  ARG  22           1HD      ARG  22   7.052  -5.081   3.666
  163    HE   ARG  22           HE       ARG  22   5.037  -6.084   2.012
  164   HH11  ARG  22          1HH1      ARG  22   8.240  -7.028   3.189
  165   HH12  ARG  22          2HH1      ARG  22   7.907  -8.705   3.107
  166   HH21  ARG  22          1HH2      ARG  22   4.636  -8.364   1.826
  167   HH22  ARG  22          2HH2      ARG  22   5.839  -9.472   2.296
  168    H    LEU  23           H        LEU  23   5.063  -3.975   6.060
  169    HA   LEU  23           HA       LEU  23   2.635  -3.582   7.589
  170    HB2  LEU  23           2HB      LEU  23   5.559  -3.249   8.360
  171    HB3  LEU  23           1HB      LEU  23   4.251  -2.817   9.432
  172    HG   LEU  23           HG       LEU  23   3.521  -5.217   9.396
  173   HD11  LEU  23          1HD1      LEU  23   4.577  -5.927   7.325
  174   HD12  LEU  23          2HD1      LEU  23   5.076  -6.929   8.687
  175   HD13  LEU  23          3HD1      LEU  23   6.169  -5.702   8.052
  176   HD21  LEU  23          3HD2      LEU  23   4.781  -4.317  11.250
  177   HD22  LEU  23          1HD2      LEU  23   6.296  -4.640  10.407
  178   HD23  LEU  23          2HD2      LEU  23   5.274  -5.979  10.926
  179    H    TRP  24           H        TRP  24   1.645  -1.979   6.631
  180    HA   TRP  24           HA       TRP  24   0.975   0.036   6.135
  181    HB2  TRP  24           2HB      TRP  24   3.490   1.002   7.490
  182    HB3  TRP  24           1HB      TRP  24   2.446   2.088   6.595
  183    HD1  TRP  24           HD       TRP  24   0.000   2.583   7.666
  184    HE1  TRP  24           1HE      TRP  24  -0.837   2.422  10.108
  185    HE3  TRP  24           3HE      TRP  24   3.697  -0.281   9.535
  186    HZ2  TRP  24           2HZ      TRP  24   0.002   1.211  12.522
  187    HZ3  TRP  24           3HZ      TRP  24   3.645  -0.932  11.938
  188    HH2  TRP  24           HH       TRP  24   1.815  -0.186  13.385
  189    H    CYS  25           H        CYS  25   0.721   0.380   4.212
  190    HA   CYS  25           HA       CYS  25   2.717   0.006   2.234
  191    HB2  CYS  25           2HB      CYS  25  -0.064   1.159   2.119
  192    HB3  CYS  25           1HB      CYS  25   0.938   0.852   0.709
  193    H    LYS  26           H        LYS  26   4.223   1.454   1.852
  194    HA   LYS  26           HA       LYS  26   3.555   4.286   2.092
  195    HB2  LYS  26           2HB      LYS  26   6.268   2.921   2.218
  196    HB3  LYS  26           1HB      LYS  26   5.973   4.646   2.316
  197    HG2  LYS  26           2HG      LYS  26   4.885   4.427   4.416
  198    HG3  LYS  26           1HG      LYS  26   4.893   2.672   4.297
  199    HD2  LYS  26           2HD      LYS  26   6.616   3.340   5.842
  200    HD3  LYS  26           1HD      LYS  26   7.375   2.722   4.387
  201    HE2  LYS  26           2HE      LYS  26   6.961   5.669   4.860
  202    HE3  LYS  26           1HE      LYS  26   8.374   4.823   5.471
  203    HZ1  LYS  26           3HZ      LYS  26   7.626   5.152   2.590
  204    HZ2  LYS  26           1HZ      LYS  26   8.920   4.232   3.163
  205    HZ3  LYS  26           2HZ      LYS  26   8.901   5.878   3.397
  206    H    LYS  27           H        LYS  27   4.357   5.540   0.309
  207    HA   LYS  27           HA       LYS  27   4.409   3.878  -2.067
  208    HB2  LYS  27           2HB      LYS  27   3.849   5.917  -3.295
  209    HB3  LYS  27           1HB      LYS  27   2.662   5.523  -2.070
  210    HG2  LYS  27           2HG      LYS  27   3.709   7.234  -0.607
  211    HG3  LYS  27           1HG      LYS  27   4.750   7.678  -1.969
  212    HD2  LYS  27           2HD      LYS  27   2.674   7.960  -3.328
  213    HD3  LYS  27           1HD      LYS  27   1.764   7.760  -1.841
  214    HE2  LYS  27           2HE      LYS  27   2.811   9.719  -0.903
  215    HE3  LYS  27           1HE      LYS  27   3.828   9.882  -2.340
  216    HZ1  LYS  27           3HZ      LYS  27   2.015  11.352  -2.644
  217    HZ2  LYS  27           1HZ      LYS  27   0.889  10.155  -2.181
  218    HZ3  LYS  27           2HZ      LYS  27   1.725   9.993  -3.625
  219    H    LYS  28           H        LYS  28   5.796   4.509  -3.825
  220    HA   LYS  28           HA       LYS  28   8.402   4.849  -2.687
  221    HB2  LYS  28           2HB      LYS  28   9.208   4.089  -4.955
  222    HB3  LYS  28           1HB      LYS  28   8.266   2.930  -4.033
  223    HG2  LYS  28           2HG      LYS  28   6.290   3.520  -5.373
  224    HG3  LYS  28           1HG      LYS  28   7.295   4.601  -6.343
  225    HD2  LYS  28           2HD      LYS  28   8.662   2.707  -7.032
  226    HD3  LYS  28           1HD      LYS  28   7.703   1.630  -6.014
  227    HE2  LYS  28           2HE      LYS  28   6.965   1.442  -8.307
  228    HE3  LYS  28           1HE      LYS  28   5.708   2.198  -7.337
  229    HZ1  LYS  28           3HZ      LYS  28   7.613   3.634  -9.098
  230    HZ2  LYS  28           1HZ      LYS  28   6.397   4.363  -8.213
  231    HZ3  LYS  28           2HZ      LYS  28   6.014   3.321  -9.472
  232    H    LEU  29           H        LEU  29   8.938   6.806  -2.357
  233    HA   LEU  29           HA       LEU  29   8.725   8.789  -4.484
  234    HB2  LEU  29           2HB      LEU  29   9.794   8.980  -1.657
  235    HB3  LEU  29           1HB      LEU  29   9.938  10.277  -2.813
  236    HG   LEU  29           HG       LEU  29   7.413  10.345  -2.896
  237   HD11  LEU  29          1HD1      LEU  29   6.178   9.391  -1.040
  238   HD12  LEU  29          2HD1      LEU  29   7.644   8.596  -0.469
  239   HD13  LEU  29          3HD1      LEU  29   6.940   8.135  -2.019
  240   HD21  LEU  29          3HD2      LEU  29   7.225  11.590  -0.814
  241   HD22  LEU  29          1HD2      LEU  29   8.721  11.967  -1.664
  242   HD23  LEU  29          2HD2      LEU  29   8.750  10.901  -0.259
  243    H    TRP  30           H        TRP  30  10.836   6.544  -3.099
  244    HA   TRP  30           HA       TRP  30  13.212   7.759  -4.295
  245    HB2  TRP  30           2HB      TRP  30  13.071   5.192  -2.709
  246    HB3  TRP  30           1HB      TRP  30  14.499   6.154  -3.047
  247    HD1  TRP  30           HD       TRP  30  12.850   5.253  -0.204
  248    HE1  TRP  30           1HE      TRP  30  12.636   7.080   1.600
  249    HE3  TRP  30           3HE      TRP  30  13.763   9.389  -3.071
  250    HZ2  TRP  30           2HZ      TRP  30  12.820   9.857   1.797
  251    HZ3  TRP  30           3HZ      TRP  30  13.718  11.596  -1.985
  252    HH2  TRP  30           HH       TRP  30  13.255  11.821   0.394
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1 -11.771   4.590   1.383
    2    HA   TYR   1           HA       TYR   1 -10.420   2.908   3.362
    3    HB2  TYR   1           2HB      TYR   1 -11.886   2.194   0.822
    4    HB3  TYR   1           1HB      TYR   1 -11.085   1.051   1.885
    5    HD1  TYR   1           1HD      TYR   1 -12.009   0.696   4.194
    6    HD2  TYR   1           2HD      TYR   1 -14.068   2.951   1.240
    7    HE1  TYR   1           1HE      TYR   1 -14.096   0.409   5.439
    8    HE2  TYR   1           2HE      TYR   1 -16.152   2.681   2.473
    9    HH   TYR   1           HH       TYR   1 -16.319   1.582   5.634
   10    H    CYS   2           H        CYS   2  -9.533   5.045   1.344
   11    HA   CYS   2           HA       CYS   2  -7.699   3.448  -0.247
   12    HB2  CYS   2           2HB      CYS   2  -8.753   5.113  -1.497
   13    HB3  CYS   2           1HB      CYS   2  -8.343   6.377  -0.317
   14    H    GLN   3           H        GLN   3  -5.681   3.561  -0.125
   15    HA   GLN   3           HA       GLN   3  -4.610   4.184   2.503
   16    HB2  GLN   3           2HB      GLN   3  -3.433   2.628   0.186
   17    HB3  GLN   3           1HB      GLN   3  -2.529   3.015   1.632
   18    HG2  GLN   3           2HG      GLN   3  -3.403   0.697   1.570
   19    HG3  GLN   3           1HG      GLN   3  -3.932   1.582   2.982
   20   HE21  GLN   3          1HE2      GLN   3  -6.073   2.052   3.206
   21   HE22  GLN   3          2HE2      GLN   3  -7.304   1.397   2.202
   22    H    LYS   4           H        LYS   4  -4.201   6.331   2.559
   23    HA   LYS   4           HA       LYS   4  -2.544   7.427   0.416
   24    HB2  LYS   4           2HB      LYS   4  -4.131   8.756   2.590
   25    HB3  LYS   4           1HB      LYS   4  -3.086   9.643   1.464
   26    HG2  LYS   4           2HG      LYS   4  -4.535   8.569  -0.363
   27    HG3  LYS   4           1HG      LYS   4  -5.646   8.162   0.946
   28    HD2  LYS   4           2HD      LYS   4  -4.640  10.907   0.290
   29    HD3  LYS   4           1HD      LYS   4  -6.216  10.276  -0.188
   30    HE2  LYS   4           2HE      LYS   4  -6.886  10.107   2.129
   31    HE3  LYS   4           1HE      LYS   4  -5.274  10.572   2.670
   32    HZ1  LYS   4           3HZ      LYS   4  -5.604  12.712   1.550
   33    HZ2  LYS   4           1HZ      LYS   4  -6.724  12.463   2.772
   34    HZ3  LYS   4           2HZ      LYS   4  -7.176  12.295   1.162
   35    H    TRP   5           H        TRP   5  -0.537   7.355   0.700
   36    HA   TRP   5           HA       TRP   5   1.488   6.929   1.603
   37    HB2  TRP   5           2HB      TRP   5   1.105   9.297   2.364
   38    HB3  TRP   5           1HB      TRP   5   0.482   8.684   3.886
   39    HD1  TRP   5           HD       TRP   5   3.628   7.111   2.358
   40    HE1  TRP   5           1HE      TRP   5   5.657   7.731   3.828
   41    HE3  TRP   5           3HE      TRP   5   1.364  10.433   5.476
   42    HZ2  TRP   5           2HZ      TRP   5   6.211   9.409   6.027
   43    HZ3  TRP   5           3HZ      TRP   5   2.702  11.511   7.251
   44    HH2  TRP   5           HH       TRP   5   5.081  11.001   7.512
   45    H    MET   6           H        MET   6   1.951   6.676   4.618
   46    HA   MET   6           HA       MET   6   1.718   3.916   4.690
   47    HB2  MET   6           2HB      MET   6   2.427   4.127   7.097
   48    HB3  MET   6           1HB      MET   6   3.478   4.906   5.925
   49    HG2  MET   6           2HG      MET   6   2.426   7.064   6.517
   50    HG3  MET   6           1HG      MET   6   1.472   6.221   7.739
   51    HE1  MET   6           3HE      MET   6   4.093   8.253   9.832
   52    HE2  MET   6           1HE      MET   6   2.382   7.956   9.537
   53    HE3  MET   6           2HE      MET   6   3.363   8.747   8.305
   54    H    TRP   7           H        TRP   7  -0.046   2.910   4.595
   55    HA   TRP   7           HA       TRP   7  -2.020   3.124   6.768
   56    HB2  TRP   7           2HB      TRP   7  -2.582   3.121   3.814
   57    HB3  TRP   7           1HB      TRP   7  -3.727   2.404   4.933
   58    HD1  TRP   7           HD       TRP   7  -1.871   5.782   5.133
   59    HE1  TRP   7           1HE      TRP   7  -3.639   7.645   5.406
   60    HE3  TRP   7           3HE      TRP   7  -6.045   2.927   4.876
   61    HZ2  TRP   7           2HZ      TRP   7  -6.438   7.857   5.461
   62    HZ3  TRP   7           3HZ      TRP   7  -8.250   4.027   5.022
   63    HH2  TRP   7           HH       TRP   7  -8.414   6.459   5.303
   64    H    THR   8           H        THR   8  -3.420   1.094   6.737
   65    HA   THR   8           HA       THR   8  -1.600  -1.091   6.727
   66    HB   THR   8           HB       THR   8  -3.786  -2.265   7.548
   67    HG1  THR   8           1HG      THR   8  -5.231  -0.619   6.887
   68   HG21  THR   8          3HG2      THR   8  -2.489  -0.017   9.113
   69   HG22  THR   8          1HG2      THR   8  -1.885  -1.669   8.998
   70   HG23  THR   8          2HG2      THR   8  -3.413  -1.346   9.813
   71    H    CYS   9           H        CYS   9  -1.852  -3.063   5.508
   72    HA   CYS   9           HA       CYS   9  -3.584  -2.725   3.164
   73    HB2  CYS   9           2HB      CYS   9  -2.000  -4.038   1.860
   74    HB3  CYS   9           1HB      CYS   9  -1.249  -2.592   2.512
   75    H    ASP  10           H        ASP  10  -4.286  -4.715   2.171
   76    HA   ASP  10           HA       ASP  10  -4.251  -7.067   3.868
   77    HB2  ASP  10           2HB      ASP  10  -6.717  -5.707   2.746
   78    HB3  ASP  10           1HB      ASP  10  -6.699  -7.423   3.107
   79    H    SER  11           H        SER  11  -5.422  -8.835   2.344
   80    HA   SER  11           HA       SER  11  -3.789  -8.859   0.006
   81    HB2  SER  11           2HB      SER  11  -4.348 -10.927   1.317
   82    HB3  SER  11           1HB      SER  11  -6.026 -10.755   0.808
   83    HG   SER  11           HG       SER  11  -3.744 -11.351  -0.699
   84    H    GLU  12           H        GLU  12  -7.225  -8.521   0.753
   85    HA   GLU  12           HA       GLU  12  -8.022  -8.122  -1.946
   86    HB2  GLU  12           2HB      GLU  12  -9.401  -7.548   0.663
   87    HB3  GLU  12           1HB      GLU  12 -10.165  -7.330  -0.903
   88    HG2  GLU  12           2HG      GLU  12  -9.152  -9.911   0.270
   89    HG3  GLU  12           1HG      GLU  12 -10.838  -9.432   0.072
   90    H    ARG  13           H        ARG  13  -7.469  -5.970   0.804
   91    HA   ARG  13           HA       ARG  13  -8.149  -3.634  -0.707
   92    HB2  ARG  13           2HB      ARG  13  -8.419  -3.905   1.804
   93    HB3  ARG  13           1HB      ARG  13  -6.676  -3.725   1.921
   94    HG2  ARG  13           2HG      ARG  13  -7.648  -1.606   2.394
   95    HG3  ARG  13           1HG      ARG  13  -6.901  -1.506   0.802
   96    HD2  ARG  13           2HD      ARG  13  -9.108  -0.435   0.830
   97    HD3  ARG  13           1HD      ARG  13  -9.088  -1.818  -0.263
   98    HE   ARG  13           HE       ARG  13  -9.931  -2.763   2.189
   99   HH11  ARG  13          1HH1      ARG  13 -11.186  -0.458  -0.191
  100   HH12  ARG  13          2HH1      ARG  13 -12.808  -0.708   0.269
  101   HH21  ARG  13          1HH2      ARG  13 -12.096  -3.058   2.785
  102   HH22  ARG  13          2HH2      ARG  13 -13.354  -2.184   2.020
  103    H    LYS  14           H        LYS  14  -6.876  -2.865  -2.192
  104    HA   LYS  14           HA       LYS  14  -4.002  -3.364  -2.133
  105    HB2  LYS  14           2HB      LYS  14  -5.833  -2.356  -4.315
  106    HB3  LYS  14           1HB      LYS  14  -4.090  -2.455  -4.477
  107    HG2  LYS  14           2HG      LYS  14  -5.935  -4.793  -3.999
  108    HG3  LYS  14           1HG      LYS  14  -5.238  -4.332  -5.553
  109    HD2  LYS  14           2HD      LYS  14  -2.969  -4.627  -4.522
  110    HD3  LYS  14           1HD      LYS  14  -3.769  -5.273  -3.090
  111    HE2  LYS  14           2HE      LYS  14  -3.965  -6.402  -5.876
  112    HE3  LYS  14           1HE      LYS  14  -2.960  -7.052  -4.593
  113    HZ1  LYS  14           3HZ      LYS  14  -5.932  -6.935  -4.617
  114    HZ2  LYS  14           1HZ      LYS  14  -5.016  -7.523  -3.322
  115    HZ3  LYS  14           2HZ      LYS  14  -4.985  -8.289  -4.800
  116    H    CYS  15           H        CYS  15  -2.590  -1.819  -1.794
  117    HA   CYS  15           HA       CYS  15  -3.525   0.655  -0.779
  118    HB2  CYS  15           2HB      CYS  15  -0.778  -0.467  -1.207
  119    HB3  CYS  15           1HB      CYS  15  -1.107   1.050  -0.338
  120    H    CYS  16           H        CYS  16  -3.861   2.405  -1.808
  121    HA   CYS  16           HA       CYS  16  -3.962   2.832  -4.494
  122    HB2  CYS  16           2HB      CYS  16  -3.605   4.875  -2.325
  123    HB3  CYS  16           1HB      CYS  16  -4.274   5.188  -3.921
  124    H    GLU  17           H        GLU  17  -2.789   3.884  -6.036
  125    HA   GLU  17           HA       GLU  17  -1.130   4.783  -7.190
  126    HB2  GLU  17           2HB      GLU  17  -0.898   6.360  -5.184
  127    HB3  GLU  17           1HB      GLU  17   0.403   5.320  -4.625
  128    HG2  GLU  17           2HG      GLU  17   1.563   5.754  -6.808
  129    HG3  GLU  17           1HG      GLU  17   0.316   6.944  -7.157
  130    H    GLY  18           H        GLY  18  -1.172   1.998  -5.889
  131    HA2  GLY  18           2HA      GLY  18  -0.039   0.054  -6.425
  132    HA3  GLY  18           1HA      GLY  18   1.064   1.033  -7.381
  133    H    MET  19           H        MET  19   0.231   0.621  -3.974
  134    HA   MET  19           HA       MET  19   3.053   1.026  -3.302
  135    HB2  MET  19           2HB      MET  19   0.660   0.753  -1.494
  136    HB3  MET  19           1HB      MET  19   2.301   1.083  -0.974
  137    HG2  MET  19           2HG      MET  19   2.242   3.199  -2.144
  138    HG3  MET  19           1HG      MET  19   0.598   2.860  -2.686
  139    HE1  MET  19           3HE      MET  19   0.045   5.664  -0.029
  140    HE2  MET  19           1HE      MET  19  -0.241   5.153  -1.693
  141    HE3  MET  19           2HE      MET  19   1.398   5.521  -1.151
  142    H    VAL  20           H        VAL  20   4.015  -0.389  -1.710
  143    HA   VAL  20           HA       VAL  20   3.538  -3.175  -2.354
  144    HB   VAL  20           HB       VAL  20   5.597  -1.990  -0.469
  145   HG11  VAL  20          1HG1      VAL  20   5.268  -4.387  -0.222
  146   HG12  VAL  20          2HG1      VAL  20   6.860  -4.028  -0.889
  147   HG13  VAL  20          3HG1      VAL  20   5.575  -4.613  -1.944
  148   HG21  VAL  20          3HG2      VAL  20   5.885  -0.945  -2.645
  149   HG22  VAL  20          1HG2      VAL  20   5.891  -2.528  -3.422
  150   HG23  VAL  20          2HG2      VAL  20   7.202  -2.076  -2.334
  151    H    CYS  21           H        CYS  21   2.431  -4.522  -1.008
  152    HA   CYS  21           HA       CYS  21   1.214  -3.543   1.400
  153    HB2  CYS  21           2HB      CYS  21   0.227  -5.344  -0.138
  154    HB3  CYS  21           1HB      CYS  21   1.578  -6.311   0.483
  155    H    ARG  22           H        ARG  22   2.202  -3.443   3.254
  156    HA   ARG  22           HA       ARG  22   4.236  -5.315   4.108
  157    HB2  ARG  22           2HB      ARG  22   4.369  -2.460   3.518
  158    HB3  ARG  22           1HB      ARG  22   5.502  -3.099   4.726
  159    HG2  ARG  22           2HG      ARG  22   5.181  -3.880   1.859
  160    HG3  ARG  22           1HG      ARG  22   6.431  -2.745   2.394
  161    HD2  ARG  22           2HD      ARG  22   6.177  -5.654   3.213
  162    HD3  ARG  22           1HD      ARG  22   7.266  -5.052   1.965
  163    HE   ARG  22           HE       ARG  22   7.772  -3.616   4.275
  164   HH11  ARG  22          1HH1      ARG  22   8.138  -6.947   3.117
  165   HH12  ARG  22          2HH1      ARG  22   9.426  -7.311   4.166
  166   HH21  ARG  22          1HH2      ARG  22   9.551  -4.111   5.683
  167   HH22  ARG  22          2HH2      ARG  22  10.275  -5.650   5.641
  168    H    LEU  23           H        LEU  23   4.879  -3.890   6.290
  169    HA   LEU  23           HA       LEU  23   2.349  -3.462   7.644
  170    HB2  LEU  23           2HB      LEU  23   5.175  -3.126   8.697
  171    HB3  LEU  23           1HB      LEU  23   3.719  -2.991   9.660
  172    HG   LEU  23           HG       LEU  23   4.716  -5.492   8.308
  173   HD11  LEU  23          1HD1      LEU  23   6.068  -4.860  10.212
  174   HD12  LEU  23          2HD1      LEU  23   5.104  -6.290  10.577
  175   HD13  LEU  23          3HD1      LEU  23   4.621  -4.716  11.211
  176   HD21  LEU  23          3HD2      LEU  23   2.286  -5.479   8.385
  177   HD22  LEU  23          1HD2      LEU  23   2.330  -5.065  10.101
  178   HD23  LEU  23          2HD2      LEU  23   2.929  -6.630   9.555
  179    H    TRP  24           H        TRP  24   1.473  -1.818   6.734
  180    HA   TRP  24           HA       TRP  24   0.908   0.203   6.235
  181    HB2  TRP  24           2HB      TRP  24   3.352   1.051   7.775
  182    HB3  TRP  24           1HB      TRP  24   2.387   2.208   6.868
  183    HD1  TRP  24           HD       TRP  24  -0.128   2.604   7.692
  184    HE1  TRP  24           1HE      TRP  24  -1.259   2.255  10.005
  185    HE3  TRP  24           3HE      TRP  24   3.406  -0.280   9.800
  186    HZ2  TRP  24           2HZ      TRP  24  -0.652   0.917  12.435
  187    HZ3  TRP  24           3HZ      TRP  24   3.110  -1.084  12.141
  188    HH2  TRP  24           HH       TRP  24   1.112  -0.483  13.416
  189    H    CYS  25           H        CYS  25   0.710   0.339   4.278
  190    HA   CYS  25           HA       CYS  25   2.757  -0.028   2.359
  191    HB2  CYS  25           2HB      CYS  25   0.002   1.153   2.126
  192    HB3  CYS  25           1HB      CYS  25   1.061   0.837   0.761
  193    H    LYS  26           H        LYS  26   3.906   1.402   1.270
  194    HA   LYS  26           HA       LYS  26   3.490   4.239   1.754
  195    HB2  LYS  26           2HB      LYS  26   6.097   2.705   1.847
  196    HB3  LYS  26           1HB      LYS  26   5.971   4.458   1.823
  197    HG2  LYS  26           2HG      LYS  26   5.027   4.537   3.969
  198    HG3  LYS  26           1HG      LYS  26   4.646   2.817   3.954
  199    HD2  LYS  26           2HD      LYS  26   6.553   3.279   5.401
  200    HD3  LYS  26           1HD      LYS  26   7.008   2.285   4.023
  201    HE2  LYS  26           2HE      LYS  26   7.925   4.256   2.899
  202    HE3  LYS  26           1HE      LYS  26   7.448   5.249   4.279
  203    HZ1  LYS  26           3HZ      LYS  26   9.796   4.580   4.330
  204    HZ2  LYS  26           1HZ      LYS  26   9.332   2.968   4.430
  205    HZ3  LYS  26           2HZ      LYS  26   8.943   4.030   5.669
  206    H    LYS  27           H        LYS  27   4.319   5.487   0.002
  207    HA   LYS  27           HA       LYS  27   3.785   4.298  -2.517
  208    HB2  LYS  27           2HB      LYS  27   4.318   6.505  -3.439
  209    HB3  LYS  27           1HB      LYS  27   3.234   6.631  -2.067
  210    HG2  LYS  27           2HG      LYS  27   5.413   7.084  -0.718
  211    HG3  LYS  27           1HG      LYS  27   6.101   7.451  -2.300
  212    HD2  LYS  27           2HD      LYS  27   3.682   8.759  -1.041
  213    HD3  LYS  27           1HD      LYS  27   5.270   9.485  -1.249
  214    HE2  LYS  27           2HE      LYS  27   3.529   8.561  -3.538
  215    HE3  LYS  27           1HE      LYS  27   3.524  10.200  -2.907
  216    HZ1  LYS  27           3HZ      LYS  27   4.884   9.932  -4.856
  217    HZ2  LYS  27           1HZ      LYS  27   5.881   8.830  -4.063
  218    HZ3  LYS  27           2HZ      LYS  27   5.809  10.437  -3.533
  219    H    LYS  28           H        LYS  28   5.366   4.599  -4.410
  220    HA   LYS  28           HA       LYS  28   7.470   2.836  -3.836
  221    HB2  LYS  28           2HB      LYS  28   6.854   4.386  -6.316
  222    HB3  LYS  28           1HB      LYS  28   8.177   3.235  -6.189
  223    HG2  LYS  28           2HG      LYS  28   6.638   1.424  -5.798
  224    HG3  LYS  28           1HG      LYS  28   5.275   2.542  -5.737
  225    HD2  LYS  28           2HD      LYS  28   5.647   3.152  -8.059
  226    HD3  LYS  28           1HD      LYS  28   7.057   2.098  -8.130
  227    HE2  LYS  28           2HE      LYS  28   4.265   1.145  -7.524
  228    HE3  LYS  28           1HE      LYS  28   4.962   1.151  -9.139
  229    HZ1  LYS  28           3HZ      LYS  28   6.662  -0.368  -8.382
  230    HZ2  LYS  28           1HZ      LYS  28   5.146  -1.004  -8.077
  231    HZ3  LYS  28           2HZ      LYS  28   6.031  -0.377  -6.809
  232    H    LEU  29           H        LEU  29   8.582   3.822  -2.330
  233    HA   LEU  29           HA       LEU  29  10.592   5.813  -3.156
  234    HB2  LEU  29           2HB      LEU  29  10.066   4.565  -0.442
  235    HB3  LEU  29           1HB      LEU  29  11.184   5.872  -0.769
  236    HG   LEU  29           HG       LEU  29   8.182   6.053  -1.059
  237   HD11  LEU  29          1HD1      LEU  29   8.840   5.821   1.269
  238   HD12  LEU  29          2HD1      LEU  29   8.269   7.455   0.933
  239   HD13  LEU  29          3HD1      LEU  29   9.997   7.138   1.085
  240   HD21  LEU  29          3HD2      LEU  29   8.581   8.455  -1.284
  241   HD22  LEU  29          1HD2      LEU  29   9.370   7.550  -2.574
  242   HD23  LEU  29          2HD2      LEU  29  10.322   8.176  -1.226
  243    H    TRP  30           H        TRP  30   9.912   2.617  -3.062
  244    HA   TRP  30           HA       TRP  30  12.383   1.679  -3.883
  245    HB2  TRP  30           2HB      TRP  30  12.909   1.822  -1.439
  246    HB3  TRP  30           1HB      TRP  30  11.514   0.805  -1.105
  247    HD1  TRP  30           HD       TRP  30  12.074  -1.674  -0.829
  248    HE1  TRP  30           1HE      TRP  30  13.973  -3.236  -1.602
  249    HE3  TRP  30           3HE      TRP  30  14.754   1.631  -3.680
  250    HZ2  TRP  30           2HZ      TRP  30  16.283  -3.088  -3.215
  251    HZ3  TRP  30           3HZ      TRP  30  16.787   0.835  -4.804
  252    HH2  TRP  30           HH       TRP  30  17.531  -1.481  -4.571
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1 -10.651   4.657   1.396
    2    HA   TYR   1           HA       TYR   1 -11.041   2.119   1.495
    3    HB2  TYR   1           2HB      TYR   1 -12.474   2.261  -0.590
    4    HB3  TYR   1           1HB      TYR   1 -11.022   2.644  -1.496
    5    HD1  TYR   1           2HD      TYR   1  -9.351   0.863  -1.983
    6    HD2  TYR   1           1HD      TYR   1 -12.912   0.011   0.194
    7    HE1  TYR   1           2HE      TYR   1  -8.999  -1.545  -2.347
    8    HE2  TYR   1           1HE      TYR   1 -12.569  -2.380  -0.163
    9    HH   TYR   1           HH       TYR   1  -9.702  -3.740  -1.210
   10    H    CYS   2           H        CYS   2  -9.355   4.444  -0.454
   11    HA   CYS   2           HA       CYS   2  -7.013   2.873  -0.743
   12    HB2  CYS   2           2HB      CYS   2  -7.629   5.700  -1.518
   13    HB3  CYS   2           1HB      CYS   2  -6.045   4.973  -1.745
   14    H    GLN   3           H        GLN   3  -5.024   3.227  -0.096
   15    HA   GLN   3           HA       GLN   3  -4.706   4.008   2.661
   16    HB2  GLN   3           2HB      GLN   3  -3.088   2.581   0.572
   17    HB3  GLN   3           1HB      GLN   3  -2.330   3.053   2.062
   18    HG2  GLN   3           2HG      GLN   3  -3.045   0.666   1.972
   19    HG3  GLN   3           1HG      GLN   3  -3.773   1.528   3.314
   20   HE21  GLN   3          1HE2      GLN   3  -5.951   1.844   3.342
   21   HE22  GLN   3          2HE2      GLN   3  -7.027   1.121   2.220
   22    H    LYS   4           H        LYS   4  -4.350   6.229   2.910
   23    HA   LYS   4           HA       LYS   4  -2.881   7.698   0.852
   24    HB2  LYS   4           2HB      LYS   4  -3.775   8.626   3.606
   25    HB3  LYS   4           1HB      LYS   4  -3.072   9.648   2.377
   26    HG2  LYS   4           2HG      LYS   4  -5.360  10.121   2.403
   27    HG3  LYS   4           1HG      LYS   4  -5.124   9.120   0.973
   28    HD2  LYS   4           2HD      LYS   4  -5.969   7.189   2.179
   29    HD3  LYS   4           1HD      LYS   4  -6.118   8.149   3.652
   30    HE2  LYS   4           2HE      LYS   4  -8.281   7.925   2.596
   31    HE3  LYS   4           1HE      LYS   4  -7.743   9.595   2.517
   32    HZ1  LYS   4           3HZ      LYS   4  -8.726   8.755   0.442
   33    HZ2  LYS   4           1HZ      LYS   4  -7.445   7.672   0.280
   34    HZ3  LYS   4           2HZ      LYS   4  -7.156   9.326   0.238
   35    H    TRP   5           H        TRP   5  -0.803   7.453   0.777
   36    HA   TRP   5           HA       TRP   5   1.309   6.753   1.350
   37    HB2  TRP   5           2HB      TRP   5   1.284   9.150   2.117
   38    HB3  TRP   5           1HB      TRP   5   0.786   8.607   3.709
   39    HD1  TRP   5           HD       TRP   5   3.617   6.820   1.746
   40    HE1  TRP   5           1HE      TRP   5   5.807   7.109   3.052
   41    HE3  TRP   5           3HE      TRP   5   1.993  10.033   5.354
   42    HZ2  TRP   5           2HZ      TRP   5   6.736   8.501   5.310
   43    HZ3  TRP   5           3HZ      TRP   5   3.606  10.802   7.068
   44    HH2  TRP   5           HH       TRP   5   5.923  10.042   7.036
   45    H    MET   6           H        MET   6   1.865   6.736   4.430
   46    HA   MET   6           HA       MET   6   1.820   3.935   4.535
   47    HB2  MET   6           2HB      MET   6   2.698   4.127   6.853
   48    HB3  MET   6           1HB      MET   6   3.615   5.025   5.656
   49    HG2  MET   6           2HG      MET   6   2.607   7.094   6.432
   50    HG3  MET   6           1HG      MET   6   1.612   6.192   7.577
   51    HE1  MET   6           3HE      MET   6   2.463   7.735   9.560
   52    HE2  MET   6           1HE      MET   6   3.461   8.647   8.428
   53    HE3  MET   6           2HE      MET   6   4.167   8.018   9.918
   54    H    TRP   7           H        TRP   7   0.068   2.881   4.571
   55    HA   TRP   7           HA       TRP   7  -1.692   3.065   6.934
   56    HB2  TRP   7           2HB      TRP   7  -2.594   3.081   4.061
   57    HB3  TRP   7           1HB      TRP   7  -3.609   2.327   5.274
   58    HD1  TRP   7           HD       TRP   7  -1.792   5.712   5.565
   59    HE1  TRP   7           1HE      TRP   7  -3.535   7.554   5.913
   60    HE3  TRP   7           3HE      TRP   7  -5.991   2.893   5.111
   61    HZ2  TRP   7           2HZ      TRP   7  -6.350   7.786   5.973
   62    HZ3  TRP   7           3HZ      TRP   7  -8.177   3.994   5.312
   63    HH2  TRP   7           HH       TRP   7  -8.341   6.410   5.731
   64    H    THR   8           H        THR   8  -3.229   0.950   6.844
   65    HA   THR   8           HA       THR   8  -1.358  -1.211   6.390
   66    HB   THR   8           HB       THR   8  -3.228  -2.462   7.709
   67    HG1  THR   8           1HG      THR   8  -4.090  -0.706   9.212
   68   HG21  THR   8          3HG2      THR   8  -1.518  -0.348   9.034
   69   HG22  THR   8          1HG2      THR   8  -0.968  -1.954   8.561
   70   HG23  THR   8          2HG2      THR   8  -2.185  -1.782   9.817
   71    H    CYS   9           H        CYS   9  -1.916  -3.101   5.230
   72    HA   CYS   9           HA       CYS   9  -4.169  -2.762   3.391
   73    HB2  CYS   9           2HB      CYS   9  -2.730  -3.905   1.725
   74    HB3  CYS   9           1HB      CYS   9  -2.119  -2.331   2.234
   75    H    ASP  10           H        ASP  10  -4.471  -5.002   2.202
   76    HA   ASP  10           HA       ASP  10  -4.332  -7.276   4.011
   77    HB2  ASP  10           2HB      ASP  10  -6.937  -6.160   2.882
   78    HB3  ASP  10           1HB      ASP  10  -6.778  -7.751   3.596
   79    H    SER  11           H        SER  11  -5.965  -8.933   2.442
   80    HA   SER  11           HA       SER  11  -4.371  -9.279   0.123
   81    HB2  SER  11           2HB      SER  11  -7.009 -10.573   0.872
   82    HB3  SER  11           1HB      SER  11  -5.810 -11.209  -0.252
   83    HG   SER  11           HG       SER  11  -4.345 -11.029   1.642
   84    H    GLU  12           H        GLU  12  -7.791  -8.431   0.666
   85    HA   GLU  12           HA       GLU  12  -8.228  -7.621  -2.048
   86    HB2  GLU  12           2HB      GLU  12  -9.855  -7.329   0.463
   87    HB3  GLU  12           1HB      GLU  12 -10.396  -6.759  -1.109
   88    HG2  GLU  12           2HG      GLU  12  -9.669  -9.593  -0.463
   89    HG3  GLU  12           1HG      GLU  12 -11.318  -8.961  -0.508
   90    H    ARG  13           H        ARG  13  -7.224  -6.127   0.864
   91    HA   ARG  13           HA       ARG  13  -7.728  -3.472  -0.153
   92    HB2  ARG  13           2HB      ARG  13  -7.942  -4.062   2.302
   93    HB3  ARG  13           1HB      ARG  13  -6.196  -4.222   2.318
   94    HG2  ARG  13           2HG      ARG  13  -6.685  -2.063   3.122
   95    HG3  ARG  13           1HG      ARG  13  -6.038  -1.899   1.497
   96    HD2  ARG  13           2HD      ARG  13  -7.974  -0.436   1.872
   97    HD3  ARG  13           1HD      ARG  13  -8.247  -1.592   0.574
   98    HE   ARG  13           HE       ARG  13  -9.393  -2.930   2.454
   99   HH11  ARG  13          1HH1      ARG  13  -9.464   0.590   2.195
  100   HH12  ARG  13          2HH1      ARG  13 -11.010   0.713   2.916
  101   HH21  ARG  13          1HH2      ARG  13 -11.525  -2.699   3.408
  102   HH22  ARG  13          2HH2      ARG  13 -12.168  -1.124   3.605
  103    H    LYS  14           H        LYS  14  -6.446  -2.960  -1.679
  104    HA   LYS  14           HA       LYS  14  -3.608  -3.552  -1.404
  105    HB2  LYS  14           2HB      LYS  14  -3.451  -3.312  -3.892
  106    HB3  LYS  14           1HB      LYS  14  -4.377  -4.697  -3.347
  107    HG2  LYS  14           2HG      LYS  14  -6.442  -3.545  -3.868
  108    HG3  LYS  14           1HG      LYS  14  -5.536  -2.105  -4.343
  109    HD2  LYS  14           2HD      LYS  14  -4.445  -3.360  -6.124
  110    HD3  LYS  14           1HD      LYS  14  -5.290  -4.824  -5.618
  111    HE2  LYS  14           2HE      LYS  14  -7.417  -3.818  -6.174
  112    HE3  LYS  14           1HE      LYS  14  -6.622  -2.304  -6.607
  113    HZ1  LYS  14           3HZ      LYS  14  -7.126  -3.593  -8.577
  114    HZ2  LYS  14           1HZ      LYS  14  -6.278  -4.920  -7.981
  115    HZ3  LYS  14           2HZ      LYS  14  -5.469  -3.511  -8.372
  116    H    CYS  15           H        CYS  15  -2.227  -2.005  -1.392
  117    HA   CYS  15           HA       CYS  15  -3.040   0.543  -0.639
  118    HB2  CYS  15           2HB      CYS  15  -0.326  -0.151  -1.679
  119    HB3  CYS  15           1HB      CYS  15  -0.809   0.968  -0.394
  120    H    CYS  16           H        CYS  16  -3.707   2.130  -1.882
  121    HA   CYS  16           HA       CYS  16  -3.657   1.946  -4.700
  122    HB2  CYS  16           2HB      CYS  16  -4.559   4.184  -2.906
  123    HB3  CYS  16           1HB      CYS  16  -4.776   4.184  -4.653
  124    H    GLU  17           H        GLU  17  -2.930   3.622  -6.175
  125    HA   GLU  17           HA       GLU  17  -1.390   4.832  -7.204
  126    HB2  GLU  17           2HB      GLU  17  -1.620   6.396  -5.202
  127    HB3  GLU  17           1HB      GLU  17  -0.250   5.573  -4.479
  128    HG2  GLU  17           2HG      GLU  17   1.195   6.333  -6.264
  129    HG3  GLU  17           1HG      GLU  17  -0.174   7.058  -7.100
  130    H    GLY  18           H        GLY  18  -1.068   2.069  -6.138
  131    HA2  GLY  18           2HA      GLY  18   0.389   0.341  -6.561
  132    HA3  GLY  18           1HA      GLY  18   1.409   1.494  -7.409
  133    H    MET  19           H        MET  19   0.357   1.233  -4.061
  134    HA   MET  19           HA       MET  19   3.132   1.633  -3.267
  135    HB2  MET  19           2HB      MET  19   0.580   1.758  -1.650
  136    HB3  MET  19           1HB      MET  19   2.187   1.991  -0.976
  137    HG2  MET  19           2HG      MET  19   2.477   3.917  -2.474
  138    HG3  MET  19           1HG      MET  19   0.818   3.707  -3.030
  139    HE1  MET  19           3HE      MET  19   1.878   6.453  -1.921
  140    HE2  MET  19           1HE      MET  19   0.561   6.932  -0.850
  141    HE3  MET  19           2HE      MET  19   0.203   6.198  -2.412
  142    H    VAL  20           H        VAL  20   4.045   0.281  -1.607
  143    HA   VAL  20           HA       VAL  20   3.426  -2.458  -2.249
  144    HB   VAL  20           HB       VAL  20   5.784  -1.705  -2.187
  145   HG11  VAL  20          1HG1      VAL  20   5.721  -0.108  -0.387
  146   HG12  VAL  20          2HG1      VAL  20   6.953  -1.329  -0.075
  147   HG13  VAL  20          3HG1      VAL  20   5.411  -1.395   0.779
  148   HG21  VAL  20          3HG2      VAL  20   5.111  -3.863  -0.189
  149   HG22  VAL  20          1HG2      VAL  20   6.710  -3.604  -0.891
  150   HG23  VAL  20          2HG2      VAL  20   5.357  -4.059  -1.922
  151    H    CYS  21           H        CYS  21   2.467  -3.911  -1.040
  152    HA   CYS  21           HA       CYS  21   1.078  -3.030   1.329
  153    HB2  CYS  21           2HB      CYS  21   0.002  -4.447  -0.451
  154    HB3  CYS  21           1HB      CYS  21   1.252  -5.626   0.011
  155    H    ARG  22           H        ARG  22   2.201  -3.033   3.102
  156    HA   ARG  22           HA       ARG  22   3.611  -5.399   3.994
  157    HB2  ARG  22           2HB      ARG  22   4.517  -2.671   3.552
  158    HB3  ARG  22           1HB      ARG  22   5.322  -3.559   4.869
  159    HG2  ARG  22           2HG      ARG  22   5.277  -3.916   1.913
  160    HG3  ARG  22           1HG      ARG  22   6.710  -3.637   2.905
  161    HD2  ARG  22           2HD      ARG  22   5.050  -6.156   2.663
  162    HD3  ARG  22           1HD      ARG  22   6.729  -5.933   2.193
  163    HE   ARG  22           HE       ARG  22   6.966  -5.471   4.739
  164   HH11  ARG  22          1HH1      ARG  22   5.062  -7.993   3.135
  165   HH12  ARG  22          2HH1      ARG  22   5.084  -9.062   4.461
  166   HH21  ARG  22          1HH2      ARG  22   7.005  -6.967   6.564
  167   HH22  ARG  22          2HH2      ARG  22   6.203  -8.460   6.457
  168    H    LEU  23           H        LEU  23   4.521  -3.818   6.292
  169    HA   LEU  23           HA       LEU  23   2.232  -3.898   7.984
  170    HB2  LEU  23           2HB      LEU  23   4.806  -2.349   8.396
  171    HB3  LEU  23           1HB      LEU  23   3.613  -2.683   9.619
  172    HG   LEU  23           HG       LEU  23   5.211  -4.828   8.227
  173   HD11  LEU  23          1HD1      LEU  23   6.470  -4.952  10.321
  174   HD12  LEU  23          2HD1      LEU  23   5.582  -3.553  10.931
  175   HD13  LEU  23          3HD1      LEU  23   6.660  -3.378   9.547
  176   HD21  LEU  23          3HD2      LEU  23   4.388  -6.219  10.077
  177   HD22  LEU  23          1HD2      LEU  23   3.063  -5.586   9.098
  178   HD23  LEU  23          2HD2      LEU  23   3.434  -4.858  10.660
  179    H    TRP  24           H        TRP  24   3.905  -1.406   6.258
  180    HA   TRP  24           HA       TRP  24   1.498   0.212   6.336
  181    HB2  TRP  24           2HB      TRP  24   4.310   1.157   6.827
  182    HB3  TRP  24           1HB      TRP  24   3.087   2.232   6.178
  183    HD1  TRP  24           HD       TRP  24   0.837   2.503   7.855
  184    HE1  TRP  24           1HE      TRP  24   0.837   2.749  10.454
  185    HE3  TRP  24           3HE      TRP  24   5.428   0.576   8.852
  186    HZ2  TRP  24           2HZ      TRP  24   2.579   2.208  12.591
  187    HZ3  TRP  24           3HZ      TRP  24   6.198   0.474  11.192
  188    HH2  TRP  24           HH       TRP  24   4.795   1.280  13.011
  189    H    CYS  25           H        CYS  25   0.844   0.623   4.419
  190    HA   CYS  25           HA       CYS  25   2.244   0.001   2.043
  191    HB2  CYS  25           2HB      CYS  25  -0.069   1.889   2.465
  192    HB3  CYS  25           1HB      CYS  25   0.489   1.232   0.933
  193    H    LYS  26           H        LYS  26   3.754   1.176   1.099
  194    HA   LYS  26           HA       LYS  26   3.693   4.067   1.197
  195    HB2  LYS  26           2HB      LYS  26   6.112   2.377   1.876
  196    HB3  LYS  26           1HB      LYS  26   6.205   4.077   1.462
  197    HG2  LYS  26           2HG      LYS  26   4.883   4.623   3.433
  198    HG3  LYS  26           1HG      LYS  26   4.773   2.909   3.834
  199    HD2  LYS  26           2HD      LYS  26   7.185   2.775   4.068
  200    HD3  LYS  26           1HD      LYS  26   7.345   4.464   3.593
  201    HE2  LYS  26           2HE      LYS  26   6.147   5.168   5.560
  202    HE3  LYS  26           1HE      LYS  26   5.837   3.493   6.013
  203    HZ1  LYS  26           3HZ      LYS  26   8.529   4.741   5.826
  204    HZ2  LYS  26           1HZ      LYS  26   8.191   3.158   6.305
  205    HZ3  LYS  26           2HZ      LYS  26   7.674   4.445   7.246
  206    H    LYS  27           H        LYS  27   5.079   4.886  -0.623
  207    HA   LYS  27           HA       LYS  27   4.595   3.060  -2.799
  208    HB2  LYS  27           2HB      LYS  27   5.000   4.968  -4.287
  209    HB3  LYS  27           1HB      LYS  27   3.725   5.288  -3.131
  210    HG2  LYS  27           2HG      LYS  27   5.466   6.529  -1.781
  211    HG3  LYS  27           1HG      LYS  27   6.510   6.379  -3.201
  212    HD2  LYS  27           2HD      LYS  27   3.783   7.661  -3.129
  213    HD3  LYS  27           1HD      LYS  27   5.324   8.512  -3.215
  214    HE2  LYS  27           2HE      LYS  27   5.762   7.559  -5.401
  215    HE3  LYS  27           1HE      LYS  27   4.300   6.580  -5.297
  216    HZ1  LYS  27           3HZ      LYS  27   2.977   8.563  -5.287
  217    HZ2  LYS  27           1HZ      LYS  27   3.987   8.558  -6.640
  218    HZ3  LYS  27           2HZ      LYS  27   4.372   9.542  -5.349
  219    H    LYS  28           H        LYS  28   6.316   3.454  -4.710
  220    HA   LYS  28           HA       LYS  28   8.502   1.939  -3.696
  221    HB2  LYS  28           2HB      LYS  28   8.062   3.010  -6.480
  222    HB3  LYS  28           1HB      LYS  28   9.268   1.827  -6.019
  223    HG2  LYS  28           2HG      LYS  28   6.270   1.475  -6.031
  224    HG3  LYS  28           1HG      LYS  28   7.449   0.697  -7.081
  225    HD2  LYS  28           2HD      LYS  28   8.402  -0.405  -5.041
  226    HD3  LYS  28           1HD      LYS  28   7.061   0.279  -4.121
  227    HE2  LYS  28           2HE      LYS  28   6.869  -1.635  -6.439
  228    HE3  LYS  28           1HE      LYS  28   6.554  -2.002  -4.746
  229    HZ1  LYS  28           3HZ      LYS  28   4.536  -1.694  -5.984
  230    HZ2  LYS  28           1HZ      LYS  28   4.979  -0.152  -6.462
  231    HZ3  LYS  28           2HZ      LYS  28   4.634  -0.482  -4.837
  232    H    LEU  29           H        LEU  29  10.638   2.421  -3.678
  233    HA   LEU  29           HA       LEU  29  11.389   5.131  -4.367
  234    HB2  LEU  29           2HB      LEU  29  12.970   5.288  -2.499
  235    HB3  LEU  29           1HB      LEU  29  11.338   5.106  -1.922
  236    HG   LEU  29           HG       LEU  29  13.339   2.836  -1.983
  237   HD11  LEU  29          1HD1      LEU  29  12.624   4.718   0.244
  238   HD12  LEU  29          2HD1      LEU  29  14.168   4.644  -0.605
  239   HD13  LEU  29          3HD1      LEU  29  13.647   3.288   0.404
  240   HD21  LEU  29          3HD2      LEU  29  11.841   1.816  -0.342
  241   HD22  LEU  29          1HD2      LEU  29  10.969   2.161  -1.836
  242   HD23  LEU  29          2HD2      LEU  29  10.771   3.214  -0.437
  243    H    TRP  30           H        TRP  30  12.014   4.406  -6.331
  244    HA   TRP  30           HA       TRP  30  14.574   3.009  -6.348
  245    HB2  TRP  30           2HB      TRP  30  12.848   1.259  -6.690
  246    HB3  TRP  30           1HB      TRP  30  12.203   2.178  -8.040
  247    HD1  TRP  30           HD       TRP  30  13.264   1.786 -10.322
  248    HE1  TRP  30           1HE      TRP  30  15.213   0.344 -11.218
  249    HE3  TRP  30           3HE      TRP  30  15.246   0.318  -5.870
  250    HZ2  TRP  30           2HZ      TRP  30  17.311  -1.232 -10.137
  251    HZ3  TRP  30           3HZ      TRP  30  17.215  -1.158  -5.872
  252    HH2  TRP  30           HH       TRP  30  18.223  -1.914  -7.964
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1 -10.256   6.380   1.965
    2    HA   TYR   1           HA       TYR   1 -11.619   4.419   2.059
    3    HB2  TYR   1           2HB      TYR   1 -13.094   5.071   0.218
    4    HB3  TYR   1           1HB      TYR   1 -11.784   4.862  -0.932
    5    HD1  TYR   1           2HD      TYR   1 -14.149   3.092   1.274
    6    HD2  TYR   1           1HD      TYR   1 -11.215   2.690  -1.780
    7    HE1  TYR   1           2HE      TYR   1 -14.843   0.771   0.918
    8    HE2  TYR   1           1HE      TYR   1 -11.890   0.380  -2.146
    9    HH   TYR   1           HH       TYR   1 -13.014  -1.440  -0.869
   10    H    CYS   2           H        CYS   2  -9.239   5.260  -0.349
   11    HA   CYS   2           HA       CYS   2  -8.060   2.641   0.022
   12    HB2  CYS   2           2HB      CYS   2  -8.488   3.404  -2.329
   13    HB3  CYS   2           1HB      CYS   2  -7.306   4.682  -2.096
   14    H    GLN   3           H        GLN   3  -5.600   2.745  -0.200
   15    HA   GLN   3           HA       GLN   3  -4.889   3.794   2.306
   16    HB2  GLN   3           2HB      GLN   3  -3.738   1.810   0.402
   17    HB3  GLN   3           1HB      GLN   3  -2.731   2.418   1.698
   18    HG2  GLN   3           2HG      GLN   3  -3.823   0.285   2.197
   19    HG3  GLN   3           1HG      GLN   3  -4.221   1.519   3.366
   20   HE21  GLN   3          1HE2      GLN   3  -6.042   0.943   4.014
   21   HE22  GLN   3          2HE2      GLN   3  -7.466   0.809   3.059
   22    H    LYS   4           H        LYS   4  -4.178   5.922   2.150
   23    HA   LYS   4           HA       LYS   4  -2.344   6.662   0.001
   24    HB2  LYS   4           2HB      LYS   4  -4.002   8.330   1.854
   25    HB3  LYS   4           1HB      LYS   4  -2.824   8.989   0.722
   26    HG2  LYS   4           2HG      LYS   4  -4.051   8.029  -1.145
   27    HG3  LYS   4           1HG      LYS   4  -5.199   7.320  -0.002
   28    HD2  LYS   4           2HD      LYS   4  -4.614  10.200  -0.037
   29    HD3  LYS   4           1HD      LYS   4  -5.818   9.525  -1.152
   30    HE2  LYS   4           2HE      LYS   4  -5.867   9.320   1.885
   31    HE3  LYS   4           1HE      LYS   4  -6.888  10.377   0.916
   32    HZ1  LYS   4           3HZ      LYS   4  -6.930   7.393   0.843
   33    HZ2  LYS   4           1HZ      LYS   4  -7.842   8.422  -0.132
   34    HZ3  LYS   4           2HZ      LYS   4  -8.095   8.404   1.533
   35    H    TRP   5           H        TRP   5  -0.415   6.525   0.461
   36    HA   TRP   5           HA       TRP   5   1.607   6.340   1.511
   37    HB2  TRP   5           2HB      TRP   5   1.137   8.808   1.864
   38    HB3  TRP   5           1HB      TRP   5   0.488   8.406   3.443
   39    HD1  TRP   5           HD       TRP   5   3.844   6.722   2.312
   40    HE1  TRP   5           1HE      TRP   5   5.713   7.666   3.750
   41    HE3  TRP   5           3HE      TRP   5   1.244  10.398   4.774
   42    HZ2  TRP   5           2HZ      TRP   5   6.092   9.692   5.673
   43    HZ3  TRP   5           3HZ      TRP   5   2.463  11.788   6.411
   44    HH2  TRP   5           HH       TRP   5   4.835  11.433   6.844
   45    H    MET   6           H        MET   6   1.787   6.689   4.564
   46    HA   MET   6           HA       MET   6   1.874   3.944   5.046
   47    HB2  MET   6           2HB      MET   6   2.271   4.549   7.442
   48    HB3  MET   6           1HB      MET   6   3.312   5.377   6.294
   49    HG2  MET   6           2HG      MET   6   1.988   7.400   6.498
   50    HG3  MET   6           1HG      MET   6   0.845   6.575   7.547
   51    HE1  MET   6           3HE      MET   6   4.792   6.336   7.556
   52    HE2  MET   6           1HE      MET   6   5.197   7.589   8.730
   53    HE3  MET   6           2HE      MET   6   4.470   8.029   7.185
   54    H    TRP   7           H        TRP   7   0.141   2.746   4.882
   55    HA   TRP   7           HA       TRP   7  -1.968   2.957   6.925
   56    HB2  TRP   7           2HB      TRP   7  -2.454   2.673   3.942
   57    HB3  TRP   7           1HB      TRP   7  -3.608   2.139   5.142
   58    HD1  TRP   7           HD       TRP   7  -1.798   5.572   4.980
   59    HE1  TRP   7           1HE      TRP   7  -3.591   7.415   4.794
   60    HE3  TRP   7           3HE      TRP   7  -5.965   2.649   4.718
   61    HZ2  TRP   7           2HZ      TRP   7  -6.371   7.601   4.557
   62    HZ3  TRP   7           3HZ      TRP   7  -8.149   3.729   4.492
   63    HH2  TRP   7           HH       TRP   7  -8.345   6.160   4.409
   64    H    THR   8           H        THR   8  -3.221   0.767   6.993
   65    HA   THR   8           HA       THR   8  -1.339  -1.370   6.573
   66    HB   THR   8           HB       THR   8  -3.234  -2.668   7.747
   67    HG1  THR   8           1HG      THR   8  -4.961  -1.347   7.655
   68   HG21  THR   8          3HG2      THR   8  -2.533  -1.852   9.955
   69   HG22  THR   8          1HG2      THR   8  -1.859  -0.410   9.195
   70   HG23  THR   8          2HG2      THR   8  -1.158  -1.988   8.855
   71    H    CYS   9           H        CYS   9  -1.872  -3.262   5.367
   72    HA   CYS   9           HA       CYS   9  -3.966  -2.820   3.361
   73    HB2  CYS   9           2HB      CYS   9  -2.485  -4.180   1.824
   74    HB3  CYS   9           1HB      CYS   9  -1.876  -2.586   2.256
   75    H    ASP  10           H        ASP  10  -4.462  -5.064   2.211
   76    HA   ASP  10           HA       ASP  10  -4.272  -7.406   3.902
   77    HB2  ASP  10           2HB      ASP  10  -6.384  -6.147   4.675
   78    HB3  ASP  10           1HB      ASP  10  -6.979  -6.305   3.026
   79    H    SER  11           H        SER  11  -5.941  -9.025   2.393
   80    HA   SER  11           HA       SER  11  -4.642  -8.984  -0.190
   81    HB2  SER  11           2HB      SER  11  -4.970 -11.143   1.040
   82    HB3  SER  11           1HB      SER  11  -6.711 -10.899   0.964
   83    HG   SER  11           HG       SER  11  -6.648 -11.829  -0.881
   84    H    GLU  12           H        GLU  12  -7.723  -8.325   1.326
   85    HA   GLU  12           HA       GLU  12  -9.176  -7.997  -1.140
   86    HB2  GLU  12           2HB      GLU  12  -9.956  -6.927   1.566
   87    HB3  GLU  12           1HB      GLU  12 -11.001  -7.304   0.209
   88    HG2  GLU  12           2HG      GLU  12  -9.587  -9.201   2.040
   89    HG3  GLU  12           1HG      GLU  12 -11.320  -8.969   1.849
   90    H    ARG  13           H        ARG  13  -7.404  -6.071   1.096
   91    HA   ARG  13           HA       ARG  13  -8.249  -3.594  -0.226
   92    HB2  ARG  13           2HB      ARG  13  -8.746  -3.904   2.205
   93    HB3  ARG  13           1HB      ARG  13  -7.018  -3.974   2.494
   94    HG2  ARG  13           2HG      ARG  13  -7.765  -1.792   3.024
   95    HG3  ARG  13           1HG      ARG  13  -6.826  -1.708   1.544
   96    HD2  ARG  13           2HD      ARG  13  -8.878  -0.331   1.438
   97    HD3  ARG  13           1HD      ARG  13  -8.810  -1.585   0.204
   98    HE   ARG  13           HE       ARG  13 -10.306  -2.884   1.723
   99   HH11  ARG  13          1HH1      ARG  13 -10.349   0.685   1.925
  100   HH12  ARG  13          2HH1      ARG  13 -11.997   0.756   2.246
  101   HH21  ARG  13          1HH2      ARG  13 -12.538  -2.752   2.123
  102   HH22  ARG  13          2HH2      ARG  13 -13.317  -1.257   2.339
  103    H    LYS  14           H        LYS  14  -6.773  -2.907  -1.600
  104    HA   LYS  14           HA       LYS  14  -3.938  -3.485  -1.085
  105    HB2  LYS  14           2HB      LYS  14  -5.346  -3.127  -3.733
  106    HB3  LYS  14           1HB      LYS  14  -3.602  -3.278  -3.551
  107    HG2  LYS  14           2HG      LYS  14  -3.870  -5.499  -2.604
  108    HG3  LYS  14           1HG      LYS  14  -5.623  -5.350  -2.728
  109    HD2  LYS  14           2HD      LYS  14  -5.424  -5.156  -5.160
  110    HD3  LYS  14           1HD      LYS  14  -3.672  -5.313  -5.024
  111    HE2  LYS  14           2HE      LYS  14  -3.900  -7.531  -4.096
  112    HE3  LYS  14           1HE      LYS  14  -5.654  -7.374  -4.079
  113    HZ1  LYS  14           3HZ      LYS  14  -3.933  -7.414  -6.499
  114    HZ2  LYS  14           1HZ      LYS  14  -5.609  -7.209  -6.490
  115    HZ3  LYS  14           2HZ      LYS  14  -4.940  -8.664  -5.965
  116    H    CYS  15           H        CYS  15  -2.422  -1.842  -2.021
  117    HA   CYS  15           HA       CYS  15  -3.508   0.688  -1.127
  118    HB2  CYS  15           2HB      CYS  15  -0.652  -0.279  -1.138
  119    HB3  CYS  15           1HB      CYS  15  -1.244   1.226  -0.417
  120    H    CYS  16           H        CYS  16  -3.820   2.248  -2.426
  121    HA   CYS  16           HA       CYS  16  -3.373   2.018  -5.194
  122    HB2  CYS  16           2HB      CYS  16  -4.336   4.369  -3.575
  123    HB3  CYS  16           1HB      CYS  16  -4.399   4.255  -5.329
  124    H    GLU  17           H        GLU  17  -2.459   3.791  -6.529
  125    HA   GLU  17           HA       GLU  17  -0.891   5.247  -7.212
  126    HB2  GLU  17           2HB      GLU  17  -1.670   6.503  -5.143
  127    HB3  GLU  17           1HB      GLU  17  -0.339   5.768  -4.276
  128    HG2  GLU  17           2HG      GLU  17   1.252   6.945  -5.660
  129    HG3  GLU  17           1HG      GLU  17  -0.051   7.600  -6.651
  130    H    GLY  18           H        GLY  18  -0.431   2.436  -6.468
  131    HA2  GLY  18           2HA      GLY  18   1.275   0.938  -6.831
  132    HA3  GLY  18           1HA      GLY  18   2.309   2.304  -7.222
  133    H    MET  19           H        MET  19   0.580   1.613  -4.216
  134    HA   MET  19           HA       MET  19   3.148   1.881  -2.895
  135    HB2  MET  19           2HB      MET  19   0.358   2.010  -1.769
  136    HB3  MET  19           1HB      MET  19   1.825   2.135  -0.801
  137    HG2  MET  19           2HG      MET  19   2.515   4.073  -2.066
  138    HG3  MET  19           1HG      MET  19   1.052   3.983  -3.041
  139    HE1  MET  19           3HE      MET  19   1.984   6.632  -1.583
  140    HE2  MET  19           1HE      MET  19   0.429   7.197  -0.993
  141    HE3  MET  19           2HE      MET  19   0.550   6.469  -2.595
  142    H    VAL  20           H        VAL  20   4.017   0.420  -1.651
  143    HA   VAL  20           HA       VAL  20   3.306  -2.270  -2.337
  144    HB   VAL  20           HB       VAL  20   5.658  -1.585  -2.368
  145   HG11  VAL  20          1HG1      VAL  20   5.404  -1.218   0.607
  146   HG12  VAL  20          2HG1      VAL  20   5.702   0.040  -0.591
  147   HG13  VAL  20          3HG1      VAL  20   6.921  -1.195  -0.288
  148   HG21  VAL  20          3HG2      VAL  20   6.633  -3.477  -1.108
  149   HG22  VAL  20          1HG2      VAL  20   5.192  -3.946  -2.012
  150   HG23  VAL  20          2HG2      VAL  20   5.095  -3.688  -0.272
  151    H    CYS  21           H        CYS  21   2.277  -3.701  -1.143
  152    HA   CYS  21           HA       CYS  21   1.146  -3.024   1.381
  153    HB2  CYS  21           2HB      CYS  21   0.010  -4.538  -0.217
  154    HB3  CYS  21           1HB      CYS  21   1.339  -5.677  -0.072
  155    H    ARG  22           H        ARG  22   2.227  -3.051   3.197
  156    HA   ARG  22           HA       ARG  22   4.409  -4.950   3.697
  157    HB2  ARG  22           2HB      ARG  22   4.884  -2.481   2.679
  158    HB3  ARG  22           1HB      ARG  22   4.749  -2.068   4.375
  159    HG2  ARG  22           2HG      ARG  22   7.049  -2.357   3.887
  160    HG3  ARG  22           1HG      ARG  22   6.541  -3.766   4.821
  161    HD2  ARG  22           2HD      ARG  22   6.413  -5.110   2.831
  162    HD3  ARG  22           1HD      ARG  22   6.713  -3.702   1.809
  163    HE   ARG  22           HE       ARG  22   8.812  -3.913   3.590
  164   HH11  ARG  22          1HH1      ARG  22   7.532  -5.840   0.881
  165   HH12  ARG  22          2HH1      ARG  22   9.054  -6.479   0.479
  166   HH21  ARG  22          1HH2      ARG  22  10.848  -4.800   3.011
  167   HH22  ARG  22          2HH2      ARG  22  10.985  -5.885   1.701
  168    H    LEU  23           H        LEU  23   5.035  -3.437   6.157
  169    HA   LEU  23           HA       LEU  23   2.802  -4.094   7.815
  170    HB2  LEU  23           2HB      LEU  23   5.158  -2.276   8.427
  171    HB3  LEU  23           1HB      LEU  23   4.036  -2.914   9.600
  172    HG   LEU  23           HG       LEU  23   5.990  -4.544   7.984
  173   HD11  LEU  23          1HD1      LEU  23   7.114  -4.888  10.124
  174   HD12  LEU  23          2HD1      LEU  23   5.962  -3.806  10.905
  175   HD13  LEU  23          3HD1      LEU  23   7.075  -3.179   9.687
  176   HD21  LEU  23          3HD2      LEU  23   5.294  -6.378   9.508
  177   HD22  LEU  23          1HD2      LEU  23   3.999  -5.828   8.441
  178   HD23  LEU  23          2HD2      LEU  23   4.024  -5.321  10.123
  179    H    TRP  24           H        TRP  24   4.101  -1.275   6.295
  180    HA   TRP  24           HA       TRP  24   1.496   0.002   6.445
  181    HB2  TRP  24           2HB      TRP  24   4.191   1.270   6.924
  182    HB3  TRP  24           1HB      TRP  24   2.807   2.213   6.429
  183    HD1  TRP  24           HD       TRP  24   0.843   2.522   8.255
  184    HE1  TRP  24           1HE      TRP  24   0.932   2.384  10.834
  185    HE3  TRP  24           3HE      TRP  24   5.224   0.081   8.735
  186    HZ2  TRP  24           2HZ      TRP  24   2.659   1.355  12.804
  187    HZ3  TRP  24           3HZ      TRP  24   6.068  -0.472  11.000
  188    HH2  TRP  24           HH       TRP  24   4.792   0.169  12.992
  189    H    CYS  25           H        CYS  25   0.852   0.414   4.467
  190    HA   CYS  25           HA       CYS  25   2.526  -0.001   2.234
  191    HB2  CYS  25           2HB      CYS  25  -0.157   1.341   2.486
  192    HB3  CYS  25           1HB      CYS  25   0.668   1.087   0.949
  193    H    LYS  26           H        LYS  26   3.705   1.319   1.133
  194    HA   LYS  26           HA       LYS  26   3.736   4.182   1.697
  195    HB2  LYS  26           2HB      LYS  26   6.138   2.339   1.772
  196    HB3  LYS  26           1HB      LYS  26   6.165   4.088   1.891
  197    HG2  LYS  26           2HG      LYS  26   5.252   4.060   4.064
  198    HG3  LYS  26           1HG      LYS  26   4.735   2.379   3.909
  199    HD2  LYS  26           2HD      LYS  26   6.707   2.490   5.305
  200    HD3  LYS  26           1HD      LYS  26   7.098   1.685   3.790
  201    HE2  LYS  26           2HE      LYS  26   8.909   3.144   4.111
  202    HE3  LYS  26           1HE      LYS  26   7.824   4.003   3.006
  203    HZ1  LYS  26           3HZ      LYS  26   7.888   4.442   5.914
  204    HZ2  LYS  26           1HZ      LYS  26   7.028   5.355   4.783
  205    HZ3  LYS  26           2HZ      LYS  26   8.708   5.390   4.803
  206    H    LYS  27           H        LYS  27   4.791   5.261  -0.076
  207    HA   LYS  27           HA       LYS  27   4.871   3.650  -2.503
  208    HB2  LYS  27           2HB      LYS  27   4.891   5.804  -3.693
  209    HB3  LYS  27           1HB      LYS  27   3.485   5.689  -2.657
  210    HG2  LYS  27           2HG      LYS  27   4.729   7.072  -0.969
  211    HG3  LYS  27           1HG      LYS  27   5.991   7.290  -2.180
  212    HD2  LYS  27           2HD      LYS  27   3.097   8.124  -2.460
  213    HD3  LYS  27           1HD      LYS  27   4.455   9.192  -2.129
  214    HE2  LYS  27           2HE      LYS  27   5.425   8.653  -4.301
  215    HE3  LYS  27           1HE      LYS  27   4.118   7.513  -4.612
  216    HZ1  LYS  27           3HZ      LYS  27   3.789  10.438  -4.243
  217    HZ2  LYS  27           1HZ      LYS  27   2.549   9.316  -4.503
  218    HZ3  LYS  27           2HZ      LYS  27   3.697   9.598  -5.708
  219    H    LYS  28           H        LYS  28   6.750   3.638  -3.754
  220    HA   LYS  28           HA       LYS  28   9.128   4.205  -2.221
  221    HB2  LYS  28           2HB      LYS  28   8.781   2.932  -4.939
  222    HB3  LYS  28           1HB      LYS  28  10.304   3.070  -4.070
  223    HG2  LYS  28           2HG      LYS  28   7.898   1.600  -3.039
  224    HG3  LYS  28           1HG      LYS  28   9.213   0.805  -3.911
  225    HD2  LYS  28           2HD      LYS  28   9.478   2.325  -1.295
  226    HD3  LYS  28           1HD      LYS  28   9.384   0.574  -1.437
  227    HE2  LYS  28           2HE      LYS  28  11.446   0.581  -2.779
  228    HE3  LYS  28           1HE      LYS  28  11.527   2.332  -2.620
  229    HZ1  LYS  28           3HZ      LYS  28  11.709   0.394  -0.373
  230    HZ2  LYS  28           1HZ      LYS  28  11.818   2.083  -0.238
  231    HZ3  LYS  28           2HZ      LYS  28  12.988   1.214  -1.085
  232    H    LEU  29           H        LEU  29   9.156   6.283  -2.166
  233    HA   LEU  29           HA       LEU  29   8.737   7.894  -4.513
  234    HB2  LEU  29           2HB      LEU  29   7.826   8.543  -2.309
  235    HB3  LEU  29           1HB      LEU  29   9.455   8.747  -1.710
  236    HG   LEU  29           HG       LEU  29   9.783  10.606  -3.311
  237   HD11  LEU  29          1HD1      LEU  29   7.845  11.546  -4.464
  238   HD12  LEU  29          2HD1      LEU  29   6.863  10.186  -3.921
  239   HD13  LEU  29          3HD1      LEU  29   8.205   9.917  -5.033
  240   HD21  LEU  29          3HD2      LEU  29   9.057  11.047  -1.026
  241   HD22  LEU  29          1HD2      LEU  29   7.373  10.874  -1.519
  242   HD23  LEU  29          2HD2      LEU  29   8.343  12.206  -2.150
  243    H    TRP  30           H        TRP  30  10.533   6.938  -5.628
  244    HA   TRP  30           HA       TRP  30  12.744   8.661  -5.800
  245    HB2  TRP  30           2HB      TRP  30  13.475   7.336  -3.781
  246    HB3  TRP  30           1HB      TRP  30  13.360   5.887  -4.768
  247    HD1  TRP  30           HD       TRP  30  14.923   9.158  -5.775
  248    HE1  TRP  30           1HE      TRP  30  17.424   8.765  -6.366
  249    HE3  TRP  30           3HE      TRP  30  15.196   4.275  -4.527
  250    HZ2  TRP  30           2HZ      TRP  30  19.258   6.562  -6.272
  251    HZ3  TRP  30           3HZ      TRP  30  17.323   3.079  -4.784
  252    HH2  TRP  30           HH       TRP  30  19.309   4.204  -5.642
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1 -11.261   4.270   2.099
    2    HA   TYR   1           HA       TYR   1 -10.210   2.120   1.642
    3    HB2  TYR   1           2HB      TYR   1 -11.102   1.691  -0.675
    4    HB3  TYR   1           1HB      TYR   1 -12.271   2.338   0.465
    5    HD1  TYR   1           2HD      TYR   1 -10.284   3.059  -2.560
    6    HD2  TYR   1           1HD      TYR   1 -13.255   4.500   0.111
    7    HE1  TYR   1           2HE      TYR   1 -10.878   4.808  -4.169
    8    HE2  TYR   1           1HE      TYR   1 -13.861   6.239  -1.486
    9    HH   TYR   1           HH       TYR   1 -12.745   6.216  -4.717
   10    H    CYS   2           H        CYS   2  -8.897   4.825   0.250
   11    HA   CYS   2           HA       CYS   2  -6.830   3.187  -0.944
   12    HB2  CYS   2           2HB      CYS   2  -7.802   5.868  -1.787
   13    HB3  CYS   2           1HB      CYS   2  -6.175   5.350  -2.213
   14    H    GLN   3           H        GLN   3  -4.817   3.499  -0.684
   15    HA   GLN   3           HA       GLN   3  -4.336   4.125   2.003
   16    HB2  GLN   3           2HB      GLN   3  -2.747   2.592  -0.063
   17    HB3  GLN   3           1HB      GLN   3  -2.060   2.971   1.508
   18    HG2  GLN   3           2HG      GLN   3  -3.016   0.723   1.371
   19    HG3  GLN   3           1HG      GLN   3  -3.798   1.620   2.640
   20   HE21  GLN   3          1HE2      GLN   3  -5.746   1.112   2.694
   21   HE22  GLN   3          2HE2      GLN   3  -6.826   1.037   1.344
   22    H    LYS   4           H        LYS   4  -3.758   6.247   2.309
   23    HA   LYS   4           HA       LYS   4  -1.968   7.509   0.379
   24    HB2  LYS   4           2HB      LYS   4  -3.771   8.594   2.505
   25    HB3  LYS   4           1HB      LYS   4  -2.640   9.592   1.598
   26    HG2  LYS   4           2HG      LYS   4  -3.753   9.080  -0.462
   27    HG3  LYS   4           1HG      LYS   4  -4.805   7.924   0.358
   28    HD2  LYS   4           2HD      LYS   4  -4.616  10.764   1.129
   29    HD3  LYS   4           1HD      LYS   4  -5.741  10.244  -0.135
   30    HE2  LYS   4           2HE      LYS   4  -5.697   9.286   2.758
   31    HE3  LYS   4           1HE      LYS   4  -6.879  10.382   2.055
   32    HZ1  LYS   4           3HZ      LYS   4  -6.533   7.491   1.306
   33    HZ2  LYS   4           1HZ      LYS   4  -7.560   8.586   0.550
   34    HZ3  LYS   4           2HZ      LYS   4  -7.814   8.183   2.139
   35    H    TRP   5           H        TRP   5  -0.095   7.464   0.805
   36    HA   TRP   5           HA       TRP   5   1.894   6.772   1.771
   37    HB2  TRP   5           2HB      TRP   5   1.312   9.197   2.757
   38    HB3  TRP   5           1HB      TRP   5   1.218   8.295   4.264
   39    HD1  TRP   5           HD       TRP   5   3.742   6.307   3.846
   40    HE1  TRP   5           1HE      TRP   5   6.121   7.276   3.899
   41    HE3  TRP   5           3HE      TRP   5   2.675  11.213   2.817
   42    HZ2  TRP   5           2HZ      TRP   5   7.386   9.761   3.545
   43    HZ3  TRP   5           3HZ      TRP   5   4.542  12.812   2.694
   44    HH2  TRP   5           HH       TRP   5   6.834  12.101   3.048
   45    H    MET   6           H        MET   6   1.940   6.682   4.880
   46    HA   MET   6           HA       MET   6   1.656   3.871   4.962
   47    HB2  MET   6           2HB      MET   6   2.214   4.000   7.349
   48    HB3  MET   6           1HB      MET   6   3.330   4.903   6.344
   49    HG2  MET   6           2HG      MET   6   2.196   6.982   6.989
   50    HG3  MET   6           1HG      MET   6   1.112   6.052   8.019
   51    HE1  MET   6           3HE      MET   6   2.816   8.520   9.056
   52    HE2  MET   6           1HE      MET   6   3.401   7.898  10.598
   53    HE3  MET   6           2HE      MET   6   1.743   7.577  10.087
   54    H    TRP   7           H        TRP   7  -0.094   2.976   4.678
   55    HA   TRP   7           HA       TRP   7  -2.241   3.210   6.688
   56    HB2  TRP   7           2HB      TRP   7  -2.502   3.093   3.681
   57    HB3  TRP   7           1HB      TRP   7  -3.748   2.380   4.686
   58    HD1  TRP   7           HD       TRP   7  -2.023   5.799   5.202
   59    HE1  TRP   7           1HE      TRP   7  -3.844   7.634   5.149
   60    HE3  TRP   7           3HE      TRP   7  -6.033   2.902   4.049
   61    HZ2  TRP   7           2HZ      TRP   7  -6.617   7.796   4.687
   62    HZ3  TRP   7           3HZ      TRP   7  -8.233   3.958   3.810
   63    HH2  TRP   7           HH       TRP   7  -8.518   6.342   4.118
   64    H    THR   8           H        THR   8  -3.620   0.963   6.402
   65    HA   THR   8           HA       THR   8  -1.546  -1.040   6.252
   66    HB   THR   8           HB       THR   8  -3.408  -2.426   7.328
   67    HG1  THR   8           1HG      THR   8  -4.995  -1.152   8.376
   68   HG21  THR   8          3HG2      THR   8  -2.231  -0.066   8.803
   69   HG22  THR   8          1HG2      THR   8  -1.440  -1.620   8.549
   70   HG23  THR   8          2HG2      THR   8  -2.882  -1.521   9.558
   71    H    CYS   9           H        CYS   9  -1.948  -3.030   5.146
   72    HA   CYS   9           HA       CYS   9  -3.947  -2.751   3.068
   73    HB2  CYS   9           2HB      CYS   9  -2.443  -4.226   1.658
   74    HB3  CYS   9           1HB      CYS   9  -1.806  -2.625   2.005
   75    H    ASP  10           H        ASP  10  -4.410  -5.147   2.175
   76    HA   ASP  10           HA       ASP  10  -4.491  -7.143   4.312
   77    HB2  ASP  10           2HB      ASP  10  -6.633  -5.579   4.329
   78    HB3  ASP  10           1HB      ASP  10  -6.885  -6.312   2.739
   79    H    SER  11           H        SER  11  -6.212  -8.867   2.762
   80    HA   SER  11           HA       SER  11  -4.467  -9.375   0.544
   81    HB2  SER  11           2HB      SER  11  -5.871 -11.453   0.435
   82    HB3  SER  11           1HB      SER  11  -5.061 -11.132   1.993
   83    HG   SER  11           HG       SER  11  -7.707 -11.230   1.374
   84    H    GLU  12           H        GLU  12  -7.690  -8.402   1.313
   85    HA   GLU  12           HA       GLU  12  -8.640  -8.131  -1.401
   86    HB2  GLU  12           2HB      GLU  12  -9.605  -6.991   1.213
   87    HB3  GLU  12           1HB      GLU  12 -10.493  -6.900  -0.296
   88    HG2  GLU  12           2HG      GLU  12  -9.708  -9.465   1.048
   89    HG3  GLU  12           1HG      GLU  12 -11.260  -8.662   1.282
   90    H    ARG  13           H        ARG  13  -7.630  -6.078   1.220
   91    HA   ARG  13           HA       ARG  13  -7.803  -3.669  -0.254
   92    HB2  ARG  13           2HB      ARG  13  -8.165  -3.847   2.197
   93    HB3  ARG  13           1HB      ARG  13  -6.447  -4.159   2.386
   94    HG2  ARG  13           2HG      ARG  13  -6.914  -1.842   2.869
   95    HG3  ARG  13           1HG      ARG  13  -5.963  -1.988   1.384
   96    HD2  ARG  13           2HD      ARG  13  -7.811  -0.354   1.185
   97    HD3  ARG  13           1HD      ARG  13  -7.895  -1.677   0.027
   98    HE   ARG  13           HE       ARG  13  -9.394  -2.202   2.377
   99   HH11  ARG  13          1HH1      ARG  13  -9.478  -0.487  -0.700
  100   HH12  ARG  13          2HH1      ARG  13 -11.176  -0.474  -0.824
  101   HH21  ARG  13          1HH2      ARG  13 -11.688  -2.183   2.251
  102   HH22  ARG  13          2HH2      ARG  13 -12.506  -1.479   0.934
  103    H    LYS  14           H        LYS  14  -6.461  -3.217  -1.732
  104    HA   LYS  14           HA       LYS  14  -3.632  -3.958  -1.546
  105    HB2  LYS  14           2HB      LYS  14  -5.360  -3.214  -3.922
  106    HB3  LYS  14           1HB      LYS  14  -3.649  -3.611  -4.009
  107    HG2  LYS  14           2HG      LYS  14  -4.054  -5.871  -3.322
  108    HG3  LYS  14           1HG      LYS  14  -5.735  -5.510  -2.957
  109    HD2  LYS  14           2HD      LYS  14  -4.548  -5.291  -5.720
  110    HD3  LYS  14           1HD      LYS  14  -5.339  -6.744  -5.117
  111    HE2  LYS  14           2HE      LYS  14  -6.616  -4.012  -5.384
  112    HE3  LYS  14           1HE      LYS  14  -6.858  -5.373  -6.469
  113    HZ1  LYS  14           3HZ      LYS  14  -8.692  -5.239  -4.925
  114    HZ2  LYS  14           1HZ      LYS  14  -7.674  -5.292  -3.586
  115    HZ3  LYS  14           2HZ      LYS  14  -7.824  -6.616  -4.583
  116    H    CYS  15           H        CYS  15  -2.108  -2.270  -1.844
  117    HA   CYS  15           HA       CYS  15  -3.066   0.193  -0.798
  118    HB2  CYS  15           2HB      CYS  15  -0.292  -0.344  -1.809
  119    HB3  CYS  15           1HB      CYS  15  -0.870   0.814  -0.601
  120    H    CYS  16           H        CYS  16  -4.006   1.581  -1.993
  121    HA   CYS  16           HA       CYS  16  -3.916   1.820  -4.794
  122    HB2  CYS  16           2HB      CYS  16  -4.736   3.828  -2.711
  123    HB3  CYS  16           1HB      CYS  16  -4.962   4.092  -4.435
  124    H    GLU  17           H        GLU  17  -3.241   3.701  -6.044
  125    HA   GLU  17           HA       GLU  17  -1.815   5.174  -6.899
  126    HB2  GLU  17           2HB      GLU  17  -2.185   6.256  -4.569
  127    HB3  GLU  17           1HB      GLU  17  -0.575   5.647  -4.202
  128    HG2  GLU  17           2HG      GLU  17  -0.459   7.958  -4.902
  129    HG3  GLU  17           1HG      GLU  17   0.317   6.915  -6.099
  130    H    GLY  18           H        GLY  18  -1.147   2.338  -6.286
  131    HA2  GLY  18           2HA      GLY  18   0.563   0.916  -6.922
  132    HA3  GLY  18           1HA      GLY  18   1.434   2.335  -7.474
  133    H    MET  19           H        MET  19   0.303   1.679  -4.187
  134    HA   MET  19           HA       MET  19   3.074   2.038  -3.343
  135    HB2  MET  19           2HB      MET  19   0.554   2.023  -1.676
  136    HB3  MET  19           1HB      MET  19   2.173   2.350  -1.072
  137    HG2  MET  19           2HG      MET  19   2.261   4.285  -2.671
  138    HG3  MET  19           1HG      MET  19   0.560   3.989  -2.992
  139    HE1  MET  19           3HE      MET  19   0.414   7.210  -0.876
  140    HE2  MET  19           1HE      MET  19  -0.167   6.394  -2.323
  141    HE3  MET  19           2HE      MET  19   1.546   6.758  -2.151
  142    H    VAL  20           H        VAL  20   3.891   0.671  -1.564
  143    HA   VAL  20           HA       VAL  20   3.390  -2.068  -2.356
  144    HB   VAL  20           HB       VAL  20   5.432  -2.650  -1.080
  145   HG11  VAL  20          1HG1      VAL  20   5.606  -2.106  -3.423
  146   HG12  VAL  20          2HG1      VAL  20   7.024  -1.515  -2.554
  147   HG13  VAL  20          3HG1      VAL  20   5.753  -0.391  -3.040
  148   HG21  VAL  20          3HG2      VAL  20   5.639   0.325  -0.571
  149   HG22  VAL  20          1HG2      VAL  20   6.890  -0.865  -0.212
  150   HG23  VAL  20          2HG2      VAL  20   5.350  -0.915   0.648
  151    H    CYS  21           H        CYS  21   2.753  -3.685  -1.094
  152    HA   CYS  21           HA       CYS  21   1.359  -2.951   1.351
  153    HB2  CYS  21           2HB      CYS  21   0.124  -4.287  -0.281
  154    HB3  CYS  21           1HB      CYS  21   1.410  -5.490  -0.268
  155    H    ARG  22           H        ARG  22   2.391  -3.084   3.154
  156    HA   ARG  22           HA       ARG  22   4.078  -5.377   3.826
  157    HB2  ARG  22           2HB      ARG  22   5.337  -3.224   2.899
  158    HB3  ARG  22           1HB      ARG  22   4.984  -2.585   4.501
  159    HG2  ARG  22           2HG      ARG  22   7.177  -3.473   4.616
  160    HG3  ARG  22           1HG      ARG  22   6.147  -4.654   5.427
  161    HD2  ARG  22           2HD      ARG  22   7.683  -5.824   3.987
  162    HD3  ARG  22           1HD      ARG  22   6.063  -5.955   3.299
  163    HE   ARG  22           HE       ARG  22   7.731  -3.788   2.344
  164   HH11  ARG  22          1HH1      ARG  22   6.538  -7.056   1.683
  165   HH12  ARG  22          2HH1      ARG  22   6.888  -7.008   0.026
  166   HH21  ARG  22          1HH2      ARG  22   8.252  -3.715   0.093
  167   HH22  ARG  22          2HH2      ARG  22   7.899  -5.038  -0.915
  168    H    LEU  23           H        LEU  23   4.755  -3.998   6.372
  169    HA   LEU  23           HA       LEU  23   2.392  -4.398   7.838
  170    HB2  LEU  23           2HB      LEU  23   4.766  -2.664   8.568
  171    HB3  LEU  23           1HB      LEU  23   3.502  -3.130   9.681
  172    HG   LEU  23           HG       LEU  23   5.491  -4.985   8.367
  173   HD11  LEU  23          1HD1      LEU  23   6.446  -3.620  10.147
  174   HD12  LEU  23          2HD1      LEU  23   6.326  -5.311  10.630
  175   HD13  LEU  23          3HD1      LEU  23   5.159  -4.136  11.236
  176   HD21  LEU  23          3HD2      LEU  23   3.259  -5.594  10.312
  177   HD22  LEU  23          1HD2      LEU  23   4.510  -6.729   9.802
  178   HD23  LEU  23          2HD2      LEU  23   3.351  -6.115   8.629
  179    H    TRP  24           H        TRP  24   3.730  -1.599   6.301
  180    HA   TRP  24           HA       TRP  24   1.074  -0.425   6.356
  181    HB2  TRP  24           2HB      TRP  24   3.694   0.969   6.878
  182    HB3  TRP  24           1HB      TRP  24   2.346   1.859   6.200
  183    HD1  TRP  24           HD       TRP  24   0.105   1.939   7.785
  184    HE1  TRP  24           1HE      TRP  24  -0.057   2.077  10.359
  185    HE3  TRP  24           3HE      TRP  24   4.769   0.327   8.910
  186    HZ2  TRP  24           2HZ      TRP  24   1.642   1.577  12.581
  187    HZ3  TRP  24           3HZ      TRP  24   5.458   0.179  11.279
  188    HH2  TRP  24           HH       TRP  24   3.918   0.795  13.069
  189    H    CYS  25           H        CYS  25   0.569   0.636   4.483
  190    HA   CYS  25           HA       CYS  25   2.058  -0.075   2.133
  191    HB2  CYS  25           2HB      CYS  25  -0.267   1.830   2.498
  192    HB3  CYS  25           1HB      CYS  25   0.359   1.245   0.962
  193    H    LYS  26           H        LYS  26   3.584   1.181   1.288
  194    HA   LYS  26           HA       LYS  26   3.660   3.994   2.046
  195    HB2  LYS  26           2HB      LYS  26   6.024   2.104   2.070
  196    HB3  LYS  26           1HB      LYS  26   6.192   3.845   2.029
  197    HG2  LYS  26           2HG      LYS  26   5.035   3.957   4.224
  198    HG3  LYS  26           1HG      LYS  26   4.996   2.191   4.254
  199    HD2  LYS  26           2HD      LYS  26   7.418   2.090   4.194
  200    HD3  LYS  26           1HD      LYS  26   7.521   3.835   3.999
  201    HE2  LYS  26           2HE      LYS  26   8.041   3.276   6.274
  202    HE3  LYS  26           1HE      LYS  26   6.486   4.096   6.241
  203    HZ1  LYS  26           3HZ      LYS  26   7.004   1.199   6.638
  204    HZ2  LYS  26           1HZ      LYS  26   5.455   1.828   6.367
  205    HZ3  LYS  26           2HZ      LYS  26   6.345   2.305   7.708
  206    H    LYS  27           H        LYS  27   4.510   5.321   0.475
  207    HA   LYS  27           HA       LYS  27   4.208   4.360  -2.174
  208    HB2  LYS  27           2HB      LYS  27   4.765   6.667  -2.837
  209    HB3  LYS  27           1HB      LYS  27   3.532   6.633  -1.590
  210    HG2  LYS  27           2HG      LYS  27   5.328   7.130   0.080
  211    HG3  LYS  27           1HG      LYS  27   6.432   7.346  -1.281
  212    HD2  LYS  27           2HD      LYS  27   4.911   9.090  -2.181
  213    HD3  LYS  27           1HD      LYS  27   3.910   8.909  -0.744
  214    HE2  LYS  27           2HE      LYS  27   5.352  10.814  -0.479
  215    HE3  LYS  27           1HE      LYS  27   5.848   9.552   0.645
  216    HZ1  LYS  27           3HZ      LYS  27   7.146  10.169  -1.953
  217    HZ2  LYS  27           1HZ      LYS  27   7.648   8.972  -0.894
  218    HZ3  LYS  27           2HZ      LYS  27   7.745  10.594  -0.449
  219    H    LYS  28           H        LYS  28   5.826   4.367  -3.784
  220    HA   LYS  28           HA       LYS  28   8.173   3.112  -2.763
  221    HB2  LYS  28           2HB      LYS  28   7.343   3.725  -5.596
  222    HB3  LYS  28           1HB      LYS  28   8.728   2.748  -5.142
  223    HG2  LYS  28           2HG      LYS  28   7.256   1.116  -4.084
  224    HG3  LYS  28           1HG      LYS  28   5.858   2.104  -4.492
  225    HD2  LYS  28           2HD      LYS  28   7.735   1.080  -6.604
  226    HD3  LYS  28           1HD      LYS  28   6.426   0.086  -5.990
  227    HE2  LYS  28           2HE      LYS  28   5.783   1.193  -8.065
  228    HE3  LYS  28           1HE      LYS  28   4.800   1.754  -6.727
  229    HZ1  LYS  28           3HZ      LYS  28   5.471   3.509  -8.242
  230    HZ2  LYS  28           1HZ      LYS  28   7.097   3.281  -7.889
  231    HZ3  LYS  28           2HZ      LYS  28   6.014   3.819  -6.709
  232    H    LEU  29           H        LEU  29  10.188   3.796  -2.822
  233    HA   LEU  29           HA       LEU  29  10.638   6.543  -2.458
  234    HB2  LEU  29           2HB      LEU  29  12.537   4.225  -2.684
  235    HB3  LEU  29           1HB      LEU  29  13.104   5.863  -2.495
  236    HG   LEU  29           HG       LEU  29  13.182   4.730  -0.386
  237   HD11  LEU  29          1HD1      LEU  29  12.664   7.079  -0.325
  238   HD12  LEU  29          2HD1      LEU  29  11.887   6.224   1.002
  239   HD13  LEU  29          3HD1      LEU  29  10.937   6.724  -0.394
  240   HD21  LEU  29          3HD2      LEU  29  10.214   4.269  -0.657
  241   HD22  LEU  29          1HD2      LEU  29  11.204   3.878   0.749
  242   HD23  LEU  29          2HD2      LEU  29  11.462   3.030  -0.778
  243    H    TRP  30           H        TRP  30  12.138   7.860  -3.487
  244    HA   TRP  30           HA       TRP  30  11.978   7.682  -6.379
  245    HB2  TRP  30           2HB      TRP  30  12.674  10.064  -6.314
  246    HB3  TRP  30           1HB      TRP  30  11.223   9.792  -5.373
  247    HD1  TRP  30           HD       TRP  30  14.673  11.098  -5.146
  248    HE1  TRP  30           1HE      TRP  30  15.183  11.920  -2.731
  249    HE3  TRP  30           3HE      TRP  30  10.598   9.189  -2.769
  250    HZ2  TRP  30           2HZ      TRP  30  13.991  11.758  -0.181
  251    HZ3  TRP  30           3HZ      TRP  30  10.346   9.561  -0.349
  252    HH2  TRP  30           HH       TRP  30  12.012  10.822   0.910
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1 -12.280   2.557   1.470
    2    HA   TYR   1           HA       TYR   1 -11.439   5.155   1.175
    3    HB2  TYR   1           2HB      TYR   1 -10.429   3.820   3.701
    4    HB3  TYR   1           1HB      TYR   1  -9.760   5.278   2.998
    5    HD1  TYR   1           2HD      TYR   1 -11.228   7.354   2.932
    6    HD2  TYR   1           1HD      TYR   1 -12.223   3.895   5.190
    7    HE1  TYR   1           2HE      TYR   1 -12.742   8.699   4.301
    8    HE2  TYR   1           1HE      TYR   1 -13.737   5.222   6.568
    9    HH   TYR   1           HH       TYR   1 -14.692   8.382   5.733
   10    H    CYS   2           H        CYS   2  -8.849   5.034   1.190
   11    HA   CYS   2           HA       CYS   2  -7.931   2.380   0.601
   12    HB2  CYS   2           2HB      CYS   2  -8.573   3.395  -1.605
   13    HB3  CYS   2           1HB      CYS   2  -7.412   4.686  -1.301
   14    H    GLN   3           H        GLN   3  -5.415   2.695   0.152
   15    HA   GLN   3           HA       GLN   3  -4.538   3.732   2.681
   16    HB2  GLN   3           2HB      GLN   3  -3.290   2.017   0.572
   17    HB3  GLN   3           1HB      GLN   3  -2.352   2.634   1.908
   18    HG2  GLN   3           2HG      GLN   3  -3.080   0.308   2.246
   19    HG3  GLN   3           1HG      GLN   3  -3.704   1.378   3.486
   20   HE21  GLN   3          1HE2      GLN   3  -5.876   1.698   3.628
   21   HE22  GLN   3          2HE2      GLN   3  -7.035   0.748   2.780
   22    H    LYS   4           H        LYS   4  -3.988   5.807   2.708
   23    HA   LYS   4           HA       LYS   4  -2.546   7.012   0.450
   24    HB2  LYS   4           2HB      LYS   4  -3.729   8.197   2.932
   25    HB3  LYS   4           1HB      LYS   4  -2.940   9.112   1.652
   26    HG2  LYS   4           2HG      LYS   4  -4.745   8.266   0.123
   27    HG3  LYS   4           1HG      LYS   4  -5.538   7.620   1.560
   28    HD2  LYS   4           2HD      LYS   4  -4.667  10.437   1.249
   29    HD3  LYS   4           1HD      LYS   4  -6.321   9.906   0.889
   30    HE2  LYS   4           2HE      LYS   4  -6.536   9.149   3.241
   31    HE3  LYS   4           1HE      LYS   4  -4.897   9.697   3.557
   32    HZ1  LYS   4           3HZ      LYS   4  -5.554  11.941   3.151
   33    HZ2  LYS   4           1HZ      LYS   4  -6.579  11.263   4.296
   34    HZ3  LYS   4           2HZ      LYS   4  -7.129  11.462   2.731
   35    H    TRP   5           H        TRP   5  -0.502   6.872   0.617
   36    HA   TRP   5           HA       TRP   5   1.629   6.341   1.463
   37    HB2  TRP   5           2HB      TRP   5   1.007   8.827   2.275
   38    HB3  TRP   5           1HB      TRP   5   1.071   8.066   3.856
   39    HD1  TRP   5           HD       TRP   5   3.775   6.168   3.368
   40    HE1  TRP   5           1HE      TRP   5   6.018   7.323   3.139
   41    HE3  TRP   5           3HE      TRP   5   2.199  10.932   2.166
   42    HZ2  TRP   5           2HZ      TRP   5   7.046   9.861   2.555
   43    HZ3  TRP   5           3HZ      TRP   5   3.920  12.648   1.800
   44    HH2  TRP   5           HH       TRP   5   6.283  12.120   1.992
   45    H    MET   6           H        MET   6   1.877   6.627   4.567
   46    HA   MET   6           HA       MET   6   1.688   3.844   4.992
   47    HB2  MET   6           2HB      MET   6   2.438   4.313   7.323
   48    HB3  MET   6           1HB      MET   6   3.482   4.945   6.066
   49    HG2  MET   6           2HG      MET   6   2.448   7.176   6.411
   50    HG3  MET   6           1HG      MET   6   1.543   6.495   7.760
   51    HE1  MET   6           3HE      MET   6   6.148   6.925   7.665
   52    HE2  MET   6           1HE      MET   6   5.085   7.431   6.357
   53    HE3  MET   6           2HE      MET   6   5.315   5.713   6.698
   54    H    TRP   7           H        TRP   7  -0.006   2.890   4.979
   55    HA   TRP   7           HA       TRP   7  -2.008   3.185   7.097
   56    HB2  TRP   7           2HB      TRP   7  -2.578   3.210   4.126
   57    HB3  TRP   7           1HB      TRP   7  -3.719   2.497   5.244
   58    HD1  TRP   7           HD       TRP   7  -1.927   5.925   5.585
   59    HE1  TRP   7           1HE      TRP   7  -3.741   7.744   5.679
   60    HE3  TRP   7           3HE      TRP   7  -6.034   3.007   4.931
   61    HZ2  TRP   7           2HZ      TRP   7  -6.531   7.924   5.503
   62    HZ3  TRP   7           3HZ      TRP   7  -8.255   4.080   4.898
   63    HH2  TRP   7           HH       TRP   7  -8.482   6.496   5.181
   64    H    THR   8           H        THR   8  -3.328   1.072   7.158
   65    HA   THR   8           HA       THR   8  -1.524  -1.051   6.521
   66    HB   THR   8           HB       THR   8  -3.311  -2.393   7.799
   67    HG1  THR   8           1HG      THR   8  -5.039  -1.058   7.894
   68   HG21  THR   8          3HG2      THR   8  -1.131  -1.757   8.736
   69   HG22  THR   8          1HG2      THR   8  -2.394  -1.653   9.961
   70   HG23  THR   8          2HG2      THR   8  -1.784  -0.187   9.193
   71    H    CYS   9           H        CYS   9  -1.935  -2.675   5.108
   72    HA   CYS   9           HA       CYS   9  -4.239  -2.311   3.341
   73    HB2  CYS   9           2HB      CYS   9  -2.817  -3.588   1.699
   74    HB3  CYS   9           1HB      CYS   9  -2.214  -1.992   2.129
   75    H    ASP  10           H        ASP  10  -4.788  -4.436   2.222
   76    HA   ASP  10           HA       ASP  10  -4.761  -6.678   4.119
   77    HB2  ASP  10           2HB      ASP  10  -6.983  -5.357   4.023
   78    HB3  ASP  10           1HB      ASP  10  -7.061  -5.837   2.332
   79    H    SER  11           H        SER  11  -5.871  -8.527   2.432
   80    HA   SER  11           HA       SER  11  -3.952  -8.685   0.278
   81    HB2  SER  11           2HB      SER  11  -6.202 -10.505   1.117
   82    HB3  SER  11           1HB      SER  11  -4.961 -10.913  -0.080
   83    HG   SER  11           HG       SER  11  -4.394 -10.151   2.579
   84    H    GLU  12           H        GLU  12  -7.314  -8.021   0.859
   85    HA   GLU  12           HA       GLU  12  -7.980  -7.916  -1.957
   86    HB2  GLU  12           2HB      GLU  12  -9.560  -7.210   0.500
   87    HB3  GLU  12           1HB      GLU  12 -10.189  -7.186  -1.136
   88    HG2  GLU  12           2HG      GLU  12  -9.734  -9.597  -1.311
   89    HG3  GLU  12           1HG      GLU  12  -9.198  -9.584   0.373
   90    H    ARG  13           H        ARG  13  -7.935  -5.689   0.781
   91    HA   ARG  13           HA       ARG  13  -8.160  -3.396  -0.912
   92    HB2  ARG  13           2HB      ARG  13  -9.042  -3.564   1.455
   93    HB3  ARG  13           1HB      ARG  13  -7.376  -3.500   1.997
   94    HG2  ARG  13           2HG      ARG  13  -8.318  -1.311   2.200
   95    HG3  ARG  13           1HG      ARG  13  -7.137  -1.317   0.898
   96    HD2  ARG  13           2HD      ARG  13  -9.235  -0.066   0.367
   97    HD3  ARG  13           1HD      ARG  13  -8.832  -1.345  -0.773
   98    HE   ARG  13           HE       ARG  13 -10.471  -2.629   0.867
   99   HH11  ARG  13          1HH1      ARG  13 -10.930   0.628  -0.443
  100   HH12  ARG  13          2HH1      ARG  13 -12.596   0.422  -0.711
  101   HH21  ARG  13          1HH2      ARG  13 -12.697  -2.888   0.546
  102   HH22  ARG  13          2HH2      ARG  13 -13.658  -1.657  -0.136
  103    H    LYS  14           H        LYS  14  -6.548  -2.840  -2.059
  104    HA   LYS  14           HA       LYS  14  -3.808  -3.478  -1.222
  105    HB2  LYS  14           2HB      LYS  14  -4.777  -2.675  -3.965
  106    HB3  LYS  14           1HB      LYS  14  -3.182  -3.272  -3.537
  107    HG2  LYS  14           2HG      LYS  14  -4.246  -5.440  -2.884
  108    HG3  LYS  14           1HG      LYS  14  -5.770  -4.809  -3.497
  109    HD2  LYS  14           2HD      LYS  14  -4.787  -6.160  -5.214
  110    HD3  LYS  14           1HD      LYS  14  -4.665  -4.475  -5.705
  111    HE2  LYS  14           2HE      LYS  14  -2.598  -5.682  -6.170
  112    HE3  LYS  14           1HE      LYS  14  -2.329  -4.416  -4.982
  113    HZ1  LYS  14           3HZ      LYS  14  -2.628  -7.325  -4.411
  114    HZ2  LYS  14           1HZ      LYS  14  -2.440  -6.128  -3.234
  115    HZ3  LYS  14           2HZ      LYS  14  -1.220  -6.420  -4.336
  116    H    CYS  15           H        CYS  15  -2.164  -1.862  -1.845
  117    HA   CYS  15           HA       CYS  15  -2.988   0.680  -0.824
  118    HB2  CYS  15           2HB      CYS  15  -0.287   0.046  -1.941
  119    HB3  CYS  15           1HB      CYS  15  -0.755   1.134  -0.625
  120    H    CYS  16           H        CYS  16  -3.711   2.247  -2.114
  121    HA   CYS  16           HA       CYS  16  -3.798   2.027  -4.920
  122    HB2  CYS  16           2HB      CYS  16  -4.344   4.393  -3.132
  123    HB3  CYS  16           1HB      CYS  16  -4.581   4.436  -4.875
  124    H    GLU  17           H        GLU  17  -2.915   3.372  -6.513
  125    HA   GLU  17           HA       GLU  17  -1.353   4.444  -7.670
  126    HB2  GLU  17           2HB      GLU  17  -1.433   6.126  -5.794
  127    HB3  GLU  17           1HB      GLU  17  -0.100   5.275  -5.034
  128    HG2  GLU  17           2HG      GLU  17   1.332   5.830  -6.915
  129    HG3  GLU  17           1HG      GLU  17  -0.017   6.629  -7.721
  130    H    GLY  18           H        GLY  18  -1.085   1.774  -6.164
  131    HA2  GLY  18           2HA      GLY  18   0.251  -0.050  -6.474
  132    HA3  GLY  18           1HA      GLY  18   1.241   0.915  -7.560
  133    H    MET  19           H        MET  19   0.455   1.074  -4.137
  134    HA   MET  19           HA       MET  19   3.292   1.531  -3.593
  135    HB2  MET  19           2HB      MET  19   0.885   1.771  -1.764
  136    HB3  MET  19           1HB      MET  19   2.540   2.131  -1.301
  137    HG2  MET  19           2HG      MET  19   2.600   3.931  -2.960
  138    HG3  MET  19           1HG      MET  19   0.937   3.564  -3.404
  139    HE1  MET  19           3HE      MET  19   0.195   6.079  -2.995
  140    HE2  MET  19           1HE      MET  19   1.878   6.458  -2.616
  141    HE3  MET  19           2HE      MET  19   0.592   6.975  -1.529
  142    H    VAL  20           H        VAL  20   4.351   0.301  -1.908
  143    HA   VAL  20           HA       VAL  20   3.750  -2.453  -2.282
  144    HB   VAL  20           HB       VAL  20   5.928  -1.155  -0.635
  145   HG11  VAL  20          1HG1      VAL  20   5.481  -3.426   0.085
  146   HG12  VAL  20          2HG1      VAL  20   7.040  -3.340  -0.741
  147   HG13  VAL  20          3HG1      VAL  20   5.629  -4.004  -1.572
  148   HG21  VAL  20          3HG2      VAL  20   6.005  -2.318  -3.415
  149   HG22  VAL  20          1HG2      VAL  20   7.379  -1.666  -2.526
  150   HG23  VAL  20          2HG2      VAL  20   6.058  -0.601  -3.017
  151    H    CYS  21           H        CYS  21   2.505  -3.578  -1.147
  152    HA   CYS  21           HA       CYS  21   1.351  -2.750   1.369
  153    HB2  CYS  21           2HB      CYS  21   0.058  -3.931  -0.435
  154    HB3  CYS  21           1HB      CYS  21   1.199  -5.261  -0.140
  155    H    ARG  22           H        ARG  22   2.508  -3.029   3.129
  156    HA   ARG  22           HA       ARG  22   3.751  -5.573   3.776
  157    HB2  ARG  22           2HB      ARG  22   4.871  -2.904   3.441
  158    HB3  ARG  22           1HB      ARG  22   5.648  -3.915   4.689
  159    HG2  ARG  22           2HG      ARG  22   5.330  -4.368   1.749
  160    HG3  ARG  22           1HG      ARG  22   6.855  -3.914   2.525
  161    HD2  ARG  22           2HD      ARG  22   6.857  -6.089   3.672
  162    HD3  ARG  22           1HD      ARG  22   5.319  -6.503   2.909
  163    HE   ARG  22           HE       ARG  22   7.508  -5.797   1.165
  164   HH11  ARG  22          1HH1      ARG  22   5.689  -8.459   2.670
  165   HH12  ARG  22          2HH1      ARG  22   6.116  -9.602   1.498
  166   HH21  ARG  22          1HH2      ARG  22   8.072  -7.410  -0.490
  167   HH22  ARG  22          2HH2      ARG  22   7.478  -8.985  -0.338
  168    H    LEU  23           H        LEU  23   4.866  -4.158   6.122
  169    HA   LEU  23           HA       LEU  23   2.882  -4.281   8.040
  170    HB2  LEU  23           2HB      LEU  23   5.160  -2.282   7.998
  171    HB3  LEU  23           1HB      LEU  23   4.233  -2.726   9.411
  172    HG   LEU  23           HG       LEU  23   6.060  -4.577   7.875
  173   HD11  LEU  23          1HD1      LEU  23   7.502  -4.431   9.829
  174   HD12  LEU  23          2HD1      LEU  23   6.409  -3.249  10.546
  175   HD13  LEU  23          3HD1      LEU  23   7.286  -2.855   9.067
  176   HD21  LEU  23          3HD2      LEU  23   4.213  -5.781   8.913
  177   HD22  LEU  23          1HD2      LEU  23   4.540  -4.985  10.453
  178   HD23  LEU  23          2HD2      LEU  23   5.720  -6.102   9.768
  179    H    TRP  24           H        TRP  24   3.898  -1.440   6.212
  180    HA   TRP  24           HA       TRP  24   1.174  -0.478   6.236
  181    HB2  TRP  24           2HB      TRP  24   3.601   1.105   7.087
  182    HB3  TRP  24           1HB      TRP  24   2.255   1.936   6.341
  183    HD1  TRP  24           HD       TRP  24  -0.037   1.993   7.752
  184    HE1  TRP  24           1HE      TRP  24  -0.473   1.788  10.300
  185    HE3  TRP  24           3HE      TRP  24   4.396   0.057   9.101
  186    HZ2  TRP  24           2HZ      TRP  24   0.938   0.911  12.580
  187    HZ3  TRP  24           3HZ      TRP  24   4.827  -0.451  11.488
  188    HH2  TRP  24           HH       TRP  24   3.129  -0.027  13.181
  189    H    CYS  25           H        CYS  25   0.657   0.531   4.338
  190    HA   CYS  25           HA       CYS  25   2.376   0.126   2.060
  191    HB2  CYS  25           2HB      CYS  25  -0.013   1.965   2.321
  192    HB3  CYS  25           1HB      CYS  25   0.679   1.319   0.838
  193    H    LYS  26           H        LYS  26   3.645   1.800   1.127
  194    HA   LYS  26           HA       LYS  26   3.375   4.459   2.223
  195    HB2  LYS  26           2HB      LYS  26   6.037   3.011   2.105
  196    HB3  LYS  26           1HB      LYS  26   5.833   4.710   2.498
  197    HG2  LYS  26           2HG      LYS  26   4.511   3.984   4.517
  198    HG3  LYS  26           1HG      LYS  26   4.985   2.328   4.149
  199    HD2  LYS  26           2HD      LYS  26   6.832   4.631   4.791
  200    HD3  LYS  26           1HD      LYS  26   6.454   3.267   5.839
  201    HE2  LYS  26           2HE      LYS  26   7.743   3.094   3.160
  202    HE3  LYS  26           1HE      LYS  26   8.647   3.096   4.676
  203    HZ1  LYS  26           3HZ      LYS  26   6.703   0.989   3.779
  204    HZ2  LYS  26           1HZ      LYS  26   7.445   1.019   5.291
  205    HZ3  LYS  26           2HZ      LYS  26   8.363   0.816   3.917
  206    H    LYS  27           H        LYS  27   4.553   6.015   0.756
  207    HA   LYS  27           HA       LYS  27   3.975   5.184  -1.893
  208    HB2  LYS  27           2HB      LYS  27   4.726   7.399  -2.631
  209    HB3  LYS  27           1HB      LYS  27   3.591   7.503  -1.298
  210    HG2  LYS  27           2HG      LYS  27   5.278   8.161   0.210
  211    HG3  LYS  27           1HG      LYS  27   6.562   7.679  -0.902
  212    HD2  LYS  27           2HD      LYS  27   6.284  10.118  -0.861
  213    HD3  LYS  27           1HD      LYS  27   5.918   9.454  -2.451
  214    HE2  LYS  27           2HE      LYS  27   3.482   9.525  -1.814
  215    HE3  LYS  27           1HE      LYS  27   3.959  10.382  -0.350
  216    HZ1  LYS  27           3HZ      LYS  27   4.903  12.133  -1.738
  217    HZ2  LYS  27           1HZ      LYS  27   3.274  11.913  -2.128
  218    HZ3  LYS  27           2HZ      LYS  27   4.472  11.289  -3.119
  219    H    LYS  28           H        LYS  28   5.414   5.235  -3.655
  220    HA   LYS  28           HA       LYS  28   7.912   3.982  -2.898
  221    HB2  LYS  28           2HB      LYS  28   7.975   3.418  -5.425
  222    HB3  LYS  28           1HB      LYS  28   6.794   2.592  -4.420
  223    HG2  LYS  28           2HG      LYS  28   5.089   4.191  -5.152
  224    HG3  LYS  28           1HG      LYS  28   6.274   4.938  -6.228
  225    HD2  LYS  28           2HD      LYS  28   6.423   2.925  -7.522
  226    HD3  LYS  28           1HD      LYS  28   5.450   2.038  -6.341
  227    HE2  LYS  28           2HE      LYS  28   3.548   3.487  -6.805
  228    HE3  LYS  28           1HE      LYS  28   4.501   4.396  -7.968
  229    HZ1  LYS  28           3HZ      LYS  28   3.864   1.506  -8.201
  230    HZ2  LYS  28           1HZ      LYS  28   4.635   2.458  -9.353
  231    HZ3  LYS  28           2HZ      LYS  28   3.021   2.723  -8.995
  232    H    LEU  29           H        LEU  29   9.811   4.819  -3.223
  233    HA   LEU  29           HA       LEU  29   9.891   7.605  -4.086
  234    HB2  LEU  29           2HB      LEU  29  11.875   5.937  -2.526
  235    HB3  LEU  29           1HB      LEU  29  12.217   7.556  -3.079
  236    HG   LEU  29           HG       LEU  29  10.257   8.327  -1.650
  237   HD11  LEU  29          1HD1      LEU  29   9.125   6.206  -1.344
  238   HD12  LEU  29          2HD1      LEU  29   9.579   6.910   0.208
  239   HD13  LEU  29          3HD1      LEU  29  10.515   5.574  -0.461
  240   HD21  LEU  29          3HD2      LEU  29  12.628   7.070  -0.282
  241   HD22  LEU  29          1HD2      LEU  29  11.572   8.298   0.415
  242   HD23  LEU  29          2HD2      LEU  29  12.561   8.683  -0.992
  243    H    TRP  30           H        TRP  30   9.793   5.225  -5.853
  244    HA   TRP  30           HA       TRP  30  11.933   6.049  -7.623
  245    HB2  TRP  30           2HB      TRP  30  12.824   4.073  -6.330
  246    HB3  TRP  30           1HB      TRP  30  11.470   3.136  -6.938
  247    HD1  TRP  30           HD       TRP  30  11.741   2.046  -9.227
  248    HE1  TRP  30           1HE      TRP  30  13.597   2.017 -11.037
  249    HE3  TRP  30           3HE      TRP  30  14.728   5.716  -7.339
  250    HZ2  TRP  30           2HZ      TRP  30  16.026   3.395 -11.556
  251    HZ3  TRP  30           3HZ      TRP  30  16.793   6.304  -8.537
  252    HH2  TRP  30           HH       TRP  30  17.422   5.163 -10.602
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1 -11.237   4.133   2.432
    2    HA   TYR   1           HA       TYR   1 -11.074   2.060   1.153
    3    HB2  TYR   1           2HB      TYR   1 -11.382   4.384  -0.775
    4    HB3  TYR   1           1HB      TYR   1 -11.994   2.753  -0.998
    5    HD1  TYR   1           2HD      TYR   1 -12.475   5.948   0.719
    6    HD2  TYR   1           1HD      TYR   1 -14.035   2.036   0.139
    7    HE1  TYR   1           2HE      TYR   1 -14.579   6.657   1.717
    8    HE2  TYR   1           1HE      TYR   1 -16.163   2.734   1.138
    9    HH   TYR   1           HH       TYR   1 -16.854   6.042   1.737
   10    H    CYS   2           H        CYS   2  -8.790   4.334   0.985
   11    HA   CYS   2           HA       CYS   2  -7.020   2.685  -0.597
   12    HB2  CYS   2           2HB      CYS   2  -7.725   5.504  -1.255
   13    HB3  CYS   2           1HB      CYS   2  -6.111   4.905  -1.617
   14    H    GLN   3           H        GLN   3  -4.900   2.974  -0.229
   15    HA   GLN   3           HA       GLN   3  -4.322   3.838   2.443
   16    HB2  GLN   3           2HB      GLN   3  -2.796   2.330   0.318
   17    HB3  GLN   3           1HB      GLN   3  -2.032   2.880   1.792
   18    HG2  GLN   3           2HG      GLN   3  -2.684   0.485   1.828
   19    HG3  GLN   3           1HG      GLN   3  -3.386   1.418   3.133
   20   HE21  GLN   3          1HE2      GLN   3  -5.585   1.663   3.210
   21   HE22  GLN   3          2HE2      GLN   3  -6.678   0.773   2.223
   22    H    LYS   4           H        LYS   4  -3.881   5.943   2.672
   23    HA   LYS   4           HA       LYS   4  -2.393   7.331   0.556
   24    HB2  LYS   4           2HB      LYS   4  -3.910   8.330   2.954
   25    HB3  LYS   4           1HB      LYS   4  -2.977   9.376   1.883
   26    HG2  LYS   4           2HG      LYS   4  -4.439   8.642   0.017
   27    HG3  LYS   4           1HG      LYS   4  -5.399   7.738   1.189
   28    HD2  LYS   4           2HD      LYS   4  -4.831  10.661   1.336
   29    HD3  LYS   4           1HD      LYS   4  -6.313  10.001   0.623
   30    HE2  LYS   4           2HE      LYS   4  -6.851   8.959   2.807
   31    HE3  LYS   4           1HE      LYS   4  -5.389   9.654   3.493
   32    HZ1  LYS   4           3HZ      LYS   4  -7.334  10.943   4.039
   33    HZ2  LYS   4           1HZ      LYS   4  -7.694  11.195   2.422
   34    HZ3  LYS   4           2HZ      LYS   4  -6.295  11.858   3.115
   35    H    TRP   5           H        TRP   5  -0.422   7.375   0.767
   36    HA   TRP   5           HA       TRP   5   1.649   6.668   1.546
   37    HB2  TRP   5           2HB      TRP   5   1.109   9.124   2.500
   38    HB3  TRP   5           1HB      TRP   5   1.242   8.280   4.040
   39    HD1  TRP   5           HD       TRP   5   3.785   6.521   3.866
   40    HE1  TRP   5           1HE      TRP   5   6.103   7.470   3.319
   41    HE3  TRP   5           3HE      TRP   5   2.420  10.925   1.612
   42    HZ2  TRP   5           2HZ      TRP   5   7.225   9.723   2.148
   43    HZ3  TRP   5           3HZ      TRP   5   4.205  12.420   0.816
   44    HH2  TRP   5           HH       TRP   5   6.558  11.825   1.081
   45    H    MET   6           H        MET   6   1.969   6.741   4.646
   46    HA   MET   6           HA       MET   6   1.809   3.930   4.947
   47    HB2  MET   6           2HB      MET   6   2.470   4.283   7.294
   48    HB3  MET   6           1HB      MET   6   3.502   5.131   6.159
   49    HG2  MET   6           2HG      MET   6   2.261   7.214   6.669
   50    HG3  MET   6           1HG      MET   6   1.343   6.323   7.881
   51    HE1  MET   6           3HE      MET   6   2.002   8.054   9.710
   52    HE2  MET   6           1HE      MET   6   2.925   8.983   8.530
   53    HE3  MET   6           2HE      MET   6   3.658   8.544  10.075
   54    H    TRP   7           H        TRP   7   0.095   2.925   4.823
   55    HA   TRP   7           HA       TRP   7  -1.965   3.114   6.895
   56    HB2  TRP   7           2HB      TRP   7  -2.420   3.292   3.923
   57    HB3  TRP   7           1HB      TRP   7  -3.577   2.435   4.920
   58    HD1  TRP   7           HD       TRP   7  -1.928   5.866   5.594
   59    HE1  TRP   7           1HE      TRP   7  -3.800   7.594   5.889
   60    HE3  TRP   7           3HE      TRP   7  -5.891   2.871   4.634
   61    HZ2  TRP   7           2HZ      TRP   7  -6.599   7.677   5.712
   62    HZ3  TRP   7           3HZ      TRP   7  -8.162   3.846   4.702
   63    HH2  TRP   7           HH       TRP   7  -8.478   6.218   5.234
   64    H    THR   8           H        THR   8  -3.276   0.976   6.805
   65    HA   THR   8           HA       THR   8  -1.352  -1.108   6.338
   66    HB   THR   8           HB       THR   8  -3.081  -2.458   7.588
   67    HG1  THR   8           1HG      THR   8  -4.923  -1.444   7.484
   68   HG21  THR   8          3HG2      THR   8  -2.535  -1.453   9.755
   69   HG22  THR   8          1HG2      THR   8  -2.021   0.025   8.940
   70   HG23  THR   8          2HG2      THR   8  -1.126  -1.472   8.691
   71    H    CYS   9           H        CYS   9  -1.849  -2.983   5.116
   72    HA   CYS   9           HA       CYS   9  -3.918  -2.559   3.089
   73    HB2  CYS   9           2HB      CYS   9  -2.454  -4.214   1.763
   74    HB3  CYS   9           1HB      CYS   9  -1.859  -2.570   1.957
   75    H    ASP  10           H        ASP  10  -4.758  -4.695   2.151
   76    HA   ASP  10           HA       ASP  10  -5.003  -6.702   4.266
   77    HB2  ASP  10           2HB      ASP  10  -7.325  -5.435   2.768
   78    HB3  ASP  10           1HB      ASP  10  -7.439  -6.929   3.665
   79    H    SER  11           H        SER  11  -6.614  -8.492   3.087
   80    HA   SER  11           HA       SER  11  -4.945  -9.768   1.266
   81    HB2  SER  11           2HB      SER  11  -7.883 -10.249   1.758
   82    HB3  SER  11           1HB      SER  11  -6.688 -11.418   1.185
   83    HG   SER  11           HG       SER  11  -5.593 -11.155   3.148
   84    H    GLU  12           H        GLU  12  -8.033  -8.054   0.776
   85    HA   GLU  12           HA       GLU  12  -7.389  -8.014  -2.072
   86    HB2  GLU  12           2HB      GLU  12 -10.056  -7.753  -0.723
   87    HB3  GLU  12           1HB      GLU  12  -9.804  -7.464  -2.437
   88    HG2  GLU  12           2HG      GLU  12  -8.924  -9.786  -2.618
   89    HG3  GLU  12           1HG      GLU  12  -9.389 -10.037  -0.938
   90    H    ARG  13           H        ARG  13  -7.393  -6.054   0.607
   91    HA   ARG  13           HA       ARG  13  -7.872  -3.703  -1.012
   92    HB2  ARG  13           2HB      ARG  13  -8.681  -3.781   1.387
   93    HB3  ARG  13           1HB      ARG  13  -6.989  -3.755   1.861
   94    HG2  ARG  13           2HG      ARG  13  -7.995  -1.513   1.988
   95    HG3  ARG  13           1HG      ARG  13  -6.648  -1.640   0.842
   96    HD2  ARG  13           2HD      ARG  13  -8.630  -0.309   0.032
   97    HD3  ARG  13           1HD      ARG  13  -8.073  -1.593  -1.031
   98    HE   ARG  13           HE       ARG  13 -10.025  -2.765   0.454
   99   HH11  ARG  13          1HH1      ARG  13 -10.007   0.225  -1.410
  100   HH12  ARG  13          2HH1      ARG  13 -11.585   0.029  -2.007
  101   HH21  ARG  13          1HH2      ARG  13 -12.177  -3.039  -0.315
  102   HH22  ARG  13          2HH2      ARG  13 -12.894  -1.878  -1.334
  103    H    LYS  14           H        LYS  14  -6.377  -3.130  -2.215
  104    HA   LYS  14           HA       LYS  14  -3.613  -3.741  -1.553
  105    HB2  LYS  14           2HB      LYS  14  -4.940  -3.042  -4.154
  106    HB3  LYS  14           1HB      LYS  14  -3.222  -3.354  -3.967
  107    HG2  LYS  14           2HG      LYS  14  -3.651  -5.642  -3.323
  108    HG3  LYS  14           1HG      LYS  14  -5.390  -5.355  -3.347
  109    HD2  LYS  14           2HD      LYS  14  -3.571  -5.115  -5.744
  110    HD3  LYS  14           1HD      LYS  14  -4.555  -6.529  -5.360
  111    HE2  LYS  14           2HE      LYS  14  -6.579  -5.191  -5.524
  112    HE3  LYS  14           1HE      LYS  14  -5.632  -3.748  -5.846
  113    HZ1  LYS  14           3HZ      LYS  14  -5.806  -6.146  -7.582
  114    HZ2  LYS  14           1HZ      LYS  14  -4.837  -4.788  -7.881
  115    HZ3  LYS  14           2HZ      LYS  14  -6.524  -4.652  -7.839
  116    H    CYS  15           H        CYS  15  -2.084  -2.157  -1.703
  117    HA   CYS  15           HA       CYS  15  -2.954   0.339  -0.724
  118    HB2  CYS  15           2HB      CYS  15  -0.222  -0.160  -1.830
  119    HB3  CYS  15           1HB      CYS  15  -0.761   0.843  -0.467
  120    H    CYS  16           H        CYS  16  -3.825   1.783  -1.912
  121    HA   CYS  16           HA       CYS  16  -3.835   1.842  -4.735
  122    HB2  CYS  16           2HB      CYS  16  -4.665   3.986  -2.789
  123    HB3  CYS  16           1HB      CYS  16  -5.018   4.008  -4.514
  124    H    GLU  17           H        GLU  17  -3.197   3.693  -6.115
  125    HA   GLU  17           HA       GLU  17  -1.691   4.974  -7.085
  126    HB2  GLU  17           2HB      GLU  17  -1.926   6.397  -4.977
  127    HB3  GLU  17           1HB      GLU  17  -0.520   5.559  -4.340
  128    HG2  GLU  17           2HG      GLU  17   0.859   6.462  -6.118
  129    HG3  GLU  17           1HG      GLU  17  -0.546   7.228  -6.846
  130    H    GLY  18           H        GLY  18  -1.270   2.155  -6.152
  131    HA2  GLY  18           2HA      GLY  18   0.222   0.502  -6.672
  132    HA3  GLY  18           1HA      GLY  18   1.160   1.716  -7.531
  133    H    MET  19           H        MET  19   0.303   1.369  -4.118
  134    HA   MET  19           HA       MET  19   3.141   1.745  -3.460
  135    HB2  MET  19           2HB      MET  19   0.744   1.656  -1.612
  136    HB3  MET  19           1HB      MET  19   2.386   2.075  -1.155
  137    HG2  MET  19           2HG      MET  19   2.252   4.056  -2.574
  138    HG3  MET  19           1HG      MET  19   0.604   3.615  -3.006
  139    HE1  MET  19           3HE      MET  19  -0.420   5.872  -2.268
  140    HE2  MET  19           1HE      MET  19   1.235   6.416  -1.984
  141    HE3  MET  19           2HE      MET  19  -0.005   6.679  -0.759
  142    H    VAL  20           H        VAL  20   4.113   0.272  -1.922
  143    HA   VAL  20           HA       VAL  20   3.301  -2.430  -2.583
  144    HB   VAL  20           HB       VAL  20   5.723  -1.514  -1.009
  145   HG11  VAL  20          1HG1      VAL  20   5.124  -3.823  -0.567
  146   HG12  VAL  20          2HG1      VAL  20   6.623  -3.733  -1.494
  147   HG13  VAL  20          3HG1      VAL  20   5.112  -4.169  -2.296
  148   HG21  VAL  20          3HG2      VAL  20   6.991  -1.884  -3.073
  149   HG22  VAL  20          1HG2      VAL  20   5.772  -0.626  -3.283
  150   HG23  VAL  20          2HG2      VAL  20   5.493  -2.246  -3.926
  151    H    CYS  21           H        CYS  21   2.382  -3.837  -1.224
  152    HA   CYS  21           HA       CYS  21   1.353  -2.944   1.281
  153    HB2  CYS  21           2HB      CYS  21   0.054  -4.459  -0.115
  154    HB3  CYS  21           1HB      CYS  21   1.339  -5.657  -0.056
  155    H    ARG  22           H        ARG  22   2.158  -3.217   3.218
  156    HA   ARG  22           HA       ARG  22   4.132  -5.202   3.885
  157    HB2  ARG  22           2HB      ARG  22   5.234  -3.033   2.830
  158    HB3  ARG  22           1HB      ARG  22   4.807  -2.290   4.363
  159    HG2  ARG  22           2HG      ARG  22   7.094  -2.985   4.475
  160    HG3  ARG  22           1HG      ARG  22   6.166  -4.069   5.509
  161    HD2  ARG  22           2HD      ARG  22   7.705  -5.392   4.235
  162    HD3  ARG  22           1HD      ARG  22   6.087  -5.694   3.616
  163    HE   ARG  22           HE       ARG  22   7.520  -3.626   2.228
  164   HH11  ARG  22          1HH1      ARG  22   6.781  -7.092   2.274
  165   HH12  ARG  22          2HH1      ARG  22   7.277  -7.344   0.662
  166   HH21  ARG  22          1HH2      ARG  22   8.194  -3.989   0.074
  167   HH22  ARG  22          2HH2      ARG  22   8.108  -5.535  -0.632
  168    H    LEU  23           H        LEU  23   4.747  -3.696   6.368
  169    HA   LEU  23           HA       LEU  23   2.437  -4.181   7.942
  170    HB2  LEU  23           2HB      LEU  23   4.738  -2.290   8.505
  171    HB3  LEU  23           1HB      LEU  23   3.569  -2.833   9.681
  172    HG   LEU  23           HG       LEU  23   5.549  -4.609   8.274
  173   HD11  LEU  23          1HD1      LEU  23   6.657  -3.048   9.770
  174   HD12  LEU  23          2HD1      LEU  23   6.689  -4.676  10.446
  175   HD13  LEU  23          3HD1      LEU  23   5.550  -3.482  11.070
  176   HD21  LEU  23          3HD2      LEU  23   4.875  -6.265   9.968
  177   HD22  LEU  23          1HD2      LEU  23   3.522  -5.799   8.937
  178   HD23  LEU  23          2HD2      LEU  23   3.657  -5.142  10.567
  179    H    TRP  24           H        TRP  24   3.791  -1.392   6.408
  180    HA   TRP  24           HA       TRP  24   1.190  -0.137   6.291
  181    HB2  TRP  24           2HB      TRP  24   3.777   1.157   7.146
  182    HB3  TRP  24           1HB      TRP  24   2.475   2.101   6.457
  183    HD1  TRP  24           HD       TRP  24   0.222   2.265   7.928
  184    HE1  TRP  24           1HE      TRP  24  -0.110   2.130  10.495
  185    HE3  TRP  24           3HE      TRP  24   4.614   0.112   9.128
  186    HZ2  TRP  24           2HZ      TRP  24   1.360   1.209  12.734
  187    HZ3  TRP  24           3HZ      TRP  24   5.128  -0.376  11.509
  188    HH2  TRP  24           HH       TRP  24   3.522   0.172  13.262
  189    H    CYS  25           H        CYS  25   0.797   0.442   4.299
  190    HA   CYS  25           HA       CYS  25   2.698   0.019   2.190
  191    HB2  CYS  25           2HB      CYS  25   0.175   1.680   2.088
  192    HB3  CYS  25           1HB      CYS  25   0.987   0.864   0.758
  193    H    LYS  26           H        LYS  26   4.122   1.576   1.486
  194    HA   LYS  26           HA       LYS  26   3.463   4.316   2.198
  195    HB2  LYS  26           2HB      LYS  26   6.234   3.106   2.189
  196    HB3  LYS  26           1HB      LYS  26   5.879   4.815   2.392
  197    HG2  LYS  26           2HG      LYS  26   4.536   4.067   4.459
  198    HG3  LYS  26           1HG      LYS  26   5.415   2.547   4.301
  199    HD2  LYS  26           2HD      LYS  26   6.626   5.295   4.641
  200    HD3  LYS  26           1HD      LYS  26   6.554   4.037   5.867
  201    HE2  LYS  26           2HE      LYS  26   8.019   3.841   3.244
  202    HE3  LYS  26           1HE      LYS  26   8.765   4.271   4.779
  203    HZ1  LYS  26           3HZ      LYS  26   8.167   2.087   5.638
  204    HZ2  LYS  26           1HZ      LYS  26   9.092   1.924   4.243
  205    HZ3  LYS  26           2HZ      LYS  26   7.436   1.672   4.179
  206    H    LYS  27           H        LYS  27   4.433   5.842   0.664
  207    HA   LYS  27           HA       LYS  27   4.057   4.719  -1.939
  208    HB2  LYS  27           2HB      LYS  27   4.145   6.919  -2.810
  209    HB3  LYS  27           1HB      LYS  27   3.215   7.020  -1.325
  210    HG2  LYS  27           2HG      LYS  27   5.136   7.962  -0.167
  211    HG3  LYS  27           1HG      LYS  27   6.117   7.783  -1.622
  212    HD2  LYS  27           2HD      LYS  27   3.675   9.539  -1.319
  213    HD3  LYS  27           1HD      LYS  27   5.346  10.087  -1.359
  214    HE2  LYS  27           2HE      LYS  27   3.863   8.733  -3.636
  215    HE3  LYS  27           1HE      LYS  27   4.212  10.441  -3.485
  216    HZ1  LYS  27           3HZ      LYS  27   6.306   8.309  -3.827
  217    HZ2  LYS  27           1HZ      LYS  27   6.581   9.971  -3.657
  218    HZ3  LYS  27           2HZ      LYS  27   5.756   9.393  -4.971
  219    H    LYS  28           H        LYS  28   5.542   4.713  -3.552
  220    HA   LYS  28           HA       LYS  28   8.200   4.181  -2.730
  221    HB2  LYS  28           2HB      LYS  28   6.949   4.439  -5.472
  222    HB3  LYS  28           1HB      LYS  28   8.592   3.878  -5.183
  223    HG2  LYS  28           2HG      LYS  28   7.763   1.976  -3.932
  224    HG3  LYS  28           1HG      LYS  28   6.110   2.545  -4.106
  225    HD2  LYS  28           2HD      LYS  28   7.911   1.743  -6.396
  226    HD3  LYS  28           1HD      LYS  28   6.702   0.697  -5.655
  227    HE2  LYS  28           2HE      LYS  28   4.957   2.348  -6.279
  228    HE3  LYS  28           1HE      LYS  28   6.191   3.298  -7.106
  229    HZ1  LYS  28           3HZ      LYS  28   4.981   1.890  -8.647
  230    HZ2  LYS  28           1HZ      LYS  28   5.398   0.517  -7.787
  231    HZ3  LYS  28           2HZ      LYS  28   6.577   1.414  -8.585
  232    H    LEU  29           H        LEU  29   9.835   5.523  -2.649
  233    HA   LEU  29           HA       LEU  29   9.423   8.247  -3.614
  234    HB2  LEU  29           2HB      LEU  29  11.235   7.234  -1.418
  235    HB3  LEU  29           1HB      LEU  29  11.242   8.880  -2.013
  236    HG   LEU  29           HG       LEU  29   8.965   7.512  -0.571
  237   HD11  LEU  29          1HD1      LEU  29   9.430   9.129   1.195
  238   HD12  LEU  29          2HD1      LEU  29  10.781   9.768   0.263
  239   HD13  LEU  29          3HD1      LEU  29  10.839   8.117   0.879
  240   HD21  LEU  29          3HD2      LEU  29   9.178  10.327  -1.644
  241   HD22  LEU  29          1HD2      LEU  29   7.887   9.723  -0.605
  242   HD23  LEU  29          2HD2      LEU  29   8.088   9.066  -2.224
  243    H    TRP  30           H        TRP  30  10.400   8.693  -5.336
  244    HA   TRP  30           HA       TRP  30  12.669   7.064  -6.202
  245    HB2  TRP  30           2HB      TRP  30  10.923   8.962  -7.771
  246    HB3  TRP  30           1HB      TRP  30  12.154   7.908  -8.450
  247    HD1  TRP  30           HD       TRP  30   8.571   8.022  -7.624
  248    HE1  TRP  30           1HE      TRP  30   7.480   5.696  -7.938
  249    HE3  TRP  30           3HE      TRP  30  12.813   5.223  -8.039
  250    HZ2  TRP  30           2HZ      TRP  30   8.350   3.023  -8.318
  251    HZ3  TRP  30           3HZ      TRP  30  12.605   2.796  -8.369
  252    HH2  TRP  30           HH       TRP  30  10.419   1.725  -8.502
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1  -9.879   2.268   3.585
    2    HA   TYR   1           HA       TYR   1 -10.662   1.213   1.748
    3    HB2  TYR   1           2HB      TYR   1 -11.808   3.910   0.984
    4    HB3  TYR   1           1HB      TYR   1 -12.116   2.401   0.136
    5    HD1  TYR   1           2HD      TYR   1 -13.458   0.622   1.240
    6    HD2  TYR   1           1HD      TYR   1 -12.971   4.463   2.999
    7    HE1  TYR   1           2HE      TYR   1 -15.368   0.183   2.706
    8    HE2  TYR   1           1HE      TYR   1 -14.877   4.037   4.472
    9    HH   TYR   1           HH       TYR   1 -16.201   0.966   4.895
   10    H    CYS   2           H        CYS   2  -9.010   4.175   1.598
   11    HA   CYS   2           HA       CYS   2  -7.448   3.118  -0.613
   12    HB2  CYS   2           2HB      CYS   2  -8.913   4.868  -1.483
   13    HB3  CYS   2           1HB      CYS   2  -8.179   5.998  -0.310
   14    H    GLN   3           H        GLN   3  -5.557   3.172  -0.317
   15    HA   GLN   3           HA       GLN   3  -4.635   3.823   2.308
   16    HB2  GLN   3           2HB      GLN   3  -3.569   1.943   0.235
   17    HB3  GLN   3           1HB      GLN   3  -2.546   2.449   1.578
   18    HG2  GLN   3           2HG      GLN   3  -3.658   0.333   2.001
   19    HG3  GLN   3           1HG      GLN   3  -4.070   1.573   3.180
   20   HE21  GLN   3          1HE2      GLN   3  -5.919   0.966   3.794
   21   HE22  GLN   3          2HE2      GLN   3  -7.315   0.839   2.787
   22    H    LYS   4           H        LYS   4  -3.917   5.992   2.246
   23    HA   LYS   4           HA       LYS   4  -2.142   6.733   0.038
   24    HB2  LYS   4           2HB      LYS   4  -3.720   8.408   1.959
   25    HB3  LYS   4           1HB      LYS   4  -2.629   9.070   0.729
   26    HG2  LYS   4           2HG      LYS   4  -4.016   7.850  -0.971
   27    HG3  LYS   4           1HG      LYS   4  -5.152   7.495   0.331
   28    HD2  LYS   4           2HD      LYS   4  -4.237  10.207  -0.469
   29    HD3  LYS   4           1HD      LYS   4  -5.741   9.468  -1.037
   30    HE2  LYS   4           2HE      LYS   4  -6.501   9.332   1.320
   31    HE3  LYS   4           1HE      LYS   4  -5.012  10.132   1.823
   32    HZ1  LYS   4           3HZ      LYS   4  -6.914  11.644   1.637
   33    HZ2  LYS   4           1HZ      LYS   4  -7.022  11.313  -0.004
   34    HZ3  LYS   4           2HZ      LYS   4  -5.662  12.094   0.622
   35    H    TRP   5           H        TRP   5  -0.185   6.545   0.401
   36    HA   TRP   5           HA       TRP   5   1.808   6.130   1.417
   37    HB2  TRP   5           2HB      TRP   5   1.637   8.625   1.739
   38    HB3  TRP   5           1HB      TRP   5   0.932   8.342   3.318
   39    HD1  TRP   5           HD       TRP   5   4.086   6.311   2.157
   40    HE1  TRP   5           1HE      TRP   5   6.038   6.998   3.598
   41    HE3  TRP   5           3HE      TRP   5   1.876  10.125   4.774
   42    HZ2  TRP   5           2HZ      TRP   5   6.629   8.885   5.630
   43    HZ3  TRP   5           3HZ      TRP   5   3.227  11.313   6.472
   44    HH2  TRP   5           HH       TRP   5   5.554  10.693   6.881
   45    H    MET   6           H        MET   6   2.084   6.504   4.476
   46    HA   MET   6           HA       MET   6   1.913   3.773   4.993
   47    HB2  MET   6           2HB      MET   6   2.453   4.331   7.348
   48    HB3  MET   6           1HB      MET   6   3.518   5.077   6.168
   49    HG2  MET   6           2HG      MET   6   2.303   7.193   6.426
   50    HG3  MET   6           1HG      MET   6   1.256   6.437   7.624
   51    HE1  MET   6           3HE      MET   6   3.398   8.794   9.848
   52    HE2  MET   6           1HE      MET   6   1.772   8.277   9.405
   53    HE3  MET   6           2HE      MET   6   2.778   9.126   8.229
   54    H    TRP   7           H        TRP   7   0.168   2.730   4.901
   55    HA   TRP   7           HA       TRP   7  -1.960   3.195   6.879
   56    HB2  TRP   7           2HB      TRP   7  -2.363   2.940   3.897
   57    HB3  TRP   7           1HB      TRP   7  -3.591   2.400   5.023
   58    HD1  TRP   7           HD       TRP   7  -1.589   5.703   4.855
   59    HE1  TRP   7           1HE      TRP   7  -3.264   7.659   4.863
   60    HE3  TRP   7           3HE      TRP   7  -5.897   3.027   4.932
   61    HZ2  TRP   7           2HZ      TRP   7  -6.044   8.006   4.899
   62    HZ3  TRP   7           3HZ      TRP   7  -8.043   4.250   4.944
   63    HH2  TRP   7           HH       TRP   7  -8.084   6.697   4.923
   64    H    THR   8           H        THR   8  -3.336   1.202   7.077
   65    HA   THR   8           HA       THR   8  -1.660  -1.102   6.791
   66    HB   THR   8           HB       THR   8  -3.599  -2.173   8.067
   67    HG1  THR   8           1HG      THR   8  -5.182  -0.669   7.578
   68   HG21  THR   8          3HG2      THR   8  -1.532  -1.446   9.179
   69   HG22  THR   8          1HG2      THR   8  -2.933  -1.139  10.204
   70   HG23  THR   8          2HG2      THR   8  -2.180   0.188   9.321
   71    H    CYS   9           H        CYS   9  -2.091  -2.787   5.406
   72    HA   CYS   9           HA       CYS   9  -4.268  -2.350   3.510
   73    HB2  CYS   9           2HB      CYS   9  -2.780  -3.796   1.971
   74    HB3  CYS   9           1HB      CYS   9  -2.275  -2.146   2.291
   75    H    ASP  10           H        ASP  10  -4.859  -4.535   2.370
   76    HA   ASP  10           HA       ASP  10  -5.164  -6.591   4.442
   77    HB2  ASP  10           2HB      ASP  10  -7.301  -5.633   2.494
   78    HB3  ASP  10           1HB      ASP  10  -7.416  -7.072   3.467
   79    H    SER  11           H        SER  11  -6.317  -8.545   2.968
   80    HA   SER  11           HA       SER  11  -4.188  -9.190   1.171
   81    HB2  SER  11           2HB      SER  11  -5.349 -10.867   2.706
   82    HB3  SER  11           1HB      SER  11  -6.748 -10.754   1.642
   83    HG   SER  11           HG       SER  11  -5.592 -11.654   0.008
   84    H    GLU  12           H        GLU  12  -7.633  -8.480   0.935
   85    HA   GLU  12           HA       GLU  12  -7.519  -8.420  -1.949
   86    HB2  GLU  12           2HB      GLU  12  -9.651  -7.778   0.035
   87    HB3  GLU  12           1HB      GLU  12  -9.898  -7.509  -1.675
   88    HG2  GLU  12           2HG      GLU  12  -9.281 -10.155  -0.344
   89    HG3  GLU  12           1HG      GLU  12 -10.864  -9.639  -0.924
   90    H    ARG  13           H        ARG  13  -7.567  -6.115   0.694
   91    HA   ARG  13           HA       ARG  13  -7.894  -3.845  -1.030
   92    HB2  ARG  13           2HB      ARG  13  -8.663  -3.880   1.373
   93    HB3  ARG  13           1HB      ARG  13  -6.970  -3.849   1.837
   94    HG2  ARG  13           2HG      ARG  13  -7.869  -1.639   2.020
   95    HG3  ARG  13           1HG      ARG  13  -6.700  -1.692   0.701
   96    HD2  ARG  13           2HD      ARG  13  -8.702  -0.401   0.112
   97    HD3  ARG  13           1HD      ARG  13  -8.513  -1.814  -0.922
   98    HE   ARG  13           HE       ARG  13 -10.110  -2.687   1.073
   99   HH11  ARG  13          1HH1      ARG  13 -10.362  -0.016  -1.223
  100   HH12  ARG  13          2HH1      ARG  13 -12.057   0.040  -1.204
  101   HH21  ARG  13          1HH2      ARG  13 -12.416  -2.563   1.196
  102   HH22  ARG  13          2HH2      ARG  13 -13.276  -1.455   0.243
  103    H    LYS  14           H        LYS  14  -6.361  -3.184  -2.266
  104    HA   LYS  14           HA       LYS  14  -3.572  -3.697  -1.573
  105    HB2  LYS  14           2HB      LYS  14  -4.788  -2.803  -4.189
  106    HB3  LYS  14           1HB      LYS  14  -3.135  -3.368  -3.938
  107    HG2  LYS  14           2HG      LYS  14  -3.929  -5.573  -3.364
  108    HG3  LYS  14           1HG      LYS  14  -5.598  -5.029  -3.468
  109    HD2  LYS  14           2HD      LYS  14  -5.147  -4.507  -5.897
  110    HD3  LYS  14           1HD      LYS  14  -3.605  -5.338  -5.698
  111    HE2  LYS  14           2HE      LYS  14  -5.278  -6.873  -6.586
  112    HE3  LYS  14           1HE      LYS  14  -4.780  -7.361  -4.967
  113    HZ1  LYS  14           3HZ      LYS  14  -7.182  -7.515  -5.195
  114    HZ2  LYS  14           1HZ      LYS  14  -7.272  -5.904  -5.668
  115    HZ3  LYS  14           2HZ      LYS  14  -6.831  -6.301  -4.093
  116    H    CYS  15           H        CYS  15  -2.053  -1.910  -2.152
  117    HA   CYS  15           HA       CYS  15  -3.079   0.442  -0.869
  118    HB2  CYS  15           2HB      CYS  15  -0.257  -0.076  -1.803
  119    HB3  CYS  15           1HB      CYS  15  -0.801   1.083  -0.591
  120    H    CYS  16           H        CYS  16  -3.635   2.258  -1.869
  121    HA   CYS  16           HA       CYS  16  -3.992   2.530  -4.624
  122    HB2  CYS  16           2HB      CYS  16  -3.768   4.690  -2.532
  123    HB3  CYS  16           1HB      CYS  16  -4.452   4.884  -4.137
  124    H    GLU  17           H        GLU  17  -3.059   4.244  -6.042
  125    HA   GLU  17           HA       GLU  17  -1.429   5.352  -7.096
  126    HB2  GLU  17           2HB      GLU  17  -0.500   5.478  -4.327
  127    HB3  GLU  17           1HB      GLU  17   0.435   6.281  -5.607
  128    HG2  GLU  17           2HG      GLU  17  -2.438   6.800  -4.773
  129    HG3  GLU  17           1HG      GLU  17  -1.061   7.827  -4.385
  130    H    GLY  18           H        GLY  18  -1.121   2.418  -6.160
  131    HA2  GLY  18           2HA      GLY  18   0.270   0.698  -6.798
  132    HA3  GLY  18           1HA      GLY  18   1.267   1.884  -7.644
  133    H    MET  19           H        MET  19   0.310   1.582  -4.259
  134    HA   MET  19           HA       MET  19   3.118   1.909  -3.586
  135    HB2  MET  19           2HB      MET  19   0.659   2.107  -1.834
  136    HB3  MET  19           1HB      MET  19   2.306   2.300  -1.250
  137    HG2  MET  19           2HG      MET  19   2.565   4.220  -2.825
  138    HG3  MET  19           1HG      MET  19   0.873   4.030  -3.243
  139    HE1  MET  19           3HE      MET  19   0.860   7.313  -1.161
  140    HE2  MET  19           1HE      MET  19   0.371   6.546  -2.670
  141    HE3  MET  19           2HE      MET  19   2.080   6.763  -2.311
  142    H    VAL  20           H        VAL  20   3.912   0.597  -1.721
  143    HA   VAL  20           HA       VAL  20   3.227  -2.142  -2.398
  144    HB   VAL  20           HB       VAL  20   5.541  -1.689  -2.743
  145   HG11  VAL  20          1HG1      VAL  20   5.861   0.279  -1.441
  146   HG12  VAL  20          2HG1      VAL  20   7.048  -0.926  -0.919
  147   HG13  VAL  20          3HG1      VAL  20   5.609  -0.615   0.051
  148   HG21  VAL  20          3HG2      VAL  20   5.277  -3.217  -0.154
  149   HG22  VAL  20          1HG2      VAL  20   6.674  -3.261  -1.230
  150   HG23  VAL  20          2HG2      VAL  20   5.118  -3.884  -1.777
  151    H    CYS  21           H        CYS  21   2.194  -3.464  -1.117
  152    HA   CYS  21           HA       CYS  21   1.340  -2.641   1.488
  153    HB2  CYS  21           2HB      CYS  21  -0.195  -3.888   0.015
  154    HB3  CYS  21           1HB      CYS  21   0.941  -5.224  -0.050
  155    H    ARG  22           H        ARG  22   2.060  -3.333   3.372
  156    HA   ARG  22           HA       ARG  22   3.878  -5.488   3.844
  157    HB2  ARG  22           2HB      ARG  22   5.222  -3.466   2.765
  158    HB3  ARG  22           1HB      ARG  22   4.921  -2.679   4.304
  159    HG2  ARG  22           2HG      ARG  22   7.108  -3.623   4.377
  160    HG3  ARG  22           1HG      ARG  22   6.091  -4.621   5.412
  161    HD2  ARG  22           2HD      ARG  22   7.463  -6.078   4.112
  162    HD3  ARG  22           1HD      ARG  22   5.816  -6.190   3.494
  163    HE   ARG  22           HE       ARG  22   7.536  -4.300   2.140
  164   HH11  ARG  22          1HH1      ARG  22   6.197  -7.567   2.143
  165   HH12  ARG  22          2HH1      ARG  22   6.598  -7.901   0.531
  166   HH21  ARG  22          1HH2      ARG  22   8.121  -4.749  -0.083
  167   HH22  ARG  22          2HH2      ARG  22   7.734  -6.251  -0.780
  168    H    LEU  23           H        LEU  23   4.778  -3.889   6.232
  169    HA   LEU  23           HA       LEU  23   2.541  -4.362   7.924
  170    HB2  LEU  23           2HB      LEU  23   4.906  -2.547   8.442
  171    HB3  LEU  23           1HB      LEU  23   3.787  -3.135   9.648
  172    HG   LEU  23           HG       LEU  23   5.730  -4.815   8.076
  173   HD11  LEU  23          1HD1      LEU  23   6.809  -5.122  10.247
  174   HD12  LEU  23          2HD1      LEU  23   5.666  -3.983  10.959
  175   HD13  LEU  23          3HD1      LEU  23   6.809  -3.435   9.735
  176   HD21  LEU  23          3HD2      LEU  23   5.028  -6.639   9.571
  177   HD22  LEU  23          1HD2      LEU  23   3.699  -6.067   8.562
  178   HD23  LEU  23          2HD2      LEU  23   3.791  -5.585  10.253
  179    H    TRP  24           H        TRP  24   3.795  -1.575   6.279
  180    HA   TRP  24           HA       TRP  24   1.171  -0.351   6.397
  181    HB2  TRP  24           2HB      TRP  24   3.794   0.961   7.088
  182    HB3  TRP  24           1HB      TRP  24   2.490   1.919   6.423
  183    HD1  TRP  24           HD       TRP  24   0.286   2.172   7.962
  184    HE1  TRP  24           1HE      TRP  24   0.007   2.064  10.523
  185    HE3  TRP  24           3HE      TRP  24   4.633  -0.117   9.072
  186    HZ2  TRP  24           2HZ      TRP  24   1.503   1.103  12.748
  187    HZ3  TRP  24           3HZ      TRP  24   5.184  -0.620  11.444
  188    HH2  TRP  24           HH       TRP  24   3.633  -0.010  13.237
  189    H    CYS  25           H        CYS  25   0.603   0.498   4.474
  190    HA   CYS  25           HA       CYS  25   2.083  -0.060   2.113
  191    HB2  CYS  25           2HB      CYS  25  -0.098   1.995   2.561
  192    HB3  CYS  25           1HB      CYS  25   0.474   1.423   1.002
  193    H    LYS  26           H        LYS  26   3.645   1.146   1.192
  194    HA   LYS  26           HA       LYS  26   3.937   3.930   1.988
  195    HB2  LYS  26           2HB      LYS  26   6.170   1.882   1.942
  196    HB3  LYS  26           1HB      LYS  26   6.405   3.617   2.065
  197    HG2  LYS  26           2HG      LYS  26   5.360   3.691   4.204
  198    HG3  LYS  26           1HG      LYS  26   4.829   2.021   4.077
  199    HD2  LYS  26           2HD      LYS  26   6.753   2.087   5.525
  200    HD3  LYS  26           1HD      LYS  26   7.257   1.354   4.004
  201    HE2  LYS  26           2HE      LYS  26   8.984   2.890   4.549
  202    HE3  LYS  26           1HE      LYS  26   7.986   3.675   3.320
  203    HZ1  LYS  26           3HZ      LYS  26   6.878   4.941   5.089
  204    HZ2  LYS  26           1HZ      LYS  26   8.546   5.188   5.117
  205    HZ3  LYS  26           2HZ      LYS  26   7.842   4.180   6.226
  206    H    LYS  27           H        LYS  27   5.180   5.132   0.403
  207    HA   LYS  27           HA       LYS  27   4.417   4.232  -2.198
  208    HB2  LYS  27           2HB      LYS  27   5.131   6.447  -2.971
  209    HB3  LYS  27           1HB      LYS  27   4.036   6.553  -1.606
  210    HG2  LYS  27           2HG      LYS  27   5.945   6.983  -0.123
  211    HG3  LYS  27           1HG      LYS  27   7.027   6.916  -1.517
  212    HD2  LYS  27           2HD      LYS  27   5.733   8.769  -2.547
  213    HD3  LYS  27           1HD      LYS  27   4.769   8.868  -1.075
  214    HE2  LYS  27           2HE      LYS  27   6.478  10.570  -1.021
  215    HE3  LYS  27           1HE      LYS  27   6.833   9.352   0.198
  216    HZ1  LYS  27           3HZ      LYS  27   8.506   8.409  -1.210
  217    HZ2  LYS  27           1HZ      LYS  27   8.799  10.057  -1.095
  218    HZ3  LYS  27           2HZ      LYS  27   8.119   9.413  -2.493
  219    H    LYS  28           H        LYS  28   5.709   3.936  -3.924
  220    HA   LYS  28           HA       LYS  28   8.138   2.581  -3.376
  221    HB2  LYS  28           2HB      LYS  28   6.816   3.345  -5.968
  222    HB3  LYS  28           1HB      LYS  28   8.281   2.386  -5.867
  223    HG2  LYS  28           2HG      LYS  28   7.106   0.649  -4.669
  224    HG3  LYS  28           1HG      LYS  28   5.633   1.620  -4.660
  225    HD2  LYS  28           2HD      LYS  28   5.473   1.501  -7.050
  226    HD3  LYS  28           1HD      LYS  28   7.042   0.707  -7.168
  227    HE2  LYS  28           2HE      LYS  28   4.631  -0.430  -5.758
  228    HE3  LYS  28           1HE      LYS  28   5.114  -0.840  -7.401
  229    HZ1  LYS  28           3HZ      LYS  28   6.735  -1.342  -4.943
  230    HZ2  LYS  28           1HZ      LYS  28   7.209  -1.695  -6.517
  231    HZ3  LYS  28           2HZ      LYS  28   5.908  -2.498  -5.854
  232    H    LEU  29           H        LEU  29   9.733   3.732  -2.730
  233    HA   LEU  29           HA       LEU  29  10.444   6.266  -3.926
  234    HB2  LEU  29           2HB      LEU  29  10.693   5.801  -1.484
  235    HB3  LEU  29           1HB      LEU  29  11.867   4.566  -1.871
  236    HG   LEU  29           HG       LEU  29  13.351   6.304  -2.820
  237   HD11  LEU  29          1HD1      LEU  29  11.711   7.959  -3.452
  238   HD12  LEU  29          2HD1      LEU  29  12.857   8.668  -2.311
  239   HD13  LEU  29          3HD1      LEU  29  11.252   8.187  -1.767
  240   HD21  LEU  29          3HD2      LEU  29  14.001   7.279  -0.667
  241   HD22  LEU  29          1HD2      LEU  29  13.635   5.559  -0.519
  242   HD23  LEU  29          2HD2      LEU  29  12.465   6.760   0.027
  243    H    TRP  30           H        TRP  30  11.428   2.948  -3.773
  244    HA   TRP  30           HA       TRP  30  13.143   3.290  -6.113
  245    HB2  TRP  30           2HB      TRP  30  14.635   3.228  -4.204
  246    HB3  TRP  30           1HB      TRP  30  13.839   1.806  -3.565
  247    HD1  TRP  30           HD       TRP  30  15.834   2.842  -6.580
  248    HE1  TRP  30           1HE      TRP  30  17.311   0.821  -7.358
  249    HE3  TRP  30           3HE      TRP  30  14.157  -0.600  -3.282
  250    HZ2  TRP  30           2HZ      TRP  30  17.655  -1.888  -6.592
  251    HZ3  TRP  30           3HZ      TRP  30  15.087  -2.875  -3.335
  252    HH2  TRP  30           HH       TRP  30  16.799  -3.500  -4.957
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1  -9.780   3.677   2.411
    2    HA   TYR   1           HA       TYR   1 -11.155   2.345   0.918
    3    HB2  TYR   1           2HB      TYR   1 -12.597   4.283   0.278
    4    HB3  TYR   1           1HB      TYR   1 -11.243   4.965  -0.608
    5    HD1  TYR   1           2HD      TYR   1 -13.625   2.140  -0.507
    6    HD2  TYR   1           1HD      TYR   1 -10.761   4.265  -2.823
    7    HE1  TYR   1           2HE      TYR   1 -14.325   0.900  -2.495
    8    HE2  TYR   1           1HE      TYR   1 -11.450   3.031  -4.821
    9    HH   TYR   1           HH       TYR   1 -14.264   1.134  -4.953
   10    H    CYS   2           H        CYS   2  -8.926   4.872   0.341
   11    HA   CYS   2           HA       CYS   2  -7.118   2.979  -0.884
   12    HB2  CYS   2           2HB      CYS   2  -7.869   5.667  -1.885
   13    HB3  CYS   2           1HB      CYS   2  -6.230   5.093  -2.174
   14    H    GLN   3           H        GLN   3  -5.034   3.257  -0.547
   15    HA   GLN   3           HA       GLN   3  -4.495   4.115   2.156
   16    HB2  GLN   3           2HB      GLN   3  -2.994   2.480   0.107
   17    HB3  GLN   3           1HB      GLN   3  -2.325   2.873   1.671
   18    HG2  GLN   3           2HG      GLN   3  -3.343   0.539   1.347
   19    HG3  GLN   3           1HG      GLN   3  -3.805   1.397   2.797
   20   HE21  GLN   3          1HE2      GLN   3  -5.917   1.873   3.110
   21   HE22  GLN   3          2HE2      GLN   3  -7.203   1.400   2.077
   22    H    LYS   4           H        LYS   4  -3.885   6.209   2.351
   23    HA   LYS   4           HA       LYS   4  -2.141   7.414   0.283
   24    HB2  LYS   4           2HB      LYS   4  -3.588   8.676   2.603
   25    HB3  LYS   4           1HB      LYS   4  -2.646   9.539   1.391
   26    HG2  LYS   4           2HG      LYS   4  -4.286   8.805  -0.298
   27    HG3  LYS   4           1HG      LYS   4  -5.231   8.063   1.003
   28    HD2  LYS   4           2HD      LYS   4  -5.254  10.256   2.144
   29    HD3  LYS   4           1HD      LYS   4  -4.468  10.934   0.720
   30    HE2  LYS   4           2HE      LYS   4  -6.369  10.269  -0.665
   31    HE3  LYS   4           1HE      LYS   4  -7.125   9.539   0.757
   32    HZ1  LYS   4           3HZ      LYS   4  -7.200  11.754   1.765
   33    HZ2  LYS   4           1HZ      LYS   4  -8.091  11.693   0.336
   34    HZ3  LYS   4           2HZ      LYS   4  -6.576  12.433   0.356
   35    H    TRP   5           H        TRP   5  -0.168   7.224   0.680
   36    HA   TRP   5           HA       TRP   5   1.787   6.620   1.684
   37    HB2  TRP   5           2HB      TRP   5   1.625   9.040   2.343
   38    HB3  TRP   5           1HB      TRP   5   0.818   8.563   3.826
   39    HD1  TRP   5           HD       TRP   5   3.960   6.779   2.454
   40    HE1  TRP   5           1HE      TRP   5   5.854   7.021   4.201
   41    HE3  TRP   5           3HE      TRP   5   1.652   9.920   5.723
   42    HZ2  TRP   5           2HZ      TRP   5   6.298   8.356   6.623
   43    HZ3  TRP   5           3HZ      TRP   5   2.868  10.634   7.735
   44    HH2  TRP   5           HH       TRP   5   5.154   9.862   8.172
   45    H    MET   6           H        MET   6   1.998   6.543   4.758
   46    HA   MET   6           HA       MET   6   1.780   3.797   4.898
   47    HB2  MET   6           2HB      MET   6   2.251   4.021   7.343
   48    HB3  MET   6           1HB      MET   6   3.383   4.861   6.300
   49    HG2  MET   6           2HG      MET   6   2.320   6.988   6.820
   50    HG3  MET   6           1HG      MET   6   1.104   6.164   7.789
   51    HE1  MET   6           3HE      MET   6   2.842   3.978   9.398
   52    HE2  MET   6           1HE      MET   6   1.575   5.000  10.085
   53    HE3  MET   6           2HE      MET   6   3.151   4.917  10.859
   54    H    TRP   7           H        TRP   7  -0.038   2.815   4.659
   55    HA   TRP   7           HA       TRP   7  -2.130   3.090   6.723
   56    HB2  TRP   7           2HB      TRP   7  -2.548   2.871   3.732
   57    HB3  TRP   7           1HB      TRP   7  -3.765   2.296   4.849
   58    HD1  TRP   7           HD       TRP   7  -1.848   5.648   4.834
   59    HE1  TRP   7           1HE      TRP   7  -3.573   7.575   4.735
   60    HE3  TRP   7           3HE      TRP   7  -6.125   2.917   4.547
   61    HZ2  TRP   7           2HZ      TRP   7  -6.337   7.884   4.553
   62    HZ3  TRP   7           3HZ      TRP   7  -8.276   4.102   4.407
   63    HH2  TRP   7           HH       TRP   7  -8.363   6.548   4.411
   64    H    THR   8           H        THR   8  -3.427   0.977   6.776
   65    HA   THR   8           HA       THR   8  -1.513  -1.157   6.524
   66    HB   THR   8           HB       THR   8  -3.458  -2.400   7.714
   67    HG1  THR   8           1HG      THR   8  -5.138  -1.079   7.537
   68   HG21  THR   8          3HG2      THR   8  -2.036  -0.081   9.046
   69   HG22  THR   8          1HG2      THR   8  -1.382  -1.705   8.839
   70   HG23  THR   8          2HG2      THR   8  -2.774  -1.442   9.890
   71    H    CYS   9           H        CYS   9  -1.936  -3.119   5.358
   72    HA   CYS   9           HA       CYS   9  -4.026  -2.881   3.324
   73    HB2  CYS   9           2HB      CYS   9  -2.467  -4.106   1.794
   74    HB3  CYS   9           1HB      CYS   9  -1.917  -2.494   2.235
   75    H    ASP  10           H        ASP  10  -4.578  -5.071   2.370
   76    HA   ASP  10           HA       ASP  10  -4.253  -7.321   4.187
   77    HB2  ASP  10           2HB      ASP  10  -6.941  -6.123   3.462
   78    HB3  ASP  10           1HB      ASP  10  -6.755  -7.752   4.084
   79    H    SER  11           H        SER  11  -5.835  -9.134   3.049
   80    HA   SER  11           HA       SER  11  -4.646  -9.687   0.595
   81    HB2  SER  11           2HB      SER  11  -6.477 -11.452   0.518
   82    HB3  SER  11           1HB      SER  11  -5.443 -11.471   1.949
   83    HG   SER  11           HG       SER  11  -8.106 -11.109   1.769
   84    H    GLU  12           H        GLU  12  -7.762  -8.304   1.443
   85    HA   GLU  12           HA       GLU  12  -8.485  -7.988  -1.352
   86    HB2  GLU  12           2HB      GLU  12  -9.930  -7.285   1.174
   87    HB3  GLU  12           1HB      GLU  12 -10.598  -7.086  -0.427
   88    HG2  GLU  12           2HG      GLU  12  -9.801  -9.671   0.898
   89    HG3  GLU  12           1HG      GLU  12 -11.443  -9.105   0.601
   90    H    ARG  13           H        ARG  13  -6.745  -6.254   0.899
   91    HA   ARG  13           HA       ARG  13  -7.659  -3.747  -0.264
   92    HB2  ARG  13           2HB      ARG  13  -7.840  -3.997   2.216
   93    HB3  ARG  13           1HB      ARG  13  -6.083  -4.050   2.280
   94    HG2  ARG  13           2HG      ARG  13  -6.798  -1.821   2.774
   95    HG3  ARG  13           1HG      ARG  13  -6.034  -1.843   1.186
   96    HD2  ARG  13           2HD      ARG  13  -8.102  -0.504   1.217
   97    HD3  ARG  13           1HD      ARG  13  -8.176  -1.841   0.079
   98    HE   ARG  13           HE       ARG  13  -9.246  -2.618   2.570
   99   HH11  ARG  13          1HH1      ARG  13 -10.041  -0.797  -0.359
  100   HH12  ARG  13          2HH1      ARG  13 -11.725  -0.840  -0.103
  101   HH21  ARG  13          1HH2      ARG  13 -11.585  -2.577   2.973
  102   HH22  ARG  13          2HH2      ARG  13 -12.615  -1.811   1.865
  103    H    LYS  14           H        LYS  14  -6.481  -3.253  -1.846
  104    HA   LYS  14           HA       LYS  14  -3.605  -3.792  -1.866
  105    HB2  LYS  14           2HB      LYS  14  -3.613  -3.394  -4.250
  106    HB3  LYS  14           1HB      LYS  14  -4.947  -4.469  -3.894
  107    HG2  LYS  14           2HG      LYS  14  -5.287  -1.498  -4.276
  108    HG3  LYS  14           1HG      LYS  14  -5.377  -2.649  -5.604
  109    HD2  LYS  14           2HD      LYS  14  -7.295  -3.725  -4.521
  110    HD3  LYS  14           1HD      LYS  14  -7.170  -2.594  -3.172
  111    HE2  LYS  14           2HE      LYS  14  -7.637  -0.735  -4.597
  112    HE3  LYS  14           1HE      LYS  14  -7.606  -1.760  -6.023
  113    HZ1  LYS  14           3HZ      LYS  14  -9.564  -1.976  -3.798
  114    HZ2  LYS  14           1HZ      LYS  14  -9.540  -2.915  -5.193
  115    HZ3  LYS  14           2HZ      LYS  14  -9.862  -1.272  -5.302
  116    H    CYS  15           H        CYS  15  -2.119  -2.109  -2.116
  117    HA   CYS  15           HA       CYS  15  -3.057   0.330  -0.950
  118    HB2  CYS  15           2HB      CYS  15  -0.261  -0.226  -1.902
  119    HB3  CYS  15           1HB      CYS  15  -0.845   0.876  -0.646
  120    H    CYS  16           H        CYS  16  -3.884   1.812  -2.119
  121    HA   CYS  16           HA       CYS  16  -3.721   2.029  -4.934
  122    HB2  CYS  16           2HB      CYS  16  -4.718   3.994  -2.886
  123    HB3  CYS  16           1HB      CYS  16  -4.969   4.180  -4.616
  124    H    GLU  17           H        GLU  17  -3.065   3.972  -6.141
  125    HA   GLU  17           HA       GLU  17  -1.609   5.422  -6.959
  126    HB2  GLU  17           2HB      GLU  17  -2.023   6.654  -4.772
  127    HB3  GLU  17           1HB      GLU  17  -0.568   5.889  -4.148
  128    HG2  GLU  17           2HG      GLU  17   0.709   6.983  -5.990
  129    HG3  GLU  17           1HG      GLU  17  -0.768   7.815  -6.452
  130    H    GLY  18           H        GLY  18  -1.036   2.607  -6.301
  131    HA2  GLY  18           2HA      GLY  18   0.636   1.097  -6.767
  132    HA3  GLY  18           1HA      GLY  18   1.544   2.445  -7.444
  133    H    MET  19           H        MET  19   0.449   1.434  -4.242
  134    HA   MET  19           HA       MET  19   3.172   1.949  -3.291
  135    HB2  MET  19           2HB      MET  19   0.565   2.012  -1.750
  136    HB3  MET  19           1HB      MET  19   2.157   2.191  -1.019
  137    HG2  MET  19           2HG      MET  19   2.518   4.192  -2.427
  138    HG3  MET  19           1HG      MET  19   0.867   4.029  -3.015
  139    HE1  MET  19           3HE      MET  19   0.691   7.183  -0.748
  140    HE2  MET  19           1HE      MET  19   0.294   6.493  -2.318
  141    HE3  MET  19           2HE      MET  19   1.972   6.668  -1.830
  142    H    VAL  20           H        VAL  20   3.910   0.477  -1.576
  143    HA   VAL  20           HA       VAL  20   3.184  -2.204  -2.425
  144    HB   VAL  20           HB       VAL  20   5.236  -2.973  -1.271
  145   HG11  VAL  20          1HG1      VAL  20   5.291  -2.384  -3.624
  146   HG12  VAL  20          2HG1      VAL  20   6.815  -1.996  -2.833
  147   HG13  VAL  20          3HG1      VAL  20   5.665  -0.709  -3.209
  148   HG21  VAL  20          3HG2      VAL  20   5.707  -0.031  -0.743
  149   HG22  VAL  20          1HG2      VAL  20   6.876  -1.325  -0.466
  150   HG23  VAL  20          2HG2      VAL  20   5.382  -1.266   0.473
  151    H    CYS  21           H        CYS  21   2.525  -3.819  -1.123
  152    HA   CYS  21           HA       CYS  21   1.262  -3.019   1.341
  153    HB2  CYS  21           2HB      CYS  21   0.055  -4.487  -0.233
  154    HB3  CYS  21           1HB      CYS  21   1.320  -5.695  -0.081
  155    H    ARG  22           H        ARG  22   2.035  -3.347   3.278
  156    HA   ARG  22           HA       ARG  22   4.064  -5.292   3.931
  157    HB2  ARG  22           2HB      ARG  22   5.002  -3.022   2.846
  158    HB3  ARG  22           1HB      ARG  22   4.699  -2.410   4.461
  159    HG2  ARG  22           2HG      ARG  22   7.018  -3.070   4.155
  160    HG3  ARG  22           1HG      ARG  22   6.237  -4.065   5.382
  161    HD2  ARG  22           2HD      ARG  22   7.682  -5.340   3.762
  162    HD3  ARG  22           1HD      ARG  22   6.024  -5.908   3.854
  163    HE   ARG  22           HE       ARG  22   5.582  -4.969   1.764
  164   HH11  ARG  22          1HH1      ARG  22   9.006  -4.611   2.644
  165   HH12  ARG  22          2HH1      ARG  22   9.552  -4.453   1.053
  166   HH21  ARG  22          1HH2      ARG  22   6.353  -4.782  -0.454
  167   HH22  ARG  22          2HH2      ARG  22   8.008  -4.530  -0.743
  168    H    LEU  23           H        LEU  23   4.694  -3.822   6.417
  169    HA   LEU  23           HA       LEU  23   2.366  -4.228   7.966
  170    HB2  LEU  23           2HB      LEU  23   4.675  -2.347   8.584
  171    HB3  LEU  23           1HB      LEU  23   3.482  -2.902   9.724
  172    HG   LEU  23           HG       LEU  23   5.530  -4.653   8.376
  173   HD11  LEU  23          1HD1      LEU  23   5.352  -3.625  11.197
  174   HD12  LEU  23          2HD1      LEU  23   6.523  -3.122   9.977
  175   HD13  LEU  23          3HD1      LEU  23   6.541  -4.775  10.587
  176   HD21  LEU  23          3HD2      LEU  23   3.481  -5.874   8.882
  177   HD22  LEU  23          1HD2      LEU  23   3.511  -5.259  10.536
  178   HD23  LEU  23          2HD2      LEU  23   4.777  -6.350   9.977
  179    H    TRP  24           H        TRP  24   3.747  -1.460   6.385
  180    HA   TRP  24           HA       TRP  24   1.108  -0.268   6.266
  181    HB2  TRP  24           2HB      TRP  24   3.659   1.115   7.049
  182    HB3  TRP  24           1HB      TRP  24   2.341   2.006   6.312
  183    HD1  TRP  24           HD       TRP  24   0.014   2.060   7.725
  184    HE1  TRP  24           1HE      TRP  24  -0.369   2.012  10.283
  185    HE3  TRP  24           3HE      TRP  24   4.534   0.277   9.103
  186    HZ2  TRP  24           2HZ      TRP  24   1.130   1.305  12.592
  187    HZ3  TRP  24           3HZ      TRP  24   5.024  -0.067  11.505
  188    HH2  TRP  24           HH       TRP  24   3.356   0.439  13.201
  189    H    CYS  25           H        CYS  25   0.584   0.425   4.340
  190    HA   CYS  25           HA       CYS  25   2.145  -0.128   2.045
  191    HB2  CYS  25           2HB      CYS  25  -0.186   1.777   2.354
  192    HB3  CYS  25           1HB      CYS  25   0.460   1.160   0.841
  193    H    LYS  26           H        LYS  26   3.740   1.072   1.252
  194    HA   LYS  26           HA       LYS  26   3.674   3.927   1.684
  195    HB2  LYS  26           2HB      LYS  26   6.090   2.189   2.204
  196    HB3  LYS  26           1HB      LYS  26   6.183   3.923   1.962
  197    HG2  LYS  26           2HG      LYS  26   4.666   4.218   3.913
  198    HG3  LYS  26           1HG      LYS  26   4.776   2.479   4.194
  199    HD2  LYS  26           2HD      LYS  26   7.147   2.634   4.533
  200    HD3  LYS  26           1HD      LYS  26   7.138   4.337   4.074
  201    HE2  LYS  26           2HE      LYS  26   5.639   4.778   6.007
  202    HE3  LYS  26           1HE      LYS  26   5.846   3.100   6.501
  203    HZ1  LYS  26           3HZ      LYS  26   7.332   4.624   7.668
  204    HZ2  LYS  26           1HZ      LYS  26   8.025   5.095   6.220
  205    HZ3  LYS  26           2HZ      LYS  26   8.227   3.517   6.779
  206    H    LYS  27           H        LYS  27   5.254   5.008   0.242
  207    HA   LYS  27           HA       LYS  27   4.667   3.983  -2.397
  208    HB2  LYS  27           2HB      LYS  27   5.208   6.288  -3.118
  209    HB3  LYS  27           1HB      LYS  27   3.921   6.198  -1.928
  210    HG2  LYS  27           2HG      LYS  27   5.511   6.866  -0.180
  211    HG3  LYS  27           1HG      LYS  27   6.778   6.991  -1.404
  212    HD2  LYS  27           2HD      LYS  27   5.502   8.691  -2.574
  213    HD3  LYS  27           1HD      LYS  27   4.197   8.547  -1.397
  214    HE2  LYS  27           2HE      LYS  27   5.765   9.269   0.373
  215    HE3  LYS  27           1HE      LYS  27   7.016   9.477  -0.853
  216    HZ1  LYS  27           3HZ      LYS  27   5.937  11.557  -0.327
  217    HZ2  LYS  27           1HZ      LYS  27   4.433  10.937  -0.754
  218    HZ3  LYS  27           2HZ      LYS  27   5.637  11.145  -1.923
  219    H    LYS  28           H        LYS  28   6.402   5.120  -3.960
  220    HA   LYS  28           HA       LYS  28   8.717   3.539  -3.886
  221    HB2  LYS  28           2HB      LYS  28   9.405   4.844  -5.852
  222    HB3  LYS  28           1HB      LYS  28   7.732   4.320  -5.976
  223    HG2  LYS  28           2HG      LYS  28   6.987   6.573  -5.316
  224    HG3  LYS  28           1HG      LYS  28   8.667   7.088  -5.205
  225    HD2  LYS  28           2HD      LYS  28   7.781   7.824  -7.316
  226    HD3  LYS  28           1HD      LYS  28   8.935   6.528  -7.618
  227    HE2  LYS  28           2HE      LYS  28   6.988   6.219  -9.019
  228    HE3  LYS  28           1HE      LYS  28   7.044   4.938  -7.813
  229    HZ1  LYS  28           3HZ      LYS  28   5.372   6.158  -6.528
  230    HZ2  LYS  28           1HZ      LYS  28   4.806   5.813  -8.066
  231    HZ3  LYS  28           2HZ      LYS  28   5.319   7.359  -7.714
  232    H    LEU  29           H        LEU  29  10.847   4.112  -3.555
  233    HA   LEU  29           HA       LEU  29  11.303   5.800  -1.377
  234    HB2  LEU  29           2HB      LEU  29  13.241   4.503  -3.288
  235    HB3  LEU  29           1HB      LEU  29  13.780   5.513  -1.969
  236    HG   LEU  29           HG       LEU  29  12.667   3.906  -0.382
  237   HD11  LEU  29          1HD1      LEU  29  12.140   1.660  -1.149
  238   HD12  LEU  29          2HD1      LEU  29  12.408   2.161  -2.818
  239   HD13  LEU  29          3HD1      LEU  29  11.080   2.861  -1.890
  240   HD21  LEU  29          3HD2      LEU  29  14.431   2.219  -0.544
  241   HD22  LEU  29          1HD2      LEU  29  15.057   3.853  -0.764
  242   HD23  LEU  29          2HD2      LEU  29  14.830   2.799  -2.161
  243    H    TRP  30           H        TRP  30  11.067   7.828  -1.403
  244    HA   TRP  30           HA       TRP  30  11.816   9.422  -3.746
  245    HB2  TRP  30           2HB      TRP  30   9.481   9.582  -2.965
  246    HB3  TRP  30           1HB      TRP  30  10.031  10.112  -1.392
  247    HD1  TRP  30           HD       TRP  30   9.460  11.263  -4.885
  248    HE1  TRP  30           1HE      TRP  30   9.637  13.855  -4.988
  249    HE3  TRP  30           3HE      TRP  30  11.264  12.130  -0.206
  250    HZ2  TRP  30           2HZ      TRP  30  10.442  15.954  -3.296
  251    HZ3  TRP  30           3HZ      TRP  30  11.717  14.456   0.482
  252    HH2  TRP  30           HH       TRP  30  11.310  16.318  -1.033
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1 -10.475   6.520   1.425
    2    HA   TYR   1           HA       TYR   1 -11.477   4.343   1.498
    3    HB2  TYR   1           2HB      TYR   1 -11.127   4.379  -1.508
    4    HB3  TYR   1           1HB      TYR   1 -11.848   3.108  -0.542
    5    HD1  TYR   1           2HD      TYR   1 -14.115   3.401   0.388
    6    HD2  TYR   1           1HD      TYR   1 -12.349   6.302  -2.162
    7    HE1  TYR   1           2HE      TYR   1 -16.329   4.376  -0.029
    8    HE2  TYR   1           1HE      TYR   1 -14.534   7.276  -2.593
    9    HH   TYR   1           HH       TYR   1 -17.296   6.509  -0.766
   10    H    CYS   2           H        CYS   2  -8.981   5.650  -0.425
   11    HA   CYS   2           HA       CYS   2  -7.467   3.201  -0.391
   12    HB2  CYS   2           2HB      CYS   2  -7.146   5.716  -1.959
   13    HB3  CYS   2           1HB      CYS   2  -5.876   4.504  -1.855
   14    H    GLN   3           H        GLN   3  -5.299   3.157  -0.082
   15    HA   GLN   3           HA       GLN   3  -4.548   4.166   2.492
   16    HB2  GLN   3           2HB      GLN   3  -3.424   2.228   0.495
   17    HB3  GLN   3           1HB      GLN   3  -2.534   2.636   1.931
   18    HG2  GLN   3           2HG      GLN   3  -3.734   0.479   2.079
   19    HG3  GLN   3           1HG      GLN   3  -4.252   1.610   3.315
   20   HE21  GLN   3          1HE2      GLN   3  -6.316   2.329   3.317
   21   HE22  GLN   3          2HE2      GLN   3  -7.536   1.702   2.296
   22    H    LYS   4           H        LYS   4  -3.783   6.257   2.321
   23    HA   LYS   4           HA       LYS   4  -1.961   6.840   0.112
   24    HB2  LYS   4           2HB      LYS   4  -3.452   8.646   1.973
   25    HB3  LYS   4           1HB      LYS   4  -2.331   9.193   0.730
   26    HG2  LYS   4           2HG      LYS   4  -3.714   8.241  -1.003
   27    HG3  LYS   4           1HG      LYS   4  -4.821   7.589   0.210
   28    HD2  LYS   4           2HD      LYS   4  -4.125  10.443  -0.051
   29    HD3  LYS   4           1HD      LYS   4  -5.514   9.733  -0.899
   30    HE2  LYS   4           2HE      LYS   4  -5.088   9.800   2.118
   31    HE3  LYS   4           1HE      LYS   4  -6.196  10.830   1.227
   32    HZ1  LYS   4           3HZ      LYS   4  -6.435   7.843   1.379
   33    HZ2  LYS   4           1HZ      LYS   4  -7.468   8.916   0.589
   34    HZ3  LYS   4           2HZ      LYS   4  -7.338   8.969   2.251
   35    H    TRP   5           H        TRP   5  -0.058   6.653   0.510
   36    HA   TRP   5           HA       TRP   5   1.930   6.206   1.521
   37    HB2  TRP   5           2HB      TRP   5   1.320   8.750   2.221
   38    HB3  TRP   5           1HB      TRP   5   1.418   8.024   3.824
   39    HD1  TRP   5           HD       TRP   5   3.894   5.993   3.158
   40    HE1  TRP   5           1HE      TRP   5   6.242   6.987   2.888
   41    HE3  TRP   5           3HE      TRP   5   2.617  10.852   2.191
   42    HZ2  TRP   5           2HZ      TRP   5   7.409   9.505   2.347
   43    HZ3  TRP   5           3HZ      TRP   5   4.418  12.486   1.810
   44    HH2  TRP   5           HH       TRP   5   6.762  11.816   1.891
   45    H    MET   6           H        MET   6   2.156   6.452   4.598
   46    HA   MET   6           HA       MET   6   1.792   3.669   4.933
   47    HB2  MET   6           2HB      MET   6   2.529   3.941   7.255
   48    HB3  MET   6           1HB      MET   6   3.605   4.710   6.104
   49    HG2  MET   6           2HG      MET   6   2.625   6.886   6.672
   50    HG3  MET   6           1HG      MET   6   1.573   6.095   7.841
   51    HE1  MET   6           3HE      MET   6   3.576   3.858   9.062
   52    HE2  MET   6           1HE      MET   6   2.449   4.835  10.008
   53    HE3  MET   6           2HE      MET   6   4.146   4.743  10.472
   54    H    TRP   7           H        TRP   7   0.028   2.773   4.879
   55    HA   TRP   7           HA       TRP   7  -1.994   3.307   6.965
   56    HB2  TRP   7           2HB      TRP   7  -2.499   3.022   4.001
   57    HB3  TRP   7           1HB      TRP   7  -3.763   2.593   5.125
   58    HD1  TRP   7           HD       TRP   7  -1.503   5.741   5.044
   59    HE1  TRP   7           1HE      TRP   7  -3.007   7.807   4.932
   60    HE3  TRP   7           3HE      TRP   7  -6.007   3.417   4.841
   61    HZ2  TRP   7           2HZ      TRP   7  -5.746   8.387   4.772
   62    HZ3  TRP   7           3HZ      TRP   7  -8.038   4.807   4.690
   63    HH2  TRP   7           HH       TRP   7  -7.886   7.245   4.662
   64    H    THR   8           H        THR   8  -3.652   1.296   6.806
   65    HA   THR   8           HA       THR   8  -1.931  -0.996   6.927
   66    HB   THR   8           HB       THR   8  -4.074  -2.012   7.929
   67    HG1  THR   8           1HG      THR   8  -5.768  -0.771   7.871
   68   HG21  THR   8          3HG2      THR   8  -3.699  -0.915  10.109
   69   HG22  THR   8          1HG2      THR   8  -2.792   0.363   9.302
   70   HG23  THR   8          2HG2      THR   8  -2.169  -1.286   9.314
   71    H    CYS   9           H        CYS   9  -2.327  -2.870   5.667
   72    HA   CYS   9           HA       CYS   9  -4.273  -2.512   3.508
   73    HB2  CYS   9           2HB      CYS   9  -2.640  -3.693   2.013
   74    HB3  CYS   9           1HB      CYS   9  -2.160  -2.076   2.508
   75    H    ASP  10           H        ASP  10  -4.820  -4.534   2.413
   76    HA   ASP  10           HA       ASP  10  -4.731  -6.867   4.194
   77    HB2  ASP  10           2HB      ASP  10  -7.082  -5.785   2.601
   78    HB3  ASP  10           1HB      ASP  10  -7.032  -7.420   3.233
   79    H    SER  11           H        SER  11  -5.412  -8.836   2.731
   80    HA   SER  11           HA       SER  11  -3.735  -8.789   0.417
   81    HB2  SER  11           2HB      SER  11  -5.727 -10.880   1.319
   82    HB3  SER  11           1HB      SER  11  -4.388 -11.113   0.193
   83    HG   SER  11           HG       SER  11  -3.227 -10.147   2.278
   84    H    GLU  12           H        GLU  12  -7.026  -8.274   1.166
   85    HA   GLU  12           HA       GLU  12  -7.972  -8.560  -1.570
   86    HB2  GLU  12           2HB      GLU  12  -9.453  -7.790   0.942
   87    HB3  GLU  12           1HB      GLU  12 -10.183  -8.167  -0.613
   88    HG2  GLU  12           2HG      GLU  12  -8.568 -10.082   1.055
   89    HG3  GLU  12           1HG      GLU  12 -10.328 -10.029   0.982
   90    H    ARG  13           H        ARG  13  -7.140  -6.108   0.731
   91    HA   ARG  13           HA       ARG  13  -8.064  -4.015  -1.106
   92    HB2  ARG  13           2HB      ARG  13  -8.899  -4.104   1.326
   93    HB3  ARG  13           1HB      ARG  13  -7.264  -3.643   1.769
   94    HG2  ARG  13           2HG      ARG  13  -8.493  -1.645   1.727
   95    HG3  ARG  13           1HG      ARG  13  -7.538  -1.655   0.255
   96    HD2  ARG  13           2HD      ARG  13  -9.879  -0.935  -0.155
   97    HD3  ARG  13           1HD      ARG  13  -9.451  -2.386  -1.060
   98    HE   ARG  13           HE       ARG  13 -10.555  -3.221   1.344
   99   HH11  ARG  13          1HH1      ARG  13 -11.735  -1.447  -1.490
  100   HH12  ARG  13          2HH1      ARG  13 -13.328  -2.011  -1.330
  101   HH21  ARG  13          1HH2      ARG  13 -12.707  -3.954   1.548
  102   HH22  ARG  13          2HH2      ARG  13 -13.916  -3.438   0.473
  103    H    LYS  14           H        LYS  14  -6.390  -3.347  -2.296
  104    HA   LYS  14           HA       LYS  14  -3.713  -3.660  -1.168
  105    HB2  LYS  14           2HB      LYS  14  -2.837  -3.427  -3.423
  106    HB3  LYS  14           1HB      LYS  14  -3.984  -4.748  -3.315
  107    HG2  LYS  14           2HG      LYS  14  -5.694  -3.387  -4.385
  108    HG3  LYS  14           1HG      LYS  14  -4.581  -2.017  -4.456
  109    HD2  LYS  14           2HD      LYS  14  -4.116  -4.690  -5.785
  110    HD3  LYS  14           1HD      LYS  14  -4.767  -3.267  -6.595
  111    HE2  LYS  14           2HE      LYS  14  -2.722  -2.053  -6.218
  112    HE3  LYS  14           1HE      LYS  14  -2.068  -3.352  -5.231
  113    HZ1  LYS  14           3HZ      LYS  14  -2.705  -3.550  -8.124
  114    HZ2  LYS  14           1HZ      LYS  14  -2.086  -4.781  -7.160
  115    HZ3  LYS  14           2HZ      LYS  14  -1.165  -3.412  -7.453
  116    H    CYS  15           H        CYS  15  -2.123  -2.029  -1.636
  117    HA   CYS  15           HA       CYS  15  -3.088   0.502  -0.789
  118    HB2  CYS  15           2HB      CYS  15  -0.301  -0.179  -1.694
  119    HB3  CYS  15           1HB      CYS  15  -0.831   1.052  -0.542
  120    H    CYS  16           H        CYS  16  -3.806   1.978  -2.094
  121    HA   CYS  16           HA       CYS  16  -3.712   1.729  -4.937
  122    HB2  CYS  16           2HB      CYS  16  -4.702   4.031  -3.273
  123    HB3  CYS  16           1HB      CYS  16  -5.034   3.780  -4.976
  124    H    GLU  17           H        GLU  17  -3.179   3.676  -6.346
  125    HA   GLU  17           HA       GLU  17  -1.737   5.089  -7.283
  126    HB2  GLU  17           2HB      GLU  17  -2.088   6.374  -5.079
  127    HB3  GLU  17           1HB      GLU  17  -0.568   5.671  -4.552
  128    HG2  GLU  17           2HG      GLU  17   0.492   6.724  -6.579
  129    HG3  GLU  17           1HG      GLU  17  -1.023   7.586  -6.824
  130    H    GLY  18           H        GLY  18  -1.154   2.298  -6.466
  131    HA2  GLY  18           2HA      GLY  18   0.489   0.776  -6.947
  132    HA3  GLY  18           1HA      GLY  18   1.408   2.108  -7.640
  133    H    MET  19           H        MET  19   0.245   1.645  -4.359
  134    HA   MET  19           HA       MET  19   2.983   2.031  -3.444
  135    HB2  MET  19           2HB      MET  19   0.336   2.191  -1.988
  136    HB3  MET  19           1HB      MET  19   1.887   2.330  -1.168
  137    HG2  MET  19           2HG      MET  19   2.410   4.303  -2.533
  138    HG3  MET  19           1HG      MET  19   0.859   4.147  -3.346
  139    HE1  MET  19           3HE      MET  19   1.808   6.864  -2.074
  140    HE2  MET  19           1HE      MET  19   0.355   7.380  -1.219
  141    HE3  MET  19           2HE      MET  19   0.225   6.660  -2.821
  142    H    VAL  20           H        VAL  20   3.633   0.671  -1.549
  143    HA   VAL  20           HA       VAL  20   2.986  -2.065  -2.338
  144    HB   VAL  20           HB       VAL  20   5.120  -2.731  -1.303
  145   HG11  VAL  20          1HG1      VAL  20   5.104  -2.199  -3.658
  146   HG12  VAL  20          2HG1      VAL  20   6.621  -1.656  -2.940
  147   HG13  VAL  20          3HG1      VAL  20   5.350  -0.491  -3.301
  148   HG21  VAL  20          3HG2      VAL  20   5.525   0.225  -0.827
  149   HG22  VAL  20          1HG2      VAL  20   6.742  -1.032  -0.604
  150   HG23  VAL  20          2HG2      VAL  20   5.304  -1.008   0.417
  151    H    CYS  21           H        CYS  21   2.415  -3.618  -0.915
  152    HA   CYS  21           HA       CYS  21   1.340  -2.689   1.625
  153    HB2  CYS  21           2HB      CYS  21  -0.157  -3.937   0.102
  154    HB3  CYS  21           1HB      CYS  21   1.030  -5.246   0.116
  155    H    ARG  22           H        ARG  22   2.675  -2.829   3.222
  156    HA   ARG  22           HA       ARG  22   4.232  -5.287   3.707
  157    HB2  ARG  22           2HB      ARG  22   5.464  -3.211   2.791
  158    HB3  ARG  22           1HB      ARG  22   5.127  -2.468   4.342
  159    HG2  ARG  22           2HG      ARG  22   7.399  -3.365   4.336
  160    HG3  ARG  22           1HG      ARG  22   6.425  -4.285   5.474
  161    HD2  ARG  22           2HD      ARG  22   6.157  -6.066   3.829
  162    HD3  ARG  22           1HD      ARG  22   7.067  -5.123   2.647
  163    HE   ARG  22           HE       ARG  22   8.552  -5.502   5.025
  164   HH11  ARG  22          1HH1      ARG  22   7.542  -7.279   2.119
  165   HH12  ARG  22          2HH1      ARG  22   8.917  -8.284   2.097
  166   HH21  ARG  22          1HH2      ARG  22  10.376  -6.841   5.000
  167   HH22  ARG  22          2HH2      ARG  22  10.622  -8.018   3.787
  168    H    LEU  23           H        LEU  23   5.015  -3.751   6.198
  169    HA   LEU  23           HA       LEU  23   2.853  -4.489   7.879
  170    HB2  LEU  23           2HB      LEU  23   5.003  -2.423   8.417
  171    HB3  LEU  23           1HB      LEU  23   3.988  -3.175   9.627
  172    HG   LEU  23           HG       LEU  23   6.107  -4.551   7.977
  173   HD11  LEU  23          1HD1      LEU  23   7.011  -3.084   9.689
  174   HD12  LEU  23          2HD1      LEU  23   7.276  -4.777  10.100
  175   HD13  LEU  23          3HD1      LEU  23   6.000  -3.865  10.904
  176   HD21  LEU  23          3HD2      LEU  23   4.319  -5.642  10.152
  177   HD22  LEU  23          1HD2      LEU  23   5.671  -6.496   9.407
  178   HD23  LEU  23          2HD2      LEU  23   4.261  -6.069   8.441
  179    H    TRP  24           H        TRP  24   3.814  -1.592   6.262
  180    HA   TRP  24           HA       TRP  24   1.117  -0.532   6.518
  181    HB2  TRP  24           2HB      TRP  24   3.729   0.894   6.948
  182    HB3  TRP  24           1HB      TRP  24   2.352   1.780   6.340
  183    HD1  TRP  24           HD       TRP  24   0.327   2.166   8.041
  184    HE1  TRP  24           1HE      TRP  24   0.254   2.150  10.630
  185    HE3  TRP  24           3HE      TRP  24   4.660  -0.214   8.886
  186    HZ2  TRP  24           2HZ      TRP  24   1.883   1.227  12.751
  187    HZ3  TRP  24           3HZ      TRP  24   5.395  -0.656  11.237
  188    HH2  TRP  24           HH       TRP  24   4.012   0.066  13.116
  189    H    CYS  25           H        CYS  25   0.449   0.472   4.639
  190    HA   CYS  25           HA       CYS  25   1.747  -0.126   2.166
  191    HB2  CYS  25           2HB      CYS  25  -0.312   1.978   2.849
  192    HB3  CYS  25           1HB      CYS  25   0.202   1.567   1.219
  193    H    LYS  26           H        LYS  26   3.416   0.866   1.349
  194    HA   LYS  26           HA       LYS  26   3.877   3.640   2.099
  195    HB2  LYS  26           2HB      LYS  26   5.946   1.447   2.171
  196    HB3  LYS  26           1HB      LYS  26   6.349   3.154   2.169
  197    HG2  LYS  26           2HG      LYS  26   5.102   3.424   4.271
  198    HG3  LYS  26           1HG      LYS  26   4.772   1.691   4.272
  199    HD2  LYS  26           2HD      LYS  26   7.144   1.218   4.373
  200    HD3  LYS  26           1HD      LYS  26   7.509   2.942   4.288
  201    HE2  LYS  26           2HE      LYS  26   6.298   3.288   6.386
  202    HE3  LYS  26           1HE      LYS  26   5.969   1.563   6.474
  203    HZ1  LYS  26           3HZ      LYS  26   7.858   2.194   7.831
  204    HZ2  LYS  26           1HZ      LYS  26   8.688   2.770   6.486
  205    HZ3  LYS  26           2HZ      LYS  26   8.327   1.134   6.621
  206    H    LYS  27           H        LYS  27   5.744   4.453   0.626
  207    HA   LYS  27           HA       LYS  27   4.780   3.781  -2.012
  208    HB2  LYS  27           2HB      LYS  27   6.587   6.024  -1.106
  209    HB3  LYS  27           1HB      LYS  27   5.952   5.817  -2.734
  210    HG2  LYS  27           2HG      LYS  27   3.655   5.984  -1.775
  211    HG3  LYS  27           1HG      LYS  27   4.389   6.406  -0.231
  212    HD2  LYS  27           2HD      LYS  27   4.708   7.935  -2.814
  213    HD3  LYS  27           1HD      LYS  27   3.647   8.379  -1.484
  214    HE2  LYS  27           2HE      LYS  27   5.592   8.647  -0.022
  215    HE3  LYS  27           1HE      LYS  27   6.658   8.175  -1.343
  216    HZ1  LYS  27           3HZ      LYS  27   6.596  10.556  -1.150
  217    HZ2  LYS  27           1HZ      LYS  27   4.908  10.574  -1.289
  218    HZ3  LYS  27           2HZ      LYS  27   5.860  10.101  -2.590
  219    H    LYS  28           H        LYS  28   6.159   3.216  -3.653
  220    HA   LYS  28           HA       LYS  28   8.292   1.530  -2.882
  221    HB2  LYS  28           2HB      LYS  28   7.063   0.922  -4.798
  222    HB3  LYS  28           1HB      LYS  28   7.286   2.502  -5.552
  223    HG2  LYS  28           2HG      LYS  28   8.618   0.791  -6.655
  224    HG3  LYS  28           1HG      LYS  28   9.649   1.990  -5.883
  225    HD2  LYS  28           2HD      LYS  28   9.878   0.450  -3.963
  226    HD3  LYS  28           1HD      LYS  28   8.999  -0.774  -4.880
  227    HE2  LYS  28           2HE      LYS  28  10.696  -0.723  -6.620
  228    HE3  LYS  28           1HE      LYS  28  11.548   0.568  -5.778
  229    HZ1  LYS  28           3HZ      LYS  28  12.604  -1.520  -5.327
  230    HZ2  LYS  28           1HZ      LYS  28  11.163  -2.205  -4.783
  231    HZ3  LYS  28           2HZ      LYS  28  11.889  -0.959  -3.923
  232    H    LEU  29           H        LEU  29  10.284   2.014  -2.545
  233    HA   LEU  29           HA       LEU  29  11.140   4.750  -2.958
  234    HB2  LEU  29           2HB      LEU  29  12.590   2.515  -1.513
  235    HB3  LEU  29           1HB      LEU  29  13.150   4.162  -1.631
  236    HG   LEU  29           HG       LEU  29  12.343   3.995   0.519
  237   HD11  LEU  29          1HD1      LEU  29  11.530   5.998  -0.475
  238   HD12  LEU  29          2HD1      LEU  29  10.366   5.387   0.700
  239   HD13  LEU  29          3HD1      LEU  29  10.069   5.176  -1.024
  240   HD21  LEU  29          3HD2      LEU  29   9.897   2.561  -0.500
  241   HD22  LEU  29          1HD2      LEU  29  10.189   3.016   1.178
  242   HD23  LEU  29          2HD2      LEU  29  11.243   1.845   0.387
  243    H    TRP  30           H        TRP  30  12.557   5.350  -4.414
  244    HA   TRP  30           HA       TRP  30  13.745   3.255  -6.106
  245    HB2  TRP  30           2HB      TRP  30  13.142   6.136  -6.832
  246    HB3  TRP  30           1HB      TRP  30  13.794   4.912  -7.911
  247    HD1  TRP  30           HD       TRP  30  10.627   6.403  -6.819
  248    HE1  TRP  30           1HE      TRP  30   8.622   5.093  -7.755
  249    HE3  TRP  30           3HE      TRP  30  13.088   2.242  -8.418
  250    HZ2  TRP  30           2HZ      TRP  30   8.152   2.603  -9.019
  251    HZ3  TRP  30           3HZ      TRP  30  11.792   0.440  -9.474
  252    HH2  TRP  30           HH       TRP  30   9.375   0.623  -9.765
  Start of MODEL   14
    1    H1   TYR   1           H        TYR   1 -10.781   8.127   0.054
    2    HA   TYR   1           HA       TYR   1 -10.639   6.952   2.497
    3    HB2  TYR   1           2HB      TYR   1 -12.027   5.572   0.188
    4    HB3  TYR   1           1HB      TYR   1 -12.475   5.534   1.887
    5    HD1  TYR   1           2HD      TYR   1 -13.186   7.833   2.930
    6    HD2  TYR   1           1HD      TYR   1 -13.056   7.042  -1.246
    7    HE1  TYR   1           2HE      TYR   1 -14.697   9.728   2.522
    8    HE2  TYR   1           1HE      TYR   1 -14.546   8.922  -1.663
    9    HH   TYR   1           HH       TYR   1 -16.254  10.205  -0.412
   10    H    CYS   2           H        CYS   2  -8.691   6.342   0.055
   11    HA   CYS   2           HA       CYS   2  -8.255   3.502   0.576
   12    HB2  CYS   2           2HB      CYS   2  -8.474   4.372  -1.824
   13    HB3  CYS   2           1HB      CYS   2  -6.933   5.176  -1.576
   14    H    GLN   3           H        GLN   3  -5.664   3.181   0.104
   15    HA   GLN   3           HA       GLN   3  -4.571   4.166   2.559
   16    HB2  GLN   3           2HB      GLN   3  -3.578   2.201   0.494
   17    HB3  GLN   3           1HB      GLN   3  -2.617   2.673   1.872
   18    HG2  GLN   3           2HG      GLN   3  -3.722   0.489   2.146
   19    HG3  GLN   3           1HG      GLN   3  -4.199   1.643   3.381
   20   HE21  GLN   3          1HE2      GLN   3  -6.280   2.335   3.465
   21   HE22  GLN   3          2HE2      GLN   3  -7.537   1.616   2.540
   22    H    LYS   4           H        LYS   4  -3.946   6.255   2.240
   23    HA   LYS   4           HA       LYS   4  -2.191   6.839  -0.033
   24    HB2  LYS   4           2HB      LYS   4  -3.659   8.638   1.881
   25    HB3  LYS   4           1HB      LYS   4  -2.550   9.223   0.632
   26    HG2  LYS   4           2HG      LYS   4  -4.008   8.107  -1.057
   27    HG3  LYS   4           1HG      LYS   4  -5.121   7.724   0.258
   28    HD2  LYS   4           2HD      LYS   4  -4.202  10.470  -0.371
   29    HD3  LYS   4           1HD      LYS   4  -5.651   9.783  -1.118
   30    HE2  LYS   4           2HE      LYS   4  -6.548   9.410   1.210
   31    HE3  LYS   4           1HE      LYS   4  -5.150  10.278   1.835
   32    HZ1  LYS   4           3HZ      LYS   4  -7.199  11.400   0.001
   33    HZ2  LYS   4           1HZ      LYS   4  -5.871  12.246   0.615
   34    HZ3  LYS   4           2HZ      LYS   4  -7.092  11.714   1.642
   35    H    TRP   5           H        TRP   5  -0.275   6.604   0.281
   36    HA   TRP   5           HA       TRP   5   1.701   6.063   1.228
   37    HB2  TRP   5           2HB      TRP   5   1.590   8.612   1.587
   38    HB3  TRP   5           1HB      TRP   5   1.177   8.253   3.260
   39    HD1  TRP   5           HD       TRP   5   3.757   5.973   1.623
   40    HE1  TRP   5           1HE      TRP   5   6.085   6.460   2.604
   41    HE3  TRP   5           3HE      TRP   5   2.653  10.183   4.284
   42    HZ2  TRP   5           2HZ      TRP   5   7.294   8.359   4.284
   43    HZ3  TRP   5           3HZ      TRP   5   4.468  11.277   5.560
   44    HH2  TRP   5           HH       TRP   5   6.730  10.375   5.552
   45    H    MET   6           H        MET   6   2.137   6.481   4.257
   46    HA   MET   6           HA       MET   6   1.818   3.801   4.875
   47    HB2  MET   6           2HB      MET   6   2.409   4.439   7.226
   48    HB3  MET   6           1HB      MET   6   3.530   4.990   5.991
   49    HG2  MET   6           2HG      MET   6   2.572   7.233   6.110
   50    HG3  MET   6           1HG      MET   6   1.414   6.682   7.316
   51    HE1  MET   6           3HE      MET   6   2.182   8.719   8.872
   52    HE2  MET   6           1HE      MET   6   3.357   9.216   7.655
   53    HE3  MET   6           2HE      MET   6   3.858   9.015   9.335
   54    H    TRP   7           H        TRP   7   0.010   2.865   4.856
   55    HA   TRP   7           HA       TRP   7  -1.988   3.328   6.964
   56    HB2  TRP   7           2HB      TRP   7  -2.609   3.077   3.998
   57    HB3  TRP   7           1HB      TRP   7  -3.783   2.654   5.223
   58    HD1  TRP   7           HD       TRP   7  -1.621   5.861   4.882
   59    HE1  TRP   7           1HE      TRP   7  -3.193   7.882   4.837
   60    HE3  TRP   7           3HE      TRP   7  -6.071   3.419   5.081
   61    HZ2  TRP   7           2HZ      TRP   7  -5.949   8.393   4.850
   62    HZ3  TRP   7           3HZ      TRP   7  -8.150   4.753   5.039
   63    HH2  TRP   7           HH       TRP   7  -8.060   7.210   4.917
   64    H    THR   8           H        THR   8  -3.575   1.162   6.728
   65    HA   THR   8           HA       THR   8  -1.645  -0.952   6.420
   66    HB   THR   8           HB       THR   8  -3.355  -2.221   7.832
   67    HG1  THR   8           1HG      THR   8  -4.281  -0.350   9.289
   68   HG21  THR   8          3HG2      THR   8  -1.827   0.087   9.048
   69   HG22  THR   8          1HG2      THR   8  -1.153  -1.490   8.637
   70   HG23  THR   8          2HG2      THR   8  -2.364  -1.360   9.906
   71    H    CYS   9           H        CYS   9  -2.059  -2.770   5.264
   72    HA   CYS   9           HA       CYS   9  -4.246  -2.578   3.326
   73    HB2  CYS   9           2HB      CYS   9  -2.665  -3.993   1.948
   74    HB3  CYS   9           1HB      CYS   9  -2.173  -2.325   2.241
   75    H    ASP  10           H        ASP  10  -4.585  -4.873   2.302
   76    HA   ASP  10           HA       ASP  10  -4.656  -6.977   4.337
   77    HB2  ASP  10           2HB      ASP  10  -6.899  -5.700   4.315
   78    HB3  ASP  10           1HB      ASP  10  -7.038  -6.172   2.629
   79    H    SER  11           H        SER  11  -5.867  -8.902   2.796
   80    HA   SER  11           HA       SER  11  -3.962  -9.419   0.743
   81    HB2  SER  11           2HB      SER  11  -6.547 -10.829   1.368
   82    HB3  SER  11           1HB      SER  11  -5.136 -11.498   0.552
   83    HG   SER  11           HG       SER  11  -5.447 -11.989   2.861
   84    H    GLU  12           H        GLU  12  -7.378  -8.554   0.986
   85    HA   GLU  12           HA       GLU  12  -7.616  -8.366  -1.913
   86    HB2  GLU  12           2HB      GLU  12  -9.622  -8.062   0.310
   87    HB3  GLU  12           1HB      GLU  12 -10.007  -7.630  -1.340
   88    HG2  GLU  12           2HG      GLU  12 -10.880  -9.826  -0.861
   89    HG3  GLU  12           1HG      GLU  12  -9.571  -9.962  -2.022
   90    H    ARG  13           H        ARG  13  -6.983  -6.388   0.748
   91    HA   ARG  13           HA       ARG  13  -7.776  -4.006  -0.717
   92    HB2  ARG  13           2HB      ARG  13  -8.471  -4.148   1.651
   93    HB3  ARG  13           1HB      ARG  13  -6.781  -4.234   2.121
   94    HG2  ARG  13           2HG      ARG  13  -7.613  -1.985   2.464
   95    HG3  ARG  13           1HG      ARG  13  -6.396  -2.050   1.179
   96    HD2  ARG  13           2HD      ARG  13  -8.304  -0.587   0.623
   97    HD3  ARG  13           1HD      ARG  13  -8.054  -1.900  -0.520
   98    HE   ARG  13           HE       ARG  13  -9.896  -2.804   1.323
   99   HH11  ARG  13          1HH1      ARG  13  -9.759  -0.206  -1.083
  100   HH12  ARG  13          2HH1      ARG  13 -11.450  -0.163  -1.303
  101   HH21  ARG  13          1HH2      ARG  13 -12.161  -2.754   0.978
  102   HH22  ARG  13          2HH2      ARG  13 -12.855  -1.655  -0.115
  103    H    LYS  14           H        LYS  14  -6.396  -3.278  -2.005
  104    HA   LYS  14           HA       LYS  14  -3.528  -3.664  -1.557
  105    HB2  LYS  14           2HB      LYS  14  -5.015  -3.019  -4.108
  106    HB3  LYS  14           1HB      LYS  14  -3.281  -3.267  -3.967
  107    HG2  LYS  14           2HG      LYS  14  -3.655  -5.575  -3.295
  108    HG3  LYS  14           1HG      LYS  14  -5.398  -5.336  -3.412
  109    HD2  LYS  14           2HD      LYS  14  -5.143  -4.806  -5.801
  110    HD3  LYS  14           1HD      LYS  14  -3.409  -5.096  -5.670
  111    HE2  LYS  14           2HE      LYS  14  -3.890  -7.417  -4.961
  112    HE3  LYS  14           1HE      LYS  14  -5.607  -7.104  -5.185
  113    HZ1  LYS  14           3HZ      LYS  14  -3.551  -6.954  -7.321
  114    HZ2  LYS  14           1HZ      LYS  14  -5.210  -6.707  -7.520
  115    HZ3  LYS  14           2HZ      LYS  14  -4.626  -8.226  -7.085
  116    H    CYS  15           H        CYS  15  -2.146  -1.938  -1.806
  117    HA   CYS  15           HA       CYS  15  -3.213   0.534  -0.879
  118    HB2  CYS  15           2HB      CYS  15  -0.380   0.020  -1.717
  119    HB3  CYS  15           1HB      CYS  15  -1.006   1.103  -0.469
  120    H    CYS  16           H        CYS  16  -3.885   2.111  -2.136
  121    HA   CYS  16           HA       CYS  16  -3.720   2.152  -4.952
  122    HB2  CYS  16           2HB      CYS  16  -4.501   4.331  -2.998
  123    HB3  CYS  16           1HB      CYS  16  -4.683   4.451  -4.742
  124    H    GLU  17           H        GLU  17  -2.899   4.118  -6.203
  125    HA   GLU  17           HA       GLU  17  -1.316   5.452  -6.969
  126    HB2  GLU  17           2HB      GLU  17  -1.624   6.644  -4.791
  127    HB3  GLU  17           1HB      GLU  17  -0.391   5.625  -4.079
  128    HG2  GLU  17           2HG      GLU  17   0.509   7.801  -4.568
  129    HG3  GLU  17           1HG      GLU  17   1.241   6.575  -5.611
  130    H    GLY  18           H        GLY  18  -1.025   2.524  -6.454
  131    HA2  GLY  18           2HA      GLY  18   0.467   0.874  -6.989
  132    HA3  GLY  18           1HA      GLY  18   1.507   2.137  -7.639
  133    H    MET  19           H        MET  19   0.344   1.680  -4.343
  134    HA   MET  19           HA       MET  19   3.128   1.804  -3.505
  135    HB2  MET  19           2HB      MET  19   0.590   2.165  -1.901
  136    HB3  MET  19           1HB      MET  19   2.205   2.215  -1.208
  137    HG2  MET  19           2HG      MET  19   2.739   4.121  -2.702
  138    HG3  MET  19           1HG      MET  19   1.079   4.089  -3.281
  139    HE1  MET  19           3HE      MET  19   2.422   6.720  -2.194
  140    HE2  MET  19           1HE      MET  19   1.189   7.343  -1.097
  141    HE3  MET  19           2HE      MET  19   0.724   6.672  -2.653
  142    H    VAL  20           H        VAL  20   3.748   0.443  -1.612
  143    HA   VAL  20           HA       VAL  20   2.968  -2.264  -2.377
  144    HB   VAL  20           HB       VAL  20   5.453  -1.345  -0.909
  145   HG11  VAL  20          1HG1      VAL  20   4.865  -3.641  -0.361
  146   HG12  VAL  20          2HG1      VAL  20   6.306  -3.606  -1.380
  147   HG13  VAL  20          3HG1      VAL  20   4.744  -4.034  -2.075
  148   HG21  VAL  20          3HG2      VAL  20   5.441  -0.529  -3.203
  149   HG22  VAL  20          1HG2      VAL  20   5.092  -2.152  -3.796
  150   HG23  VAL  20          2HG2      VAL  20   6.635  -1.814  -3.018
  151    H    CYS  21           H        CYS  21   2.057  -3.608  -1.021
  152    HA   CYS  21           HA       CYS  21   1.206  -2.747   1.572
  153    HB2  CYS  21           2HB      CYS  21  -0.308  -4.063   0.192
  154    HB3  CYS  21           1HB      CYS  21   0.881  -5.349   0.060
  155    H    ARG  22           H        ARG  22   1.979  -3.443   3.497
  156    HA   ARG  22           HA       ARG  22   3.764  -5.582   3.947
  157    HB2  ARG  22           2HB      ARG  22   5.056  -3.543   2.734
  158    HB3  ARG  22           1HB      ARG  22   5.037  -2.899   4.363
  159    HG2  ARG  22           2HG      ARG  22   7.132  -4.019   3.932
  160    HG3  ARG  22           1HG      ARG  22   6.228  -4.916   5.152
  161    HD2  ARG  22           2HD      ARG  22   6.039  -5.632   2.249
  162    HD3  ARG  22           1HD      ARG  22   7.384  -6.229   3.219
  163    HE   ARG  22           HE       ARG  22   5.509  -7.154   4.691
  164   HH11  ARG  22          1HH1      ARG  22   5.096  -6.811   1.190
  165   HH12  ARG  22          2HH1      ARG  22   4.183  -8.242   1.025
  166   HH21  ARG  22          1HH2      ARG  22   4.290  -9.129   4.439
  167   HH22  ARG  22          2HH2      ARG  22   3.727  -9.596   2.902
  168    H    LEU  23           H        LEU  23   4.931  -4.068   6.225
  169    HA   LEU  23           HA       LEU  23   2.958  -4.251   8.165
  170    HB2  LEU  23           2HB      LEU  23   4.340  -2.854   9.645
  171    HB3  LEU  23           1HB      LEU  23   5.315  -4.036   8.824
  172    HG   LEU  23           HG       LEU  23   5.194  -1.120   8.010
  173   HD11  LEU  23          1HD1      LEU  23   7.329  -0.883   9.169
  174   HD12  LEU  23          2HD1      LEU  23   7.212  -2.548   9.735
  175   HD13  LEU  23          3HD1      LEU  23   6.049  -1.344  10.290
  176   HD21  LEU  23          3HD2      LEU  23   7.319  -1.622   6.876
  177   HD22  LEU  23          1HD2      LEU  23   5.999  -2.603   6.240
  178   HD23  LEU  23          2HD2      LEU  23   7.169  -3.313   7.352
  179    H    TRP  24           H        TRP  24   3.806  -1.559   6.152
  180    HA   TRP  24           HA       TRP  24   1.161  -0.486   6.445
  181    HB2  TRP  24           2HB      TRP  24   3.691   0.991   7.093
  182    HB3  TRP  24           1HB      TRP  24   2.426   1.881   6.278
  183    HD1  TRP  24           HD       TRP  24   0.059   2.081   7.667
  184    HE1  TRP  24           1HE      TRP  24  -0.330   2.253  10.209
  185    HE3  TRP  24           3HE      TRP  24   4.505   0.282   9.246
  186    HZ2  TRP  24           2HZ      TRP  24   1.085   1.691  12.571
  187    HZ3  TRP  24           3HZ      TRP  24   4.944   0.127  11.676
  188    HH2  TRP  24           HH       TRP  24   3.251   0.825  13.297
  189    H    CYS  25           H        CYS  25   0.504   0.434   4.560
  190    HA   CYS  25           HA       CYS  25   1.841  -0.184   2.127
  191    HB2  CYS  25           2HB      CYS  25  -0.310   1.858   2.737
  192    HB3  CYS  25           1HB      CYS  25   0.222   1.404   1.125
  193    H    LYS  26           H        LYS  26   3.554   0.840   1.412
  194    HA   LYS  26           HA       LYS  26   3.740   3.680   1.896
  195    HB2  LYS  26           2HB      LYS  26   5.987   1.726   2.461
  196    HB3  LYS  26           1HB      LYS  26   6.225   3.463   2.292
  197    HG2  LYS  26           2HG      LYS  26   4.735   3.867   4.172
  198    HG3  LYS  26           1HG      LYS  26   4.456   2.144   4.348
  199    HD2  LYS  26           2HD      LYS  26   6.061   2.862   6.005
  200    HD3  LYS  26           1HD      LYS  26   6.901   1.881   4.807
  201    HE2  LYS  26           2HE      LYS  26   7.763   3.857   3.726
  202    HE3  LYS  26           1HE      LYS  26   6.820   4.897   4.789
  203    HZ1  LYS  26           3HZ      LYS  26   9.131   4.751   5.454
  204    HZ2  LYS  26           1HZ      LYS  26   9.013   3.087   5.646
  205    HZ3  LYS  26           2HZ      LYS  26   8.132   4.120   6.653
  206    H    LYS  27           H        LYS  27   5.486   4.612   0.466
  207    HA   LYS  27           HA       LYS  27   4.803   3.502  -2.111
  208    HB2  LYS  27           2HB      LYS  27   5.390   5.726  -3.008
  209    HB3  LYS  27           1HB      LYS  27   4.099   5.755  -1.819
  210    HG2  LYS  27           2HG      LYS  27   5.709   6.519  -0.122
  211    HG3  LYS  27           1HG      LYS  27   6.965   6.548  -1.362
  212    HD2  LYS  27           2HD      LYS  27   5.699   8.197  -2.627
  213    HD3  LYS  27           1HD      LYS  27   4.402   8.131  -1.432
  214    HE2  LYS  27           2HE      LYS  27   5.993   8.927   0.284
  215    HE3  LYS  27           1HE      LYS  27   7.230   9.055  -0.966
  216    HZ1  LYS  27           3HZ      LYS  27   4.670  10.530  -0.946
  217    HZ2  LYS  27           1HZ      LYS  27   5.892  10.698  -2.091
  218    HZ3  LYS  27           2HZ      LYS  27   6.164  11.170  -0.498
  219    H    LYS  28           H        LYS  28   6.220   3.079  -3.619
  220    HA   LYS  28           HA       LYS  28   8.987   2.792  -2.782
  221    HB2  LYS  28           2HB      LYS  28   7.678   0.932  -3.823
  222    HB3  LYS  28           1HB      LYS  28   7.620   1.940  -5.276
  223    HG2  LYS  28           2HG      LYS  28  10.061   1.820  -5.453
  224    HG3  LYS  28           1HG      LYS  28  10.108   0.795  -4.014
  225    HD2  LYS  28           2HD      LYS  28   8.683  -0.850  -5.161
  226    HD3  LYS  28           1HD      LYS  28   8.714   0.153  -6.607
  227    HE2  LYS  28           2HE      LYS  28  11.137  -0.120  -6.748
  228    HE3  LYS  28           1HE      LYS  28  11.113  -1.116  -5.290
  229    HZ1  LYS  28           3HZ      LYS  28   9.806  -1.740  -7.877
  230    HZ2  LYS  28           1HZ      LYS  28   9.661  -2.677  -6.470
  231    HZ3  LYS  28           2HZ      LYS  28  11.162  -2.493  -7.234
  232    H    LEU  29           H        LEU  29   9.363   4.835  -2.845
  233    HA   LEU  29           HA       LEU  29   8.957   6.498  -5.203
  234    HB2  LEU  29           2HB      LEU  29   8.652   7.466  -2.957
  235    HB3  LEU  29           1HB      LEU  29  10.325   7.127  -2.579
  236    HG   LEU  29           HG       LEU  29  10.997   8.720  -4.379
  237   HD11  LEU  29          1HD1      LEU  29   9.336  10.300  -5.223
  238   HD12  LEU  29          2HD1      LEU  29   8.058   9.376  -4.433
  239   HD13  LEU  29          3HD1      LEU  29   8.993   8.650  -5.740
  240   HD21  LEU  29          3HD2      LEU  29  10.464  10.733  -3.087
  241   HD22  LEU  29          1HD2      LEU  29  10.957   9.400  -2.044
  242   HD23  LEU  29          2HD2      LEU  29   9.252   9.827  -2.183
  243    H    TRP  30           H        TRP  30  11.697   5.670  -3.165
  244    HA   TRP  30           HA       TRP  30  13.912   5.472  -3.511
  245    HB2  TRP  30           2HB      TRP  30  13.067   3.386  -4.588
  246    HB3  TRP  30           1HB      TRP  30  13.070   4.227  -6.132
  247    HD1  TRP  30           HD       TRP  30  15.232   4.078  -7.475
  248    HE1  TRP  30           1HE      TRP  30  17.656   3.314  -6.987
  249    HE3  TRP  30           3HE      TRP  30  14.827   3.332  -2.453
  250    HZ2  TRP  30           2HZ      TRP  30  19.165   2.492  -4.741
  251    HZ3  TRP  30           3HZ      TRP  30  16.793   2.561  -1.204
  252    HH2  TRP  30           HH       TRP  30  18.912   2.149  -2.325
  Start of MODEL   15
    1    H1   TYR   1           H        TYR   1 -10.204   3.824   2.450
    2    HA   TYR   1           HA       TYR   1 -11.702   3.423   0.532
    3    HB2  TYR   1           2HB      TYR   1 -10.637   6.153  -0.224
    4    HB3  TYR   1           1HB      TYR   1 -11.656   5.125  -1.212
    5    HD1  TYR   1           1HD      TYR   1 -14.064   4.746  -0.462
    6    HD2  TYR   1           2HD      TYR   1 -11.528   7.673   1.295
    7    HE1  TYR   1           1HE      TYR   1 -16.034   5.941   0.386
    8    HE2  TYR   1           2HE      TYR   1 -13.466   8.860   2.156
    9    HH   TYR   1           HH       TYR   1 -15.858   9.099   1.544
   10    H    CYS   2           H        CYS   2  -8.837   5.422   0.511
   11    HA   CYS   2           HA       CYS   2  -7.354   3.280  -0.731
   12    HB2  CYS   2           2HB      CYS   2  -7.589   6.093  -1.661
   13    HB3  CYS   2           1HB      CYS   2  -6.085   5.226  -1.925
   14    H    GLN   3           H        GLN   3  -5.311   3.160  -0.285
   15    HA   GLN   3           HA       GLN   3  -4.662   4.064   2.293
   16    HB2  GLN   3           2HB      GLN   3  -3.523   2.035   0.405
   17    HB3  GLN   3           1HB      GLN   3  -2.568   2.564   1.782
   18    HG2  GLN   3           2HG      GLN   3  -3.814   0.510   2.219
   19    HG3  GLN   3           1HG      GLN   3  -4.230   1.804   3.325
   20   HE21  GLN   3          1HE2      GLN   3  -6.128   1.293   3.849
   21   HE22  GLN   3          2HE2      GLN   3  -7.475   1.243   2.756
   22    H    LYS   4           H        LYS   4  -3.764   6.136   2.290
   23    HA   LYS   4           HA       LYS   4  -1.903   6.852   0.135
   24    HB2  LYS   4           2HB      LYS   4  -3.293   8.536   2.178
   25    HB3  LYS   4           1HB      LYS   4  -2.171   9.152   0.963
   26    HG2  LYS   4           2HG      LYS   4  -3.747   8.230  -0.762
   27    HG3  LYS   4           1HG      LYS   4  -4.883   7.937   0.559
   28    HD2  LYS   4           2HD      LYS   4  -3.612  10.540  -0.106
   29    HD3  LYS   4           1HD      LYS   4  -5.255  10.098  -0.587
   30    HE2  LYS   4           2HE      LYS   4  -5.857   9.895   1.808
   31    HE3  LYS   4           1HE      LYS   4  -4.220  10.374   2.249
   32    HZ1  LYS   4           3HZ      LYS   4  -5.810  12.196   2.377
   33    HZ2  LYS   4           1HZ      LYS   4  -6.124  12.063   0.730
   34    HZ3  LYS   4           2HZ      LYS   4  -4.588  12.527   1.263
   35    H    TRP   5           H        TRP   5   0.060   6.513   0.552
   36    HA   TRP   5           HA       TRP   5   2.018   6.012   1.609
   37    HB2  TRP   5           2HB      TRP   5   1.570   8.580   2.193
   38    HB3  TRP   5           1HB      TRP   5   1.349   7.954   3.819
   39    HD1  TRP   5           HD       TRP   5   3.813   5.720   3.503
   40    HE1  TRP   5           1HE      TRP   5   6.216   6.578   3.707
   41    HE3  TRP   5           3HE      TRP   5   2.983  10.678   2.552
   42    HZ2  TRP   5           2HZ      TRP   5   7.600   9.039   3.484
   43    HZ3  TRP   5           3HZ      TRP   5   4.904  12.216   2.572
   44    HH2  TRP   5           HH       TRP   5   7.164  11.408   3.028
   45    H    MET   6           H        MET   6   2.134   6.302   4.686
   46    HA   MET   6           HA       MET   6   1.659   3.540   5.113
   47    HB2  MET   6           2HB      MET   6   2.282   3.904   7.474
   48    HB3  MET   6           1HB      MET   6   3.450   4.510   6.316
   49    HG2  MET   6           2HG      MET   6   2.642   6.783   6.697
   50    HG3  MET   6           1HG      MET   6   1.461   6.163   7.849
   51    HE1  MET   6           3HE      MET   6   5.163   4.806   7.431
   52    HE2  MET   6           1HE      MET   6   6.030   5.891   8.512
   53    HE3  MET   6           2HE      MET   6   5.291   6.520   7.036
   54    H    TRP   7           H        TRP   7  -0.064   2.680   4.991
   55    HA   TRP   7           HA       TRP   7  -2.130   3.123   7.027
   56    HB2  TRP   7           2HB      TRP   7  -2.627   2.903   4.035
   57    HB3  TRP   7           1HB      TRP   7  -3.855   2.509   5.220
   58    HD1  TRP   7           HD       TRP   7  -1.631   5.670   5.008
   59    HE1  TRP   7           1HE      TRP   7  -3.183   7.744   4.871
   60    HE3  TRP   7           3HE      TRP   7  -6.124   3.306   4.873
   61    HZ2  TRP   7           2HZ      TRP   7  -5.914   8.283   4.706
   62    HZ3  TRP   7           3HZ      TRP   7  -8.165   4.663   4.708
   63    HH2  TRP   7           HH       TRP   7  -8.046   7.118   4.626
   64    H    THR   8           H        THR   8  -3.448   1.022   7.229
   65    HA   THR   8           HA       THR   8  -1.635  -1.128   6.804
   66    HB   THR   8           HB       THR   8  -3.517  -2.439   7.917
   67    HG1  THR   8           1HG      THR   8  -5.288  -1.118   7.578
   68   HG21  THR   8          3HG2      THR   8  -3.014  -1.475  10.133
   69   HG22  THR   8          1HG2      THR   8  -2.336  -0.054   9.343
   70   HG23  THR   8          2HG2      THR   8  -1.565  -1.627   9.140
   71    H    CYS   9           H        CYS   9  -1.835  -2.808   5.368
   72    HA   CYS   9           HA       CYS   9  -3.966  -2.498   3.398
   73    HB2  CYS   9           2HB      CYS   9  -2.431  -3.761   1.843
   74    HB3  CYS   9           1HB      CYS   9  -1.890  -2.151   2.285
   75    H    ASP  10           H        ASP  10  -4.774  -4.477   2.459
   76    HA   ASP  10           HA       ASP  10  -4.679  -6.693   4.390
   77    HB2  ASP  10           2HB      ASP  10  -7.064  -5.777   2.747
   78    HB3  ASP  10           1HB      ASP  10  -6.997  -7.207   3.758
   79    H    SER  11           H        SER  11  -5.929  -8.607   3.053
   80    HA   SER  11           HA       SER  11  -4.147  -9.345   1.021
   81    HB2  SER  11           2HB      SER  11  -5.921 -11.218   0.859
   82    HB3  SER  11           1HB      SER  11  -5.011 -11.051   2.366
   83    HG   SER  11           HG       SER  11  -7.430 -11.217   2.425
   84    H    GLU  12           H        GLU  12  -7.529  -8.244   1.061
   85    HA   GLU  12           HA       GLU  12  -7.524  -8.195  -1.857
   86    HB2  GLU  12           2HB      GLU  12  -9.767  -7.544   0.049
   87    HB3  GLU  12           1HB      GLU  12  -9.896  -7.697  -1.695
   88    HG2  GLU  12           2HG      GLU  12  -9.245 -10.055  -1.506
   89    HG3  GLU  12           1HG      GLU  12  -9.217  -9.879   0.248
   90    H    ARG  13           H        ARG  13  -7.123  -6.089   0.799
   91    HA   ARG  13           HA       ARG  13  -7.845  -3.768  -0.753
   92    HB2  ARG  13           2HB      ARG  13  -8.365  -3.790   1.659
   93    HB3  ARG  13           1HB      ARG  13  -6.648  -3.886   2.012
   94    HG2  ARG  13           2HG      ARG  13  -7.539  -1.598   2.296
   95    HG3  ARG  13           1HG      ARG  13  -6.273  -1.722   1.067
   96    HD2  ARG  13           2HD      ARG  13  -8.289  -0.285   0.481
   97    HD3  ARG  13           1HD      ARG  13  -7.787  -1.487  -0.704
   98    HE   ARG  13           HE       ARG  13  -9.613  -2.887   0.480
   99   HH11  ARG  13          1HH1      ARG  13  -9.887   0.621  -0.144
  100   HH12  ARG  13          2HH1      ARG  13 -11.553   0.529  -0.396
  101   HH21  ARG  13          1HH2      ARG  13 -11.844  -2.957   0.117
  102   HH22  ARG  13          2HH2      ARG  13 -12.706  -1.535  -0.247
  103    H    LYS  14           H        LYS  14  -6.580  -2.926  -2.100
  104    HA   LYS  14           HA       LYS  14  -3.728  -3.516  -2.020
  105    HB2  LYS  14           2HB      LYS  14  -5.283  -2.136  -4.209
  106    HB3  LYS  14           1HB      LYS  14  -3.682  -2.843  -4.323
  107    HG2  LYS  14           2HG      LYS  14  -6.307  -4.300  -4.049
  108    HG3  LYS  14           1HG      LYS  14  -5.246  -4.262  -5.453
  109    HD2  LYS  14           2HD      LYS  14  -4.574  -5.480  -2.770
  110    HD3  LYS  14           1HD      LYS  14  -5.103  -6.364  -4.195
  111    HE2  LYS  14           2HE      LYS  14  -3.114  -5.632  -5.402
  112    HE3  LYS  14           1HE      LYS  14  -2.587  -4.711  -3.993
  113    HZ1  LYS  14           3HZ      LYS  14  -2.985  -7.648  -4.046
  114    HZ2  LYS  14           1HZ      LYS  14  -2.411  -6.749  -2.747
  115    HZ3  LYS  14           2HZ      LYS  14  -1.487  -6.872  -4.148
  116    H    CYS  15           H        CYS  15  -2.236  -1.783  -2.281
  117    HA   CYS  15           HA       CYS  15  -3.190   0.585  -0.959
  118    HB2  CYS  15           2HB      CYS  15  -0.368   0.002  -1.855
  119    HB3  CYS  15           1HB      CYS  15  -0.971   1.142  -0.642
  120    H    CYS  16           H        CYS  16  -4.029   1.989  -2.169
  121    HA   CYS  16           HA       CYS  16  -4.049   2.067  -4.952
  122    HB2  CYS  16           2HB      CYS  16  -4.731   4.240  -2.998
  123    HB3  CYS  16           1HB      CYS  16  -5.073   4.327  -4.719
  124    H    GLU  17           H        GLU  17  -3.305   3.574  -6.463
  125    HA   GLU  17           HA       GLU  17  -1.866   4.830  -7.572
  126    HB2  GLU  17           2HB      GLU  17  -2.112   6.373  -5.527
  127    HB3  GLU  17           1HB      GLU  17  -0.607   5.684  -4.952
  128    HG2  GLU  17           2HG      GLU  17  -0.209   7.814  -6.024
  129    HG3  GLU  17           1HG      GLU  17   0.523   6.492  -6.948
  130    H    GLY  18           H        GLY  18  -1.316   2.114  -6.213
  131    HA2  GLY  18           2HA      GLY  18   0.222   0.472  -6.662
  132    HA3  GLY  18           1HA      GLY  18   1.162   1.658  -7.561
  133    H    MET  19           H        MET  19   0.159   1.430  -4.163
  134    HA   MET  19           HA       MET  19   2.935   2.012  -3.482
  135    HB2  MET  19           2HB      MET  19   0.446   2.126  -1.770
  136    HB3  MET  19           1HB      MET  19   2.058   2.454  -1.149
  137    HG2  MET  19           2HG      MET  19   2.221   4.297  -2.861
  138    HG3  MET  19           1HG      MET  19   0.536   3.991  -3.250
  139    HE1  MET  19           3HE      MET  19   0.317   7.396  -1.388
  140    HE2  MET  19           1HE      MET  19  -0.144   6.486  -2.826
  141    HE3  MET  19           2HE      MET  19   1.553   6.853  -2.523
  142    H    VAL  20           H        VAL  20   3.804   0.869  -1.517
  143    HA   VAL  20           HA       VAL  20   3.682  -1.948  -2.232
  144    HB   VAL  20           HB       VAL  20   5.492  -0.669  -0.185
  145   HG11  VAL  20          1HG1      VAL  20   7.014  -2.503  -0.730
  146   HG12  VAL  20          2HG1      VAL  20   5.841  -3.126  -1.884
  147   HG13  VAL  20          3HG1      VAL  20   5.449  -3.095  -0.167
  148   HG21  VAL  20          3HG2      VAL  20   5.959  -0.850  -3.162
  149   HG22  VAL  20          1HG2      VAL  20   7.179  -0.391  -1.972
  150   HG23  VAL  20          2HG2      VAL  20   5.759   0.622  -2.215
  151    H    CYS  21           H        CYS  21   2.816  -3.508  -0.964
  152    HA   CYS  21           HA       CYS  21   1.480  -2.744   1.512
  153    HB2  CYS  21           2HB      CYS  21   0.373  -4.181  -0.309
  154    HB3  CYS  21           1HB      CYS  21   1.664  -5.320   0.145
  155    H    ARG  22           H        ARG  22   2.525  -2.999   3.284
  156    HA   ARG  22           HA       ARG  22   4.432  -5.158   3.761
  157    HB2  ARG  22           2HB      ARG  22   4.607  -2.252   3.887
  158    HB3  ARG  22           1HB      ARG  22   5.710  -3.145   4.962
  159    HG2  ARG  22           2HG      ARG  22   5.524  -2.994   1.977
  160    HG3  ARG  22           1HG      ARG  22   6.843  -2.345   2.961
  161    HD2  ARG  22           2HD      ARG  22   7.370  -4.692   3.632
  162    HD3  ARG  22           1HD      ARG  22   6.139  -5.240   2.489
  163    HE   ARG  22           HE       ARG  22   8.083  -3.532   1.321
  164   HH11  ARG  22          1HH1      ARG  22   7.366  -6.889   2.183
  165   HH12  ARG  22          2HH1      ARG  22   8.528  -7.564   1.149
  166   HH21  ARG  22          1HH2      ARG  22   9.675  -4.480  -0.153
  167   HH22  ARG  22          2HH2      ARG  22   9.849  -6.172  -0.214
  168    H    LEU  23           H        LEU  23   4.969  -3.766   6.295
  169    HA   LEU  23           HA       LEU  23   2.791  -4.493   7.960
  170    HB2  LEU  23           2HB      LEU  23   4.877  -2.346   8.515
  171    HB3  LEU  23           1HB      LEU  23   3.785  -2.996   9.706
  172    HG   LEU  23           HG       LEU  23   5.858  -3.942  10.162
  173   HD11  LEU  23          1HD1      LEU  23   4.339  -6.008   8.632
  174   HD12  LEU  23          2HD1      LEU  23   4.111  -5.550  10.319
  175   HD13  LEU  23          3HD1      LEU  23   5.612  -6.326   9.810
  176   HD21  LEU  23          3HD2      LEU  23   7.041  -3.404   8.110
  177   HD22  LEU  23          1HD2      LEU  23   6.160  -4.667   7.252
  178   HD23  LEU  23          2HD2      LEU  23   7.289  -5.097   8.537
  179    H    TRP  24           H        TRP  24   3.597  -1.673   6.186
  180    HA   TRP  24           HA       TRP  24   0.902  -0.629   6.415
  181    HB2  TRP  24           2HB      TRP  24   3.474   0.900   6.837
  182    HB3  TRP  24           1HB      TRP  24   2.022   1.705   6.294
  183    HD1  TRP  24           HD       TRP  24   0.007   1.833   8.057
  184    HE1  TRP  24           1HE      TRP  24   0.049   1.828  10.672
  185    HE3  TRP  24           3HE      TRP  24   4.655   0.033   8.742
  186    HZ2  TRP  24           2HZ      TRP  24   1.868   1.148  12.713
  187    HZ3  TRP  24           3HZ      TRP  24   5.525  -0.274  11.049
  188    HH2  TRP  24           HH       TRP  24   4.143   0.281  12.985
  189    H    CYS  25           H        CYS  25   0.311   0.368   4.482
  190    HA   CYS  25           HA       CYS  25   1.745  -0.145   2.070
  191    HB2  CYS  25           2HB      CYS  25  -0.356   1.946   2.695
  192    HB3  CYS  25           1HB      CYS  25   0.212   1.518   1.087
  193    H    LYS  26           H        LYS  26   3.302   0.997   1.241
  194    HA   LYS  26           HA       LYS  26   3.892   3.630   2.392
  195    HB2  LYS  26           2HB      LYS  26   5.887   1.440   1.759
  196    HB3  LYS  26           1HB      LYS  26   6.283   3.064   2.299
  197    HG2  LYS  26           2HG      LYS  26   5.301   2.660   4.454
  198    HG3  LYS  26           1HG      LYS  26   4.663   1.107   3.921
  199    HD2  LYS  26           2HD      LYS  26   6.636   0.770   5.283
  200    HD3  LYS  26           1HD      LYS  26   6.966   0.292   3.620
  201    HE2  LYS  26           2HE      LYS  26   8.071   2.461   3.242
  202    HE3  LYS  26           1HE      LYS  26   7.757   2.889   4.924
  203    HZ1  LYS  26           3HZ      LYS  26   9.097   0.978   5.592
  204    HZ2  LYS  26           1HZ      LYS  26   9.991   2.047   4.639
  205    HZ3  LYS  26           2HZ      LYS  26   9.395   0.616   3.986
  206    H    LYS  27           H        LYS  27   4.546   5.098   0.836
  207    HA   LYS  27           HA       LYS  27   4.068   4.237  -1.834
  208    HB2  LYS  27           2HB      LYS  27   4.460   6.544  -2.519
  209    HB3  LYS  27           1HB      LYS  27   3.357   6.475  -1.163
  210    HG2  LYS  27           2HG      LYS  27   5.086   7.224   0.331
  211    HG3  LYS  27           1HG      LYS  27   6.278   7.168  -0.978
  212    HD2  LYS  27           2HD      LYS  27   4.970   8.814  -2.231
  213    HD3  LYS  27           1HD      LYS  27   3.802   8.879  -0.916
  214    HE2  LYS  27           2HE      LYS  27   5.527   9.728   0.577
  215    HE3  LYS  27           1HE      LYS  27   6.712   9.624  -0.725
  216    HZ1  LYS  27           3HZ      LYS  27   5.886  11.864  -0.500
  217    HZ2  LYS  27           1HZ      LYS  27   4.292  11.360  -0.735
  218    HZ3  LYS  27           2HZ      LYS  27   5.411  11.227  -1.974
  219    H    LYS  28           H        LYS  28   5.737   5.035  -3.543
  220    HA   LYS  28           HA       LYS  28   7.979   3.377  -2.921
  221    HB2  LYS  28           2HB      LYS  28   7.232   4.746  -5.502
  222    HB3  LYS  28           1HB      LYS  28   8.472   3.507  -5.307
  223    HG2  LYS  28           2HG      LYS  28   6.792   1.885  -4.608
  224    HG3  LYS  28           1HG      LYS  28   5.536   3.108  -4.728
  225    HD2  LYS  28           2HD      LYS  28   5.448   1.677  -6.662
  226    HD3  LYS  28           1HD      LYS  28   6.001   3.273  -7.157
  227    HE2  LYS  28           2HE      LYS  28   8.289   2.497  -7.223
  228    HE3  LYS  28           1HE      LYS  28   7.798   0.928  -6.595
  229    HZ1  LYS  28           3HZ      LYS  28   8.130   0.910  -8.998
  230    HZ2  LYS  28           1HZ      LYS  28   6.942   2.072  -9.199
  231    HZ3  LYS  28           2HZ      LYS  28   6.535   0.548  -8.618
  232    H    LEU  29           H        LEU  29   9.202   4.393  -1.609
  233    HA   LEU  29           HA       LEU  29  10.187   7.077  -2.080
  234    HB2  LEU  29           2HB      LEU  29  10.848   5.059   0.071
  235    HB3  LEU  29           1HB      LEU  29  11.406   6.716   0.042
  236    HG   LEU  29           HG       LEU  29   8.517   5.863   0.304
  237   HD11  LEU  29          1HD1      LEU  29   8.713   6.638   2.610
  238   HD12  LEU  29          2HD1      LEU  29  10.430   6.952   2.361
  239   HD13  LEU  29          3HD1      LEU  29   9.816   5.300   2.285
  240   HD21  LEU  29          3HD2      LEU  29   8.116   8.224   0.844
  241   HD22  LEU  29          1HD2      LEU  29   8.745   8.034  -0.792
  242   HD23  LEU  29          2HD2      LEU  29   9.807   8.587   0.502
  243    H    TRP  30           H        TRP  30  12.292   7.540  -2.642
  244    HA   TRP  30           HA       TRP  30  13.865   5.236  -3.578
  245    HB2  TRP  30           2HB      TRP  30  13.641   7.940  -4.918
  246    HB3  TRP  30           1HB      TRP  30  14.603   6.586  -5.491
  247    HD1  TRP  30           HD       TRP  30  11.339   8.164  -5.964
  248    HE1  TRP  30           1HE      TRP  30   9.728   6.632  -7.262
  249    HE3  TRP  30           3HE      TRP  30  13.925   3.767  -5.607
  250    HZ2  TRP  30           2HZ      TRP  30   9.575   3.933  -8.032
  251    HZ3  TRP  30           3HZ      TRP  30  12.971   1.752  -6.649
  252    HH2  TRP  30           HH       TRP  30  10.843   1.834  -7.832
  Start of MODEL   16
    1    H1   TYR   1           H        TYR   1 -11.263   4.484   0.147
    2    HA   TYR   1           HA       TYR   1 -10.579   3.301   2.738
    3    HB2  TYR   1           2HB      TYR   1 -11.742   1.961   0.287
    4    HB3  TYR   1           1HB      TYR   1 -11.225   1.123   1.742
    5    HD1  TYR   1           2HD      TYR   1 -12.472   1.498   3.878
    6    HD2  TYR   1           1HD      TYR   1 -13.872   3.005   0.159
    7    HE1  TYR   1           2HE      TYR   1 -14.714   1.779   4.844
    8    HE2  TYR   1           1HE      TYR   1 -16.112   3.299   1.111
    9    HH   TYR   1           HH       TYR   1 -17.432   2.317   2.955
   10    H    CYS   2           H        CYS   2  -9.312   4.535   0.054
   11    HA   CYS   2           HA       CYS   2  -7.300   2.603  -0.494
   12    HB2  CYS   2           2HB      CYS   2  -7.695   5.448  -1.325
   13    HB3  CYS   2           1HB      CYS   2  -6.121   4.699  -1.531
   14    H    GLN   3           H        GLN   3  -5.122   2.840  -0.122
   15    HA   GLN   3           HA       GLN   3  -4.552   3.635   2.584
   16    HB2  GLN   3           2HB      GLN   3  -3.141   2.138   0.417
   17    HB3  GLN   3           1HB      GLN   3  -2.247   2.628   1.823
   18    HG2  GLN   3           2HG      GLN   3  -2.987   0.289   1.934
   19    HG3  GLN   3           1HG      GLN   3  -3.702   1.239   3.227
   20   HE21  GLN   3          1HE2      GLN   3  -5.858   1.517   3.285
   21   HE22  GLN   3          2HE2      GLN   3  -6.973   0.730   2.243
   22    H    LYS   4           H        LYS   4  -4.429   5.819   2.605
   23    HA   LYS   4           HA       LYS   4  -2.894   7.171   0.545
   24    HB2  LYS   4           2HB      LYS   4  -4.484   8.150   2.878
   25    HB3  LYS   4           1HB      LYS   4  -3.612   9.224   1.799
   26    HG2  LYS   4           2HG      LYS   4  -4.949   8.381  -0.087
   27    HG3  LYS   4           1HG      LYS   4  -5.838   7.353   1.037
   28    HD2  LYS   4           2HD      LYS   4  -5.611  10.308   1.285
   29    HD3  LYS   4           1HD      LYS   4  -6.962   9.514   0.454
   30    HE2  LYS   4           2HE      LYS   4  -7.473   8.296   2.551
   31    HE3  LYS   4           1HE      LYS   4  -6.165   9.154   3.356
   32    HZ1  LYS   4           3HZ      LYS   4  -8.334  10.092   3.791
   33    HZ2  LYS   4           1HZ      LYS   4  -8.553  10.445   2.167
   34    HZ3  LYS   4           2HZ      LYS   4  -7.334  11.208   3.068
   35    H    TRP   5           H        TRP   5  -0.956   7.354   0.700
   36    HA   TRP   5           HA       TRP   5   1.179   6.956   1.415
   37    HB2  TRP   5           2HB      TRP   5   0.711   9.323   2.217
   38    HB3  TRP   5           1HB      TRP   5   0.342   8.651   3.798
   39    HD1  TRP   5           HD       TRP   5   3.332   7.248   1.824
   40    HE1  TRP   5           1HE      TRP   5   5.494   7.910   3.007
   41    HE3  TRP   5           3HE      TRP   5   1.374  10.400   5.325
   42    HZ2  TRP   5           2HZ      TRP   5   6.281   9.548   5.189
   43    HZ3  TRP   5           3HZ      TRP   5   2.905  11.471   6.937
   44    HH2  TRP   5           HH       TRP   5   5.305  11.046   6.860
   45    H    MET   6           H        MET   6   1.843   6.825   4.418
   46    HA   MET   6           HA       MET   6   1.846   4.055   4.468
   47    HB2  MET   6           2HB      MET   6   2.725   4.218   6.811
   48    HB3  MET   6           1HB      MET   6   3.613   5.141   5.611
   49    HG2  MET   6           2HG      MET   6   2.604   7.190   6.418
   50    HG3  MET   6           1HG      MET   6   1.596   6.274   7.535
   51    HE1  MET   6           3HE      MET   6   6.205   6.559   7.911
   52    HE2  MET   6           1HE      MET   6   5.283   7.327   6.620
   53    HE3  MET   6           2HE      MET   6   5.411   5.567   6.691
   54    H    TRP   7           H        TRP   7   0.144   2.887   4.539
   55    HA   TRP   7           HA       TRP   7  -1.679   3.009   6.860
   56    HB2  TRP   7           2HB      TRP   7  -2.428   2.952   3.952
   57    HB3  TRP   7           1HB      TRP   7  -3.443   2.111   5.104
   58    HD1  TRP   7           HD       TRP   7  -1.906   5.638   5.422
   59    HE1  TRP   7           1HE      TRP   7  -3.860   7.325   5.742
   60    HE3  TRP   7           3HE      TRP   7  -5.811   2.432   4.990
   61    HZ2  TRP   7           2HZ      TRP   7  -6.662   7.274   5.790
   62    HZ3  TRP   7           3HZ      TRP   7  -8.101   3.316   5.169
   63    HH2  TRP   7           HH       TRP   7  -8.509   5.688   5.563
   64    H    THR   8           H        THR   8  -3.068   0.845   6.793
   65    HA   THR   8           HA       THR   8  -1.161  -1.306   6.466
   66    HB   THR   8           HB       THR   8  -3.069  -2.581   7.621
   67    HG1  THR   8           1HG      THR   8  -4.584  -0.767   7.122
   68   HG21  THR   8          3HG2      THR   8  -2.434  -1.706   9.832
   69   HG22  THR   8          1HG2      THR   8  -1.744  -0.278   9.061
   70   HG23  THR   8          2HG2      THR   8  -1.030  -1.865   8.781
   71    H    CYS   9           H        CYS   9  -1.803  -3.265   5.334
   72    HA   CYS   9           HA       CYS   9  -3.751  -2.699   3.225
   73    HB2  CYS   9           2HB      CYS   9  -2.417  -4.246   1.813
   74    HB3  CYS   9           1HB      CYS   9  -1.574  -2.772   2.263
   75    H    ASP  10           H        ASP  10  -4.719  -4.600   2.253
   76    HA   ASP  10           HA       ASP  10  -4.945  -6.931   4.010
   77    HB2  ASP  10           2HB      ASP  10  -7.185  -5.462   2.558
   78    HB3  ASP  10           1HB      ASP  10  -7.349  -7.067   3.231
   79    H    SER  11           H        SER  11  -6.156  -8.681   2.414
   80    HA   SER  11           HA       SER  11  -4.463  -8.749   0.113
   81    HB2  SER  11           2HB      SER  11  -5.756 -10.909  -0.298
   82    HB3  SER  11           1HB      SER  11  -4.828 -10.831   1.201
   83    HG   SER  11           HG       SER  11  -7.402 -11.293   0.903
   84    H    GLU  12           H        GLU  12  -7.843  -8.288   0.840
   85    HA   GLU  12           HA       GLU  12  -8.633  -7.964  -1.900
   86    HB2  GLU  12           2HB      GLU  12 -10.089  -7.292   0.645
   87    HB3  GLU  12           1HB      GLU  12 -10.797  -7.294  -0.963
   88    HG2  GLU  12           2HG      GLU  12 -10.353  -9.684  -1.148
   89    HG3  GLU  12           1HG      GLU  12  -9.646  -9.666   0.466
   90    H    ARG  13           H        ARG  13  -7.569  -5.887   0.671
   91    HA   ARG  13           HA       ARG  13  -8.258  -3.580  -0.978
   92    HB2  ARG  13           2HB      ARG  13  -8.996  -3.557   1.427
   93    HB3  ARG  13           1HB      ARG  13  -7.299  -3.571   1.881
   94    HG2  ARG  13           2HG      ARG  13  -8.126  -1.325   1.997
   95    HG3  ARG  13           1HG      ARG  13  -6.958  -1.486   0.690
   96    HD2  ARG  13           2HD      ARG  13  -8.918  -0.129   0.042
   97    HD3  ARG  13           1HD      ARG  13  -8.698  -1.551  -0.969
   98    HE   ARG  13           HE       ARG  13 -10.428  -2.326   1.010
   99   HH11  ARG  13          1HH1      ARG  13 -10.428   0.132  -1.525
  100   HH12  ARG  13          2HH1      ARG  13 -12.111   0.210  -1.688
  101   HH21  ARG  13          1HH2      ARG  13 -12.782  -2.281   0.788
  102   HH22  ARG  13          2HH2      ARG  13 -13.507  -1.217  -0.302
  103    H    LYS  14           H        LYS  14  -6.743  -3.089  -2.282
  104    HA   LYS  14           HA       LYS  14  -3.986  -3.683  -1.550
  105    HB2  LYS  14           2HB      LYS  14  -5.136  -3.163  -4.302
  106    HB3  LYS  14           1HB      LYS  14  -3.480  -3.641  -3.947
  107    HG2  LYS  14           2HG      LYS  14  -4.350  -5.760  -2.976
  108    HG3  LYS  14           1HG      LYS  14  -5.965  -5.283  -3.485
  109    HD2  LYS  14           2HD      LYS  14  -5.140  -5.196  -5.828
  110    HD3  LYS  14           1HD      LYS  14  -3.584  -5.799  -5.264
  111    HE2  LYS  14           2HE      LYS  14  -6.241  -7.224  -5.050
  112    HE3  LYS  14           1HE      LYS  14  -4.934  -7.621  -6.160
  113    HZ1  LYS  14           3HZ      LYS  14  -3.539  -8.143  -4.179
  114    HZ2  LYS  14           1HZ      LYS  14  -4.907  -9.115  -4.286
  115    HZ3  LYS  14           2HZ      LYS  14  -4.884  -7.870  -3.193
  116    H    CYS  15           H        CYS  15  -2.454  -2.182  -1.610
  117    HA   CYS  15           HA       CYS  15  -3.356   0.367  -0.880
  118    HB2  CYS  15           2HB      CYS  15  -0.534  -0.637  -1.248
  119    HB3  CYS  15           1HB      CYS  15  -1.048   0.841  -0.404
  120    H    CYS  16           H        CYS  16  -3.932   1.831  -2.068
  121    HA   CYS  16           HA       CYS  16  -3.648   1.914  -4.877
  122    HB2  CYS  16           2HB      CYS  16  -4.610   4.108  -3.016
  123    HB3  CYS  16           1HB      CYS  16  -4.963   3.968  -4.738
  124    H    GLU  17           H        GLU  17  -2.725   3.714  -6.151
  125    HA   GLU  17           HA       GLU  17  -1.116   5.075  -6.859
  126    HB2  GLU  17           2HB      GLU  17  -0.694   5.266  -3.993
  127    HB3  GLU  17           1HB      GLU  17   0.492   6.065  -5.049
  128    HG2  GLU  17           2HG      GLU  17  -2.487   6.580  -4.749
  129    HG3  GLU  17           1HG      GLU  17  -1.197   7.654  -4.219
  130    H    GLY  18           H        GLY  18  -0.841   2.196  -5.983
  131    HA2  GLY  18           2HA      GLY  18   0.657   0.514  -6.508
  132    HA3  GLY  18           1HA      GLY  18   1.716   1.751  -7.177
  133    H    MET  19           H        MET  19   0.448   1.220  -3.923
  134    HA   MET  19           HA       MET  19   3.136   1.700  -2.920
  135    HB2  MET  19           2HB      MET  19   0.468   1.630  -1.530
  136    HB3  MET  19           1HB      MET  19   2.003   1.885  -0.707
  137    HG2  MET  19           2HG      MET  19   2.355   3.908  -2.023
  138    HG3  MET  19           1HG      MET  19   0.805   3.649  -2.822
  139    HE1  MET  19           3HE      MET  19   0.125   6.076  -2.186
  140    HE2  MET  19           1HE      MET  19   1.619   6.358  -1.299
  141    HE3  MET  19           2HE      MET  19   0.065   6.702  -0.540
  142    H    VAL  20           H        VAL  20   4.105   0.268  -1.451
  143    HA   VAL  20           HA       VAL  20   3.497  -2.471  -2.067
  144    HB   VAL  20           HB       VAL  20   5.531  -3.051  -0.720
  145   HG11  VAL  20          1HG1      VAL  20   7.123  -2.072  -2.311
  146   HG12  VAL  20          2HG1      VAL  20   5.875  -0.947  -2.848
  147   HG13  VAL  20          3HG1      VAL  20   5.674  -2.679  -3.113
  148   HG21  VAL  20          3HG2      VAL  20   7.033  -1.239  -0.006
  149   HG22  VAL  20          1HG2      VAL  20   5.499  -1.169   0.859
  150   HG23  VAL  20          2HG2      VAL  20   5.818  -0.046  -0.463
  151    H    CYS  21           H        CYS  21   2.396  -3.883  -0.975
  152    HA   CYS  21           HA       CYS  21   1.066  -3.282   1.490
  153    HB2  CYS  21           2HB      CYS  21   0.128  -4.795  -0.299
  154    HB3  CYS  21           1HB      CYS  21   1.497  -5.850   0.093
  155    H    ARG  22           H        ARG  22   2.279  -3.155   3.254
  156    HA   ARG  22           HA       ARG  22   3.941  -5.366   4.073
  157    HB2  ARG  22           2HB      ARG  22   4.639  -2.595   3.435
  158    HB3  ARG  22           1HB      ARG  22   5.588  -3.383   4.716
  159    HG2  ARG  22           2HG      ARG  22   5.257  -4.103   1.830
  160    HG3  ARG  22           1HG      ARG  22   6.723  -3.414   2.537
  161    HD2  ARG  22           2HD      ARG  22   6.892  -5.478   3.946
  162    HD3  ARG  22           1HD      ARG  22   5.517  -6.134   3.066
  163    HE   ARG  22           HE       ARG  22   7.173  -5.525   1.082
  164   HH11  ARG  22          1HH1      ARG  22   7.734  -7.287   4.093
  165   HH12  ARG  22          2HH1      ARG  22   8.944  -8.292   3.446
  166   HH21  ARG  22          1HH2      ARG  22   8.829  -6.939   0.183
  167   HH22  ARG  22          2HH2      ARG  22   9.549  -8.097   1.187
  168    H    LEU  23           H        LEU  23   4.938  -3.632   6.213
  169    HA   LEU  23           HA       LEU  23   2.810  -3.796   8.076
  170    HB2  LEU  23           2HB      LEU  23   5.332  -2.095   8.282
  171    HB3  LEU  23           1HB      LEU  23   4.221  -2.400   9.584
  172    HG   LEU  23           HG       LEU  23   4.859  -4.844   9.436
  173   HD11  LEU  23          1HD1      LEU  23   7.073  -3.797   7.685
  174   HD12  LEU  23          2HD1      LEU  23   5.794  -4.911   7.201
  175   HD13  LEU  23          3HD1      LEU  23   6.992  -5.408   8.395
  176   HD21  LEU  23          3HD2      LEU  23   5.716  -3.376  11.167
  177   HD22  LEU  23          1HD2      LEU  23   7.019  -2.855  10.099
  178   HD23  LEU  23          2HD2      LEU  23   6.953  -4.527  10.657
  179    H    TRP  24           H        TRP  24   4.234  -1.229   6.215
  180    HA   TRP  24           HA       TRP  24   1.749   0.268   6.312
  181    HB2  TRP  24           2HB      TRP  24   4.509   1.340   6.832
  182    HB3  TRP  24           1HB      TRP  24   3.257   2.361   6.155
  183    HD1  TRP  24           HD       TRP  24   0.988   2.590   7.791
  184    HE1  TRP  24           1HE      TRP  24   0.915   2.857  10.341
  185    HE3  TRP  24           3HE      TRP  24   5.610   0.778   8.872
  186    HZ2  TRP  24           2HZ      TRP  24   2.643   2.360  12.541
  187    HZ3  TRP  24           3HZ      TRP  24   6.341   0.709  11.228
  188    HH2  TRP  24           HH       TRP  24   4.880   1.487  13.018
  189    H    CYS  25           H        CYS  25   1.102   0.529   4.348
  190    HA   CYS  25           HA       CYS  25   2.784   0.087   2.090
  191    HB2  CYS  25           2HB      CYS  25  -0.012   1.194   2.323
  192    HB3  CYS  25           1HB      CYS  25   0.804   0.887   0.792
  193    H    LYS  26           H        LYS  26   4.026   1.472   1.136
  194    HA   LYS  26           HA       LYS  26   3.488   4.331   1.295
  195    HB2  LYS  26           2HB      LYS  26   6.168   3.014   1.829
  196    HB3  LYS  26           1HB      LYS  26   5.933   4.733   1.582
  197    HG2  LYS  26           2HG      LYS  26   4.659   4.919   3.597
  198    HG3  LYS  26           1HG      LYS  26   4.652   3.172   3.816
  199    HD2  LYS  26           2HD      LYS  26   6.294   4.188   5.294
  200    HD3  LYS  26           1HD      LYS  26   7.105   3.225   4.064
  201    HE2  LYS  26           2HE      LYS  26   7.596   5.247   2.792
  202    HE3  LYS  26           1HE      LYS  26   6.763   6.221   4.004
  203    HZ1  LYS  26           3HZ      LYS  26   9.231   4.610   4.442
  204    HZ2  LYS  26           1HZ      LYS  26   8.412   5.480   5.633
  205    HZ3  LYS  26           2HZ      LYS  26   9.113   6.290   4.368
  206    H    LYS  27           H        LYS  27   4.912   5.441  -0.399
  207    HA   LYS  27           HA       LYS  27   4.415   4.063  -2.846
  208    HB2  LYS  27           2HB      LYS  27   5.914   6.648  -2.468
  209    HB3  LYS  27           1HB      LYS  27   5.207   6.053  -3.956
  210    HG2  LYS  27           2HG      LYS  27   2.968   6.229  -2.827
  211    HG3  LYS  27           1HG      LYS  27   3.798   7.079  -1.514
  212    HD2  LYS  27           2HD      LYS  27   3.635   7.926  -4.417
  213    HD3  LYS  27           1HD      LYS  27   2.832   8.695  -3.052
  214    HE2  LYS  27           2HE      LYS  27   5.812   8.548  -3.530
  215    HE3  LYS  27           1HE      LYS  27   4.796   9.960  -3.755
  216    HZ1  LYS  27           3HZ      LYS  27   6.019   9.991  -1.663
  217    HZ2  LYS  27           1HZ      LYS  27   5.231   8.602  -1.150
  218    HZ3  LYS  27           2HZ      LYS  27   4.358  10.026  -1.401
  219    H    LYS  28           H        LYS  28   5.800   3.084  -4.110
  220    HA   LYS  28           HA       LYS  28   8.531   2.890  -3.156
  221    HB2  LYS  28           2HB      LYS  28   8.721   0.988  -4.777
  222    HB3  LYS  28           1HB      LYS  28   7.616   0.717  -3.444
  223    HG2  LYS  28           2HG      LYS  28   5.714   1.054  -4.876
  224    HG3  LYS  28           1HG      LYS  28   6.756   1.554  -6.209
  225    HD2  LYS  28           2HD      LYS  28   6.829  -1.174  -4.923
  226    HD3  LYS  28           1HD      LYS  28   5.928  -0.796  -6.389
  227    HE2  LYS  28           2HE      LYS  28   8.016  -0.112  -7.476
  228    HE3  LYS  28           1HE      LYS  28   8.920  -0.539  -6.025
  229    HZ1  LYS  28           3HZ      LYS  28   7.337  -2.398  -7.701
  230    HZ2  LYS  28           1HZ      LYS  28   8.192  -2.826  -6.307
  231    HZ3  LYS  28           2HZ      LYS  28   9.010  -2.275  -7.672
  232    H    LEU  29           H        LEU  29   9.625   4.517  -3.909
  233    HA   LEU  29           HA       LEU  29   9.223   5.468  -6.608
  234    HB2  LEU  29           2HB      LEU  29   9.555   7.031  -4.715
  235    HB3  LEU  29           1HB      LEU  29  11.145   6.355  -4.450
  236    HG   LEU  29           HG       LEU  29  11.890   7.237  -6.619
  237   HD11  LEU  29          1HD1      LEU  29   9.124   8.438  -6.773
  238   HD12  LEU  29          2HD1      LEU  29   9.767   7.168  -7.816
  239   HD13  LEU  29          3HD1      LEU  29  10.463   8.786  -7.866
  240   HD21  LEU  29          3HD2      LEU  29  10.562   9.282  -4.847
  241   HD22  LEU  29          1HD2      LEU  29  11.848   9.600  -6.009
  242   HD23  LEU  29          2HD2      LEU  29  12.162   8.580  -4.607
  243    H    TRP  30           H        TRP  30  11.260   3.411  -4.803
  244    HA   TRP  30           HA       TRP  30  12.886   2.869  -7.183
  245    HB2  TRP  30           2HB      TRP  30  13.885   2.865  -4.311
  246    HB3  TRP  30           1HB      TRP  30  14.806   2.367  -5.716
  247    HD1  TRP  30           HD       TRP  30  15.553   4.272  -7.345
  248    HE1  TRP  30           1HE      TRP  30  16.048   6.811  -6.937
  249    HE3  TRP  30           3HE      TRP  30  13.147   4.809  -2.927
  250    HZ2  TRP  30           2HZ      TRP  30  15.465   8.731  -4.944
  251    HZ3  TRP  30           3HZ      TRP  30  13.148   6.999  -1.814
  252    HH2  TRP  30           HH       TRP  30  14.290   8.918  -2.808
  Start of MODEL   17
    1    H1   TYR   1           H        TYR   1 -11.092   4.742   1.783
    2    HA   TYR   1           HA       TYR   1 -10.606   2.532   1.575
    3    HB2  TYR   1           2HB      TYR   1 -11.259   2.904  -1.362
    4    HB3  TYR   1           1HB      TYR   1 -10.970   1.361  -0.571
    5    HD1  TYR   1           1HD      TYR   1 -12.617   0.544   1.142
    6    HD2  TYR   1           2HD      TYR   1 -13.380   3.947  -1.291
    7    HE1  TYR   1           1HE      TYR   1 -15.012   0.370   1.654
    8    HE2  TYR   1           2HE      TYR   1 -15.764   3.785  -0.791
    9    HH   TYR   1           HH       TYR   1 -17.371   2.088  -0.074
   10    H    CYS   2           H        CYS   2  -9.190   5.022  -0.074
   11    HA   CYS   2           HA       CYS   2  -6.977   3.446  -0.983
   12    HB2  CYS   2           2HB      CYS   2  -7.748   6.275  -1.463
   13    HB3  CYS   2           1HB      CYS   2  -6.099   5.738  -1.777
   14    H    GLN   3           H        GLN   3  -4.995   3.606  -0.455
   15    HA   GLN   3           HA       GLN   3  -4.608   4.128   2.277
   16    HB2  GLN   3           2HB      GLN   3  -2.967   2.717   0.165
   17    HB3  GLN   3           1HB      GLN   3  -2.236   3.134   1.706
   18    HG2  GLN   3           2HG      GLN   3  -3.057   0.844   1.653
   19    HG3  GLN   3           1HG      GLN   3  -3.844   1.790   2.904
   20   HE21  GLN   3          1HE2      GLN   3  -5.671   0.929   3.078
   21   HE22  GLN   3          2HE2      GLN   3  -6.858   0.828   1.834
   22    H    LYS   4           H        LYS   4  -3.886   6.215   2.815
   23    HA   LYS   4           HA       LYS   4  -2.376   7.687   0.788
   24    HB2  LYS   4           2HB      LYS   4  -3.672   8.557   3.357
   25    HB3  LYS   4           1HB      LYS   4  -2.760   9.634   2.303
   26    HG2  LYS   4           2HG      LYS   4  -4.381   9.107   0.488
   27    HG3  LYS   4           1HG      LYS   4  -5.322   8.191   1.667
   28    HD2  LYS   4           2HD      LYS   4  -4.544  11.048   1.973
   29    HD3  LYS   4           1HD      LYS   4  -6.093  10.544   1.282
   30    HE2  LYS   4           2HE      LYS   4  -6.672   9.441   3.389
   31    HE3  LYS   4           1HE      LYS   4  -5.106   9.875   4.069
   32    HZ1  LYS   4           3HZ      LYS   4  -5.689  12.183   3.854
   33    HZ2  LYS   4           1HZ      LYS   4  -6.809  11.377   4.820
   34    HZ3  LYS   4           2HZ      LYS   4  -7.202  11.811   3.220
   35    H    TRP   5           H        TRP   5  -0.388   7.592   0.849
   36    HA   TRP   5           HA       TRP   5   1.643   6.597   1.400
   37    HB2  TRP   5           2HB      TRP   5   1.436   9.048   2.463
   38    HB3  TRP   5           1HB      TRP   5   1.643   8.141   3.957
   39    HD1  TRP   5           HD       TRP   5   3.981   6.332   3.759
   40    HE1  TRP   5           1HE      TRP   5   6.311   6.994   2.904
   41    HE3  TRP   5           3HE      TRP   5   2.715  10.481   1.054
   42    HZ2  TRP   5           2HZ      TRP   5   7.459   8.991   1.299
   43    HZ3  TRP   5           3HZ      TRP   5   4.489  11.705  -0.111
   44    HH2  TRP   5           HH       TRP   5   6.809  10.977   0.003
   45    H    MET   6           H        MET   6   2.127   6.569   4.525
   46    HA   MET   6           HA       MET   6   1.873   3.776   4.663
   47    HB2  MET   6           2HB      MET   6   2.590   3.916   7.008
   48    HB3  MET   6           1HB      MET   6   3.614   4.854   5.936
   49    HG2  MET   6           2HG      MET   6   2.590   6.894   6.693
   50    HG3  MET   6           1HG      MET   6   1.427   5.987   7.654
   51    HE1  MET   6           3HE      MET   6   3.598   7.561  10.437
   52    HE2  MET   6           1HE      MET   6   1.986   7.382   9.756
   53    HE3  MET   6           2HE      MET   6   3.204   8.336   8.902
   54    H    TRP   7           H        TRP   7   0.056   2.863   4.536
   55    HA   TRP   7           HA       TRP   7  -1.875   3.143   6.744
   56    HB2  TRP   7           2HB      TRP   7  -2.472   3.243   3.806
   57    HB3  TRP   7           1HB      TRP   7  -3.610   2.451   4.877
   58    HD1  TRP   7           HD       TRP   7  -1.800   5.836   5.377
   59    HE1  TRP   7           1HE      TRP   7  -3.589   7.654   5.682
   60    HE3  TRP   7           3HE      TRP   7  -5.937   2.964   4.714
   61    HZ2  TRP   7           2HZ      TRP   7  -6.393   7.834   5.655
   62    HZ3  TRP   7           3HZ      TRP   7  -8.146   4.026   4.866
   63    HH2  TRP   7           HH       TRP   7  -8.361   6.424   5.327
   64    H    THR   8           H        THR   8  -3.233   1.124   6.859
   65    HA   THR   8           HA       THR   8  -1.481  -1.093   6.430
   66    HB   THR   8           HB       THR   8  -3.301  -2.300   7.684
   67    HG1  THR   8           1HG      THR   8  -5.105  -1.254   7.541
   68   HG21  THR   8          3HG2      THR   8  -1.364  -1.362   8.844
   69   HG22  THR   8          1HG2      THR   8  -2.818  -1.191   9.827
   70   HG23  THR   8          2HG2      THR   8  -2.173   0.200   8.954
   71    H    CYS   9           H        CYS   9  -1.870  -2.786   5.028
   72    HA   CYS   9           HA       CYS   9  -4.178  -2.509   3.253
   73    HB2  CYS   9           2HB      CYS   9  -2.785  -3.820   1.619
   74    HB3  CYS   9           1HB      CYS   9  -2.164  -2.212   1.984
   75    H    ASP  10           H        ASP  10  -4.563  -4.828   2.231
   76    HA   ASP  10           HA       ASP  10  -4.420  -6.846   4.346
   77    HB2  ASP  10           2HB      ASP  10  -6.918  -6.059   2.788
   78    HB3  ASP  10           1HB      ASP  10  -6.762  -7.492   3.785
   79    H    SER  11           H        SER  11  -5.563  -8.929   3.063
   80    HA   SER  11           HA       SER  11  -3.784  -9.390   0.892
   81    HB2  SER  11           2HB      SER  11  -4.640 -11.211   2.425
   82    HB3  SER  11           1HB      SER  11  -6.230 -10.999   1.701
   83    HG   SER  11           HG       SER  11  -4.053 -12.324   0.777
   84    H    GLU  12           H        GLU  12  -7.202  -8.731   1.273
   85    HA   GLU  12           HA       GLU  12  -7.807  -8.581  -1.520
   86    HB2  GLU  12           2HB      GLU  12  -9.257  -7.620   0.921
   87    HB3  GLU  12           1HB      GLU  12  -9.902  -7.503  -0.700
   88    HG2  GLU  12           2HG      GLU  12  -9.829  -9.954  -0.865
   89    HG3  GLU  12           1HG      GLU  12  -9.236 -10.024   0.798
   90    H    ARG  13           H        ARG  13  -7.439  -6.236   1.085
   91    HA   ARG  13           HA       ARG  13  -7.817  -4.027  -0.651
   92    HB2  ARG  13           2HB      ARG  13  -8.492  -3.912   1.690
   93    HB3  ARG  13           1HB      ARG  13  -6.822  -4.106   2.189
   94    HG2  ARG  13           2HG      ARG  13  -7.510  -1.768   2.357
   95    HG3  ARG  13           1HG      ARG  13  -6.236  -2.027   1.153
   96    HD2  ARG  13           2HD      ARG  13  -8.000  -0.460   0.416
   97    HD3  ARG  13           1HD      ARG  13  -7.751  -1.840  -0.650
   98    HE   ARG  13           HE       ARG  13  -9.824  -2.331   1.210
   99   HH11  ARG  13          1HH1      ARG  13  -9.131  -0.500  -1.750
  100   HH12  ARG  13          2HH1      ARG  13 -10.756  -0.509  -2.295
  101   HH21  ARG  13          1HH2      ARG  13 -12.063  -2.342   0.409
  102   HH22  ARG  13          2HH2      ARG  13 -12.413  -1.563  -1.066
  103    H    LYS  14           H        LYS  14  -6.433  -3.358  -1.987
  104    HA   LYS  14           HA       LYS  14  -3.595  -3.774  -1.516
  105    HB2  LYS  14           2HB      LYS  14  -3.315  -3.207  -3.910
  106    HB3  LYS  14           1HB      LYS  14  -4.350  -4.597  -3.651
  107    HG2  LYS  14           2HG      LYS  14  -6.309  -3.144  -3.961
  108    HG3  LYS  14           1HG      LYS  14  -5.220  -1.805  -4.332
  109    HD2  LYS  14           2HD      LYS  14  -4.289  -3.098  -6.191
  110    HD3  LYS  14           1HD      LYS  14  -5.398  -4.418  -5.816
  111    HE2  LYS  14           2HE      LYS  14  -6.331  -3.154  -7.617
  112    HE3  LYS  14           1HE      LYS  14  -7.259  -2.874  -6.133
  113    HZ1  LYS  14           3HZ      LYS  14  -6.841  -0.806  -7.378
  114    HZ2  LYS  14           1HZ      LYS  14  -5.184  -1.023  -7.169
  115    HZ3  LYS  14           2HZ      LYS  14  -6.183  -0.768  -5.841
  116    H    CYS  15           H        CYS  15  -2.162  -1.950  -2.177
  117    HA   CYS  15           HA       CYS  15  -3.107   0.397  -0.765
  118    HB2  CYS  15           2HB      CYS  15  -0.381  -0.099  -1.917
  119    HB3  CYS  15           1HB      CYS  15  -0.860   0.984  -0.610
  120    H    CYS  16           H        CYS  16  -3.950   1.999  -1.858
  121    HA   CYS  16           HA       CYS  16  -3.897   2.301  -4.643
  122    HB2  CYS  16           2HB      CYS  16  -4.568   4.263  -2.466
  123    HB3  CYS  16           1HB      CYS  16  -4.692   4.690  -4.166
  124    H    GLU  17           H        GLU  17  -3.027   4.051  -5.925
  125    HA   GLU  17           HA       GLU  17  -1.470   5.359  -6.786
  126    HB2  GLU  17           2HB      GLU  17  -1.497   6.505  -4.505
  127    HB3  GLU  17           1HB      GLU  17  -0.122   5.507  -4.067
  128    HG2  GLU  17           2HG      GLU  17   0.594   7.713  -4.743
  129    HG3  GLU  17           1HG      GLU  17   1.149   6.481  -5.888
  130    H    GLY  18           H        GLY  18  -1.319   2.436  -6.122
  131    HA2  GLY  18           2HA      GLY  18  -0.021   0.638  -6.669
  132    HA3  GLY  18           1HA      GLY  18   0.976   1.750  -7.596
  133    H    MET  19           H        MET  19   0.266   1.502  -4.163
  134    HA   MET  19           HA       MET  19   3.134   1.695  -3.693
  135    HB2  MET  19           2HB      MET  19   0.835   2.078  -1.781
  136    HB3  MET  19           1HB      MET  19   2.529   2.195  -1.323
  137    HG2  MET  19           2HG      MET  19   2.750   4.021  -3.046
  138    HG3  MET  19           1HG      MET  19   0.999   3.967  -3.206
  139    HE1  MET  19           3HE      MET  19   0.221   3.346  -0.108
  140    HE2  MET  19           1HE      MET  19  -0.659   4.459  -1.158
  141    HE3  MET  19           2HE      MET  19  -0.115   4.990   0.432
  142    H    VAL  20           H        VAL  20   4.014   0.438  -1.848
  143    HA   VAL  20           HA       VAL  20   3.369  -2.294  -2.469
  144    HB   VAL  20           HB       VAL  20   5.711  -1.701  -2.555
  145   HG11  VAL  20          1HG1      VAL  20   5.508  -0.957   0.349
  146   HG12  VAL  20          2HG1      VAL  20   5.728   0.152  -1.002
  147   HG13  VAL  20          3HG1      VAL  20   6.992  -1.009  -0.607
  148   HG21  VAL  20          3HG2      VAL  20   5.179  -3.463  -0.164
  149   HG22  VAL  20          1HG2      VAL  20   6.691  -3.395  -1.070
  150   HG23  VAL  20          2HG2      VAL  20   5.216  -3.980  -1.847
  151    H    CYS  21           H        CYS  21   2.414  -3.688  -1.248
  152    HA   CYS  21           HA       CYS  21   1.136  -2.858   1.175
  153    HB2  CYS  21           2HB      CYS  21  -0.023  -4.246  -0.515
  154    HB3  CYS  21           1HB      CYS  21   1.153  -5.525  -0.262
  155    H    ARG  22           H        ARG  22   1.601  -3.531   3.207
  156    HA   ARG  22           HA       ARG  22   3.473  -5.517   3.937
  157    HB2  ARG  22           2HB      ARG  22   4.888  -3.526   2.999
  158    HB3  ARG  22           1HB      ARG  22   4.279  -2.603   4.355
  159    HG2  ARG  22           2HG      ARG  22   6.529  -3.397   4.757
  160    HG3  ARG  22           1HG      ARG  22   5.434  -4.147   5.907
  161    HD2  ARG  22           2HD      ARG  22   5.374  -6.150   4.435
  162    HD3  ARG  22           1HD      ARG  22   6.561  -5.369   3.396
  163    HE   ARG  22           HE       ARG  22   7.746  -5.277   5.793
  164   HH11  ARG  22          1HH1      ARG  22   6.145  -7.937   4.112
  165   HH12  ARG  22          2HH1      ARG  22   7.206  -9.133   4.677
  166   HH21  ARG  22          1HH2      ARG  22   9.218  -6.945   6.603
  167   HH22  ARG  22          2HH2      ARG  22   8.995  -8.562   6.123
  168    H    LEU  23           H        LEU  23   3.933  -4.278   6.554
  169    HA   LEU  23           HA       LEU  23   1.424  -4.293   7.792
  170    HB2  LEU  23           2HB      LEU  23   3.926  -2.829   8.649
  171    HB3  LEU  23           1HB      LEU  23   2.547  -3.146   9.675
  172    HG   LEU  23           HG       LEU  23   4.417  -5.207   8.524
  173   HD11  LEU  23          1HD1      LEU  23   5.110  -5.521  10.829
  174   HD12  LEU  23          2HD1      LEU  23   4.008  -4.244  11.344
  175   HD13  LEU  23          3HD1      LEU  23   5.384  -3.856  10.313
  176   HD21  LEU  23          3HD2      LEU  23   2.052  -5.524  10.372
  177   HD22  LEU  23          1HD2      LEU  23   3.185  -6.796   9.916
  178   HD23  LEU  23          2HD2      LEU  23   2.142  -6.074   8.698
  179    H    TRP  24           H        TRP  24   3.350  -1.764   6.373
  180    HA   TRP  24           HA       TRP  24   0.997  -0.107   6.183
  181    HB2  TRP  24           2HB      TRP  24   3.647   0.789   7.302
  182    HB3  TRP  24           1HB      TRP  24   2.588   1.945   6.514
  183    HD1  TRP  24           HD       TRP  24   0.247   2.480   7.755
  184    HE1  TRP  24           1HE      TRP  24  -0.467   2.234  10.220
  185    HE3  TRP  24           3HE      TRP  24   3.960  -0.544   9.305
  186    HZ2  TRP  24           2HZ      TRP  24   0.459   0.902  12.541
  187    HZ3  TRP  24           3HZ      TRP  24   4.017  -1.299  11.683
  188    HH2  TRP  24           HH       TRP  24   2.289  -0.574  13.257
  189    H    CYS  25           H        CYS  25   0.642   0.426   4.259
  190    HA   CYS  25           HA       CYS  25   2.293  -0.152   2.043
  191    HB2  CYS  25           2HB      CYS  25   0.038   1.839   2.230
  192    HB3  CYS  25           1HB      CYS  25   0.685   1.104   0.772
  193    H    LYS  26           H        LYS  26   3.865   1.072   1.220
  194    HA   LYS  26           HA       LYS  26   3.805   3.935   1.671
  195    HB2  LYS  26           2HB      LYS  26   6.293   2.225   2.057
  196    HB3  LYS  26           1HB      LYS  26   6.256   3.979   2.067
  197    HG2  LYS  26           2HG      LYS  26   4.741   3.851   4.056
  198    HG3  LYS  26           1HG      LYS  26   5.022   2.113   4.082
  199    HD2  LYS  26           2HD      LYS  26   7.441   2.541   4.337
  200    HD3  LYS  26           1HD      LYS  26   7.108   4.274   4.372
  201    HE2  LYS  26           2HE      LYS  26   5.608   3.855   6.341
  202    HE3  LYS  26           1HE      LYS  26   6.186   2.195   6.349
  203    HZ1  LYS  26           3HZ      LYS  26   8.453   3.067   6.659
  204    HZ2  LYS  26           1HZ      LYS  26   7.418   3.514   7.917
  205    HZ3  LYS  26           2HZ      LYS  26   7.817   4.630   6.731
  206    H    LYS  27           H        LYS  27   5.068   5.016   0.032
  207    HA   LYS  27           HA       LYS  27   4.838   3.536  -2.408
  208    HB2  LYS  27           2HB      LYS  27   5.568   5.671  -3.540
  209    HB3  LYS  27           1HB      LYS  27   4.081   5.756  -2.611
  210    HG2  LYS  27           2HG      LYS  27   5.246   6.892  -0.808
  211    HG3  LYS  27           1HG      LYS  27   6.772   6.741  -1.679
  212    HD2  LYS  27           2HD      LYS  27   5.780   8.986  -1.930
  213    HD3  LYS  27           1HD      LYS  27   5.919   8.150  -3.474
  214    HE2  LYS  27           2HE      LYS  27   3.539   7.559  -3.370
  215    HE3  LYS  27           1HE      LYS  27   3.405   8.364  -1.806
  216    HZ1  LYS  27           3HZ      LYS  27   2.611   9.726  -3.649
  217    HZ2  LYS  27           1HZ      LYS  27   4.141   9.712  -4.357
  218    HZ3  LYS  27           2HZ      LYS  27   3.889  10.444  -2.858
  219    H    LYS  28           H        LYS  28   6.436   3.220  -3.926
  220    HA   LYS  28           HA       LYS  28   8.791   2.146  -2.829
  221    HB2  LYS  28           2HB      LYS  28   8.060   2.716  -5.713
  222    HB3  LYS  28           1HB      LYS  28   9.415   1.732  -5.183
  223    HG2  LYS  28           2HG      LYS  28   7.913   0.113  -4.198
  224    HG3  LYS  28           1HG      LYS  28   6.522   1.111  -4.611
  225    HD2  LYS  28           2HD      LYS  28   6.737  -0.682  -6.229
  226    HD3  LYS  28           1HD      LYS  28   7.093   0.854  -7.010
  227    HE2  LYS  28           2HE      LYS  28   8.690  -0.827  -7.730
  228    HE3  LYS  28           1HE      LYS  28   9.506   0.393  -6.759
  229    HZ1  LYS  28           3HZ      LYS  28   9.432  -1.123  -4.870
  230    HZ2  LYS  28           1HZ      LYS  28  10.219  -1.833  -6.168
  231    HZ3  LYS  28           2HZ      LYS  28   8.654  -2.289  -5.802
  232    H    LEU  29           H        LEU  29  10.357   3.319  -2.083
  233    HA   LEU  29           HA       LEU  29  11.307   5.679  -3.557
  234    HB2  LEU  29           2HB      LEU  29  10.936   5.452  -0.560
  235    HB3  LEU  29           1HB      LEU  29  11.675   6.799  -1.392
  236    HG   LEU  29           HG       LEU  29   8.783   5.985  -1.669
  237   HD11  LEU  29          1HD1      LEU  29   8.327   8.016  -0.382
  238   HD12  LEU  29          2HD1      LEU  29  10.060   8.232  -0.122
  239   HD13  LEU  29          3HD1      LEU  29   9.231   6.825   0.548
  240   HD21  LEU  29          3HD2      LEU  29  10.265   8.418  -2.652
  241   HD22  LEU  29          1HD2      LEU  29   8.528   8.148  -2.786
  242   HD23  LEU  29          2HD2      LEU  29   9.651   7.104  -3.660
  243    H    TRP  30           H        TRP  30  12.240   3.073  -3.696
  244    HA   TRP  30           HA       TRP  30  14.098   1.812  -3.682
  245    HB2  TRP  30           2HB      TRP  30  15.485   4.232  -2.480
  246    HB3  TRP  30           1HB      TRP  30  16.318   2.808  -3.065
  247    HD1  TRP  30           HD       TRP  30  14.954   6.073  -4.133
  248    HE1  TRP  30           1HE      TRP  30  15.334   6.422  -6.698
  249    HE3  TRP  30           3HE      TRP  30  16.381   1.348  -5.388
  250    HZ2  TRP  30           2HZ      TRP  30  16.144   4.878  -8.902
  251    HZ3  TRP  30           3HZ      TRP  30  16.947   0.856  -7.731
  252    HH2  TRP  30           HH       TRP  30  16.828   2.590  -9.447
  Start of MODEL   18
    1    H1   TYR   1           H        TYR   1 -11.088   2.252   0.624
    2    HA   TYR   1           HA       TYR   1 -10.946   5.020   0.841
    3    HB2  TYR   1           2HB      TYR   1 -10.092   3.449   3.285
    4    HB3  TYR   1           1HB      TYR   1  -9.703   5.137   2.977
    5    HD1  TYR   1           2HD      TYR   1 -11.480   6.844   3.040
    6    HD2  TYR   1           1HD      TYR   1 -12.245   2.795   4.083
    7    HE1  TYR   1           2HE      TYR   1 -13.567   7.525   4.108
    8    HE2  TYR   1           1HE      TYR   1 -14.340   3.460   5.158
    9    HH   TYR   1           HH       TYR   1 -15.347   5.454   6.138
   10    H    CYS   2           H        CYS   2  -9.009   5.660   0.120
   11    HA   CYS   2           HA       CYS   2  -7.263   3.536  -0.695
   12    HB2  CYS   2           2HB      CYS   2  -7.567   6.364  -1.517
   13    HB3  CYS   2           1HB      CYS   2  -6.051   5.527  -1.820
   14    H    GLN   3           H        GLN   3  -5.193   3.432  -0.341
   15    HA   GLN   3           HA       GLN   3  -4.537   4.132   2.280
   16    HB2  GLN   3           2HB      GLN   3  -3.257   2.348   0.212
   17    HB3  GLN   3           1HB      GLN   3  -2.393   2.754   1.685
   18    HG2  GLN   3           2HG      GLN   3  -3.556   0.613   1.836
   19    HG3  GLN   3           1HG      GLN   3  -4.094   1.758   3.050
   20   HE21  GLN   3          1HE2      GLN   3  -6.014   1.170   3.401
   21   HE22  GLN   3          2HE2      GLN   3  -7.288   1.180   2.235
   22    H    LYS   4           H        LYS   4  -3.690   6.214   2.461
   23    HA   LYS   4           HA       LYS   4  -1.980   7.256   0.326
   24    HB2  LYS   4           2HB      LYS   4  -3.359   8.576   2.624
   25    HB3  LYS   4           1HB      LYS   4  -2.314   9.420   1.485
   26    HG2  LYS   4           2HG      LYS   4  -3.922   8.724  -0.312
   27    HG3  LYS   4           1HG      LYS   4  -4.977   8.124   0.974
   28    HD2  LYS   4           2HD      LYS   4  -3.857  10.861   0.850
   29    HD3  LYS   4           1HD      LYS   4  -5.453  10.462   0.188
   30    HE2  LYS   4           2HE      LYS   4  -6.191   9.774   2.433
   31    HE3  LYS   4           1HE      LYS   4  -4.588  10.092   3.079
   32    HZ1  LYS   4           3HZ      LYS   4  -6.334  12.167   1.870
   33    HZ2  LYS   4           1HZ      LYS   4  -4.850  12.402   2.632
   34    HZ3  LYS   4           2HZ      LYS   4  -6.186  11.882   3.519
   35    H    TRP   5           H        TRP   5   0.018   6.940   0.662
   36    HA   TRP   5           HA       TRP   5   2.045   6.449   1.673
   37    HB2  TRP   5           2HB      TRP   5   1.665   8.924   2.266
   38    HB3  TRP   5           1HB      TRP   5   1.084   8.374   3.825
   39    HD1  TRP   5           HD       TRP   5   4.155   6.440   2.636
   40    HE1  TRP   5           1HE      TRP   5   6.205   7.278   3.909
   41    HE3  TRP   5           3HE      TRP   5   2.131  10.580   4.848
   42    HZ2  TRP   5           2HZ      TRP   5   6.904   9.389   5.616
   43    HZ3  TRP   5           3HZ      TRP   5   3.566  11.958   6.292
   44    HH2  TRP   5           HH       TRP   5   5.912  11.367   6.667
   45    H    MET   6           H        MET   6   2.156   6.570   4.770
   46    HA   MET   6           HA       MET   6   1.835   3.789   5.069
   47    HB2  MET   6           2HB      MET   6   2.384   4.088   7.452
   48    HB3  MET   6           1HB      MET   6   3.512   4.877   6.365
   49    HG2  MET   6           2HG      MET   6   2.454   7.034   6.842
   50    HG3  MET   6           1HG      MET   6   1.324   6.230   7.931
   51    HE1  MET   6           3HE      MET   6   5.063   7.216   7.275
   52    HE2  MET   6           1HE      MET   6   5.195   5.467   7.452
   53    HE3  MET   6           2HE      MET   6   5.877   6.529   8.680
   54    H    TRP   7           H        TRP   7   0.086   2.856   4.873
   55    HA   TRP   7           HA       TRP   7  -2.067   3.231   6.849
   56    HB2  TRP   7           2HB      TRP   7  -2.391   3.104   3.846
   57    HB3  TRP   7           1HB      TRP   7  -3.639   2.481   4.906
   58    HD1  TRP   7           HD       TRP   7  -1.739   5.843   5.216
   59    HE1  TRP   7           1HE      TRP   7  -3.467   7.737   5.174
   60    HE3  TRP   7           3HE      TRP   7  -5.949   3.085   4.437
   61    HZ2  TRP   7           2HZ      TRP   7  -6.230   8.038   4.848
   62    HZ3  TRP   7           3HZ      TRP   7  -8.100   4.257   4.266
   63    HH2  TRP   7           HH       TRP   7  -8.225   6.697   4.467
   64    H    THR   8           H        THR   8  -3.557   1.145   6.679
   65    HA   THR   8           HA       THR   8  -1.707  -1.055   6.518
   66    HB   THR   8           HB       THR   8  -3.662  -2.238   7.708
   67    HG1  THR   8           1HG      THR   8  -5.298  -1.098   8.331
   68   HG21  THR   8          3HG2      THR   8  -2.986  -1.330   9.897
   69   HG22  THR   8          1HG2      THR   8  -2.243   0.049   9.088
   70   HG23  THR   8          2HG2      THR   8  -1.589  -1.570   8.847
   71    H    CYS   9           H        CYS   9  -2.044  -2.814   5.199
   72    HA   CYS   9           HA       CYS   9  -4.213  -2.550   3.270
   73    HB2  CYS   9           2HB      CYS   9  -2.723  -3.771   1.679
   74    HB3  CYS   9           1HB      CYS   9  -2.120  -2.188   2.143
   75    H    ASP  10           H        ASP  10  -4.480  -4.867   2.151
   76    HA   ASP  10           HA       ASP  10  -4.475  -6.953   4.192
   77    HB2  ASP  10           2HB      ASP  10  -6.698  -5.653   4.245
   78    HB3  ASP  10           1HB      ASP  10  -6.913  -6.177   2.578
   79    H    SER  11           H        SER  11  -5.692  -8.891   2.775
   80    HA   SER  11           HA       SER  11  -3.912  -9.352   0.576
   81    HB2  SER  11           2HB      SER  11  -6.307 -10.902   1.533
   82    HB3  SER  11           1HB      SER  11  -5.081 -11.499   0.413
   83    HG   SER  11           HG       SER  11  -4.194 -10.480   2.822
   84    H    GLU  12           H        GLU  12  -7.253  -8.431   1.095
   85    HA   GLU  12           HA       GLU  12  -7.838  -8.468  -1.751
   86    HB2  GLU  12           2HB      GLU  12  -9.435  -7.394   0.555
   87    HB3  GLU  12           1HB      GLU  12 -10.030  -7.613  -1.084
   88    HG2  GLU  12           2HG      GLU  12  -9.732 -10.037  -0.829
   89    HG3  GLU  12           1HG      GLU  12  -9.163  -9.776   0.821
   90    H    ARG  13           H        ARG  13  -7.694  -6.124   0.872
   91    HA   ARG  13           HA       ARG  13  -7.916  -3.871  -0.828
   92    HB2  ARG  13           2HB      ARG  13  -8.727  -3.800   1.454
   93    HB3  ARG  13           1HB      ARG  13  -7.102  -4.064   2.060
   94    HG2  ARG  13           2HG      ARG  13  -7.499  -1.776   2.337
   95    HG3  ARG  13           1HG      ARG  13  -6.463  -1.903   0.933
   96    HD2  ARG  13           2HD      ARG  13  -9.460  -1.602   0.780
   97    HD3  ARG  13           1HD      ARG  13  -8.345  -0.248   0.753
   98    HE   ARG  13           HE       ARG  13  -8.344  -2.365  -1.301
   99   HH11  ARG  13          1HH1      ARG  13  -8.272   1.086  -0.413
  100   HH12  ARG  13          2HH1      ARG  13  -8.164   1.599  -2.021
  101   HH21  ARG  13          1HH2      ARG  13  -8.103  -1.598  -3.482
  102   HH22  ARG  13          2HH2      ARG  13  -8.036   0.071  -3.793
  103    H    LYS  14           H        LYS  14  -6.399  -3.319  -2.119
  104    HA   LYS  14           HA       LYS  14  -3.585  -3.732  -1.476
  105    HB2  LYS  14           2HB      LYS  14  -4.888  -2.789  -4.041
  106    HB3  LYS  14           1HB      LYS  14  -3.193  -3.191  -3.830
  107    HG2  LYS  14           2HG      LYS  14  -5.498  -5.113  -3.595
  108    HG3  LYS  14           1HG      LYS  14  -4.415  -4.965  -4.978
  109    HD2  LYS  14           2HD      LYS  14  -2.526  -5.615  -3.552
  110    HD3  LYS  14           1HD      LYS  14  -3.617  -5.752  -2.173
  111    HE2  LYS  14           2HE      LYS  14  -3.169  -7.941  -3.123
  112    HE3  LYS  14           1HE      LYS  14  -4.862  -7.506  -3.330
  113    HZ1  LYS  14           3HZ      LYS  14  -2.769  -7.235  -5.411
  114    HZ2  LYS  14           1HZ      LYS  14  -4.402  -6.925  -5.631
  115    HZ3  LYS  14           2HZ      LYS  14  -3.874  -8.502  -5.345
  116    H    CYS  15           H        CYS  15  -2.142  -1.894  -1.971
  117    HA   CYS  15           HA       CYS  15  -3.252   0.469  -0.766
  118    HB2  CYS  15           2HB      CYS  15  -0.435   0.085  -1.752
  119    HB3  CYS  15           1HB      CYS  15  -1.044   1.162  -0.490
  120    H    CYS  16           H        CYS  16  -4.092   2.000  -1.961
  121    HA   CYS  16           HA       CYS  16  -4.144   2.117  -4.737
  122    HB2  CYS  16           2HB      CYS  16  -4.670   4.263  -2.706
  123    HB3  CYS  16           1HB      CYS  16  -4.975   4.492  -4.422
  124    H    GLU  17           H        GLU  17  -3.344   3.725  -6.220
  125    HA   GLU  17           HA       GLU  17  -1.778   4.705  -7.379
  126    HB2  GLU  17           2HB      GLU  17  -0.954   5.464  -4.686
  127    HB3  GLU  17           1HB      GLU  17   0.157   5.869  -6.010
  128    HG2  GLU  17           2HG      GLU  17  -1.115   7.827  -5.660
  129    HG3  GLU  17           1HG      GLU  17  -1.950   7.046  -6.994
  130    H    GLY  18           H        GLY  18  -1.436   2.007  -5.961
  131    HA2  GLY  18           2HA      GLY  18  -0.050   0.204  -6.353
  132    HA3  GLY  18           1HA      GLY  18   0.877   1.229  -7.444
  133    H    MET  19           H        MET  19   0.172   1.314  -3.990
  134    HA   MET  19           HA       MET  19   2.999   1.868  -3.527
  135    HB2  MET  19           2HB      MET  19   0.643   2.049  -1.631
  136    HB3  MET  19           1HB      MET  19   2.304   2.399  -1.181
  137    HG2  MET  19           2HG      MET  19   2.332   4.202  -2.879
  138    HG3  MET  19           1HG      MET  19   0.630   3.879  -3.197
  139    HE1  MET  19           3HE      MET  19   1.626   6.756  -2.520
  140    HE2  MET  19           1HE      MET  19   0.452   7.280  -1.312
  141    HE3  MET  19           2HE      MET  19  -0.081   6.368  -2.721
  142    H    VAL  20           H        VAL  20   3.995   0.794  -1.600
  143    HA   VAL  20           HA       VAL  20   3.835  -2.018  -2.146
  144    HB   VAL  20           HB       VAL  20   5.584  -0.563  -0.163
  145   HG11  VAL  20          1HG1      VAL  20   5.452  -2.944   0.297
  146   HG12  VAL  20          2HG1      VAL  20   7.052  -2.535  -0.325
  147   HG13  VAL  20          3HG1      VAL  20   5.868  -3.311  -1.377
  148   HG21  VAL  20          3HG2      VAL  20   6.178  -1.329  -3.025
  149   HG22  VAL  20          1HG2      VAL  20   7.346  -0.660  -1.886
  150   HG23  VAL  20          2HG2      VAL  20   5.967   0.308  -2.406
  151    H    CYS  21           H        CYS  21   2.473  -3.254  -1.188
  152    HA   CYS  21           HA       CYS  21   1.272  -2.640   1.347
  153    HB2  CYS  21           2HB      CYS  21  -0.078  -3.749  -0.358
  154    HB3  CYS  21           1HB      CYS  21   1.071  -5.075  -0.452
  155    H    ARG  22           H        ARG  22   2.029  -3.212   3.235
  156    HA   ARG  22           HA       ARG  22   3.709  -5.509   3.733
  157    HB2  ARG  22           2HB      ARG  22   5.016  -3.289   2.819
  158    HB3  ARG  22           1HB      ARG  22   4.868  -2.880   4.520
  159    HG2  ARG  22           2HG      ARG  22   6.999  -3.909   4.145
  160    HG3  ARG  22           1HG      ARG  22   5.998  -5.031   5.074
  161    HD2  ARG  22           2HD      ARG  22   5.441  -6.221   2.971
  162    HD3  ARG  22           1HD      ARG  22   6.485  -5.109   2.094
  163    HE   ARG  22           HE       ARG  22   7.853  -6.378   4.212
  164   HH11  ARG  22          1HH1      ARG  22   6.733  -6.894   0.887
  165   HH12  ARG  22          2HH1      ARG  22   7.838  -8.135   0.544
  166   HH21  ARG  22          1HH2      ARG  22   9.368  -8.079   3.748
  167   HH22  ARG  22          2HH2      ARG  22   9.386  -8.826   2.212
  168    H    LEU  23           H        LEU  23   4.603  -4.068   6.200
  169    HA   LEU  23           HA       LEU  23   2.365  -4.443   7.878
  170    HB2  LEU  23           2HB      LEU  23   4.777  -2.653   8.330
  171    HB3  LEU  23           1HB      LEU  23   3.549  -2.921   9.537
  172    HG   LEU  23           HG       LEU  23   4.188  -5.356   9.530
  173   HD11  LEU  23          1HD1      LEU  23   6.359  -5.977   8.634
  174   HD12  LEU  23          2HD1      LEU  23   6.513  -4.379   7.899
  175   HD13  LEU  23          3HD1      LEU  23   5.246  -5.480   7.359
  176   HD21  LEU  23          3HD2      LEU  23   4.952  -3.843  11.258
  177   HD22  LEU  23          1HD2      LEU  23   6.320  -3.359  10.254
  178   HD23  LEU  23          2HD2      LEU  23   6.210  -5.011  10.858
  179    H    TRP  24           H        TRP  24   3.702  -1.609   6.383
  180    HA   TRP  24           HA       TRP  24   1.066  -0.382   6.389
  181    HB2  TRP  24           2HB      TRP  24   3.700   0.895   7.093
  182    HB3  TRP  24           1HB      TRP  24   2.404   1.864   6.423
  183    HD1  TRP  24           HD       TRP  24   0.170   2.075   7.949
  184    HE1  TRP  24           1HE      TRP  24  -0.110   1.988  10.510
  185    HE3  TRP  24           3HE      TRP  24   4.575  -0.105   9.088
  186    HZ2  TRP  24           2HZ      TRP  24   1.412   1.084  12.749
  187    HZ3  TRP  24           3HZ      TRP  24   5.130  -0.562  11.467
  188    HH2  TRP  24           HH       TRP  24   3.569   0.032  13.245
  189    H    CYS  25           H        CYS  25   0.571   0.553   4.503
  190    HA   CYS  25           HA       CYS  25   2.077  -0.026   2.136
  191    HB2  CYS  25           2HB      CYS  25  -0.122   2.004   2.572
  192    HB3  CYS  25           1HB      CYS  25   0.452   1.404   1.025
  193    H    LYS  26           H        LYS  26   3.645   1.223   1.269
  194    HA   LYS  26           HA       LYS  26   3.604   4.047   1.868
  195    HB2  LYS  26           2HB      LYS  26   6.107   2.383   2.189
  196    HB3  LYS  26           1HB      LYS  26   6.083   4.138   2.159
  197    HG2  LYS  26           2HG      LYS  26   4.475   3.864   4.202
  198    HG3  LYS  26           1HG      LYS  26   5.170   2.248   4.293
  199    HD2  LYS  26           2HD      LYS  26   6.637   4.884   4.450
  200    HD3  LYS  26           1HD      LYS  26   6.412   3.715   5.745
  201    HE2  LYS  26           2HE      LYS  26   7.948   3.251   3.208
  202    HE3  LYS  26           1HE      LYS  26   8.678   3.662   4.756
  203    HZ1  LYS  26           3HZ      LYS  26   7.127   1.188   4.163
  204    HZ2  LYS  26           1HZ      LYS  26   7.799   1.564   5.663
  205    HZ3  LYS  26           2HZ      LYS  26   8.772   1.264   4.322
  206    H    LYS  27           H        LYS  27   4.981   5.242   0.393
  207    HA   LYS  27           HA       LYS  27   4.820   4.010  -2.238
  208    HB2  LYS  27           2HB      LYS  27   4.997   6.363  -3.056
  209    HB3  LYS  27           1HB      LYS  27   3.590   6.067  -2.048
  210    HG2  LYS  27           2HG      LYS  27   4.761   7.101  -0.147
  211    HG3  LYS  27           1HG      LYS  27   6.137   7.437  -1.203
  212    HD2  LYS  27           2HD      LYS  27   4.714   8.807  -2.629
  213    HD3  LYS  27           1HD      LYS  27   3.326   8.448  -1.603
  214    HE2  LYS  27           2HE      LYS  27   4.426   9.543   0.284
  215    HE3  LYS  27           1HE      LYS  27   5.827   9.886  -0.732
  216    HZ1  LYS  27           3HZ      LYS  27   4.457  11.270  -2.126
  217    HZ2  LYS  27           1HZ      LYS  27   4.321  11.779  -0.518
  218    HZ3  LYS  27           2HZ      LYS  27   3.084  10.885  -1.235
  219    H    LYS  28           H        LYS  28   6.655   5.169  -3.711
  220    HA   LYS  28           HA       LYS  28   9.087   4.292  -2.391
  221    HB2  LYS  28           2HB      LYS  28   8.585   4.843  -5.310
  222    HB3  LYS  28           1HB      LYS  28  10.033   4.126  -4.599
  223    HG2  LYS  28           2HG      LYS  28   8.789   2.185  -3.880
  224    HG3  LYS  28           1HG      LYS  28   7.281   2.906  -4.434
  225    HD2  LYS  28           2HD      LYS  28   8.124   2.846  -6.741
  226    HD3  LYS  28           1HD      LYS  28   9.613   2.090  -6.166
  227    HE2  LYS  28           2HE      LYS  28   8.294   0.205  -5.284
  228    HE3  LYS  28           1HE      LYS  28   6.827   0.964  -5.884
  229    HZ1  LYS  28           3HZ      LYS  28   9.087   0.027  -7.572
  230    HZ2  LYS  28           1HZ      LYS  28   7.666   0.737  -8.133
  231    HZ3  LYS  28           2HZ      LYS  28   7.605  -0.750  -7.369
  232    H    LEU  29           H        LEU  29   9.347   6.051  -1.186
  233    HA   LEU  29           HA       LEU  29   9.939   8.617  -2.498
  234    HB2  LEU  29           2HB      LEU  29   8.322   8.425  -0.526
  235    HB3  LEU  29           1HB      LEU  29   9.690   8.001   0.467
  236    HG   LEU  29           HG       LEU  29   9.459  10.673  -0.942
  237   HD11  LEU  29          1HD1      LEU  29   8.688  11.561   1.198
  238   HD12  LEU  29          2HD1      LEU  29   8.613   9.921   1.847
  239   HD13  LEU  29          3HD1      LEU  29   7.551  10.396   0.523
  240   HD21  LEU  29          3HD2      LEU  29  11.062  11.402   0.753
  241   HD22  LEU  29          1HD2      LEU  29  11.713  10.058  -0.185
  242   HD23  LEU  29          2HD2      LEU  29  11.089   9.776   1.441
  243    H    TRP  30           H        TRP  30  11.246   6.083  -0.508
  244    HA   TRP  30           HA       TRP  30  13.934   6.924  -1.252
  245    HB2  TRP  30           2HB      TRP  30  14.776   6.130   0.995
  246    HB3  TRP  30           1HB      TRP  30  13.775   7.564   1.074
  247    HD1  TRP  30           HD       TRP  30  11.696   7.474   2.534
  248    HE1  TRP  30           1HE      TRP  30  10.657   5.731   4.140
  249    HE3  TRP  30           3HE      TRP  30  14.481   3.399   1.229
  250    HZ2  TRP  30           2HZ      TRP  30  10.989   2.999   4.758
  251    HZ3  TRP  30           3HZ      TRP  30  14.055   1.261   2.376
  252    HH2  TRP  30           HH       TRP  30  12.351   1.075   4.097
  Start of MODEL   19
    1    H1   TYR   1           H        TYR   1 -10.053   2.953   2.885
    2    HA   TYR   1           HA       TYR   1 -11.993   2.941   1.179
    3    HB2  TYR   1           2HB      TYR   1 -11.124   5.843   1.133
    4    HB3  TYR   1           1HB      TYR   1 -12.390   5.104   0.169
    5    HD1  TYR   1           2HD      TYR   1 -14.571   4.550   1.219
    6    HD2  TYR   1           1HD      TYR   1 -11.514   6.574   3.371
    7    HE1  TYR   1           2HE      TYR   1 -16.214   5.252   2.891
    8    HE2  TYR   1           1HE      TYR   1 -13.142   7.282   5.044
    9    HH   TYR   1           HH       TYR   1 -15.553   7.644   5.205
   10    H    CYS   2           H        CYS   2  -9.182   4.959   1.489
   11    HA   CYS   2           HA       CYS   2  -7.757   3.488  -0.542
   12    HB2  CYS   2           2HB      CYS   2  -8.754   5.274  -1.813
   13    HB3  CYS   2           1HB      CYS   2  -8.261   6.458  -0.595
   14    H    GLN   3           H        GLN   3  -5.626   3.780  -0.310
   15    HA   GLN   3           HA       GLN   3  -4.834   4.271   2.460
   16    HB2  GLN   3           2HB      GLN   3  -3.463   2.864   0.150
   17    HB3  GLN   3           1HB      GLN   3  -2.654   3.231   1.663
   18    HG2  GLN   3           2HG      GLN   3  -3.604   0.860   1.274
   19    HG3  GLN   3           1HG      GLN   3  -3.819   1.573   2.848
   20   HE21  GLN   3          1HE2      GLN   3  -5.827   2.084   3.497
   21   HE22  GLN   3          2HE2      GLN   3  -7.276   1.574   2.731
   22    H    LYS   4           H        LYS   4  -4.306   6.359   2.849
   23    HA   LYS   4           HA       LYS   4  -2.901   7.896   0.774
   24    HB2  LYS   4           2HB      LYS   4  -3.948   8.684   3.508
   25    HB3  LYS   4           1HB      LYS   4  -3.048   9.759   2.464
   26    HG2  LYS   4           2HG      LYS   4  -5.363  10.307   2.366
   27    HG3  LYS   4           1HG      LYS   4  -4.892   9.617   0.817
   28    HD2  LYS   4           2HD      LYS   4  -5.952   7.530   1.400
   29    HD3  LYS   4           1HD      LYS   4  -6.289   8.118   3.026
   30    HE2  LYS   4           2HE      LYS   4  -8.265   8.218   1.595
   31    HE3  LYS   4           1HE      LYS   4  -7.763   9.813   2.143
   32    HZ1  LYS   4           3HZ      LYS   4  -8.378   9.800  -0.213
   33    HZ2  LYS   4           1HZ      LYS   4  -7.161   8.690  -0.561
   34    HZ3  LYS   4           2HZ      LYS   4  -6.766  10.219  -0.012
   35    H    TRP   5           H        TRP   5  -0.825   7.606   0.724
   36    HA   TRP   5           HA       TRP   5   1.256   6.841   1.312
   37    HB2  TRP   5           2HB      TRP   5   1.202   9.221   2.190
   38    HB3  TRP   5           1HB      TRP   5   0.766   8.573   3.763
   39    HD1  TRP   5           HD       TRP   5   3.440   6.782   1.679
   40    HE1  TRP   5           1HE      TRP   5   5.713   7.042   2.853
   41    HE3  TRP   5           3HE      TRP   5   2.103  10.098   5.302
   42    HZ2  TRP   5           2HZ      TRP   5   6.795   8.450   5.016
   43    HZ3  TRP   5           3HZ      TRP   5   3.827  10.855   6.899
   44    HH2  TRP   5           HH       TRP   5   6.119  10.047   6.752
   45    H    MET   6           H        MET   6   1.819   6.667   4.378
   46    HA   MET   6           HA       MET   6   1.651   3.863   4.417
   47    HB2  MET   6           2HB      MET   6   2.535   4.004   6.732
   48    HB3  MET   6           1HB      MET   6   3.482   4.884   5.545
   49    HG2  MET   6           2HG      MET   6   2.484   6.973   6.322
   50    HG3  MET   6           1HG      MET   6   1.528   6.071   7.500
   51    HE1  MET   6           3HE      MET   6   3.386   8.517   8.279
   52    HE2  MET   6           1HE      MET   6   4.155   7.891   9.737
   53    HE3  MET   6           2HE      MET   6   2.440   7.593   9.447
   54    H    TRP   7           H        TRP   7  -0.129   2.909   4.391
   55    HA   TRP   7           HA       TRP   7  -1.874   3.022   6.758
   56    HB2  TRP   7           2HB      TRP   7  -2.763   3.055   3.866
   57    HB3  TRP   7           1HB      TRP   7  -3.791   2.356   5.102
   58    HD1  TRP   7           HD       TRP   7  -1.879   5.703   5.340
   59    HE1  TRP   7           1HE      TRP   7  -3.582   7.608   5.616
   60    HE3  TRP   7           3HE      TRP   7  -6.154   3.003   4.936
   61    HZ2  TRP   7           2HZ      TRP   7  -6.365   7.921   5.666
   62    HZ3  TRP   7           3HZ      TRP   7  -8.324   4.183   5.102
   63    HH2  TRP   7           HH       TRP   7  -8.406   6.603   5.460
   64    H    THR   8           H        THR   8  -3.229   0.899   6.808
   65    HA   THR   8           HA       THR   8  -1.339  -1.201   6.368
   66    HB   THR   8           HB       THR   8  -3.124  -2.518   7.600
   67    HG1  THR   8           1HG      THR   8  -4.729  -1.403   8.560
   68   HG21  THR   8          3HG2      THR   8  -1.097  -1.664   8.675
   69   HG22  THR   8          1HG2      THR   8  -2.480  -1.564   9.764
   70   HG23  THR   8          2HG2      THR   8  -1.891  -0.114   8.949
   71    H    CYS   9           H        CYS   9  -1.633  -2.972   5.060
   72    HA   CYS   9           HA       CYS   9  -3.821  -2.757   3.149
   73    HB2  CYS   9           2HB      CYS   9  -2.350  -4.141   1.684
   74    HB3  CYS   9           1HB      CYS   9  -1.702  -2.552   2.074
   75    H    ASP  10           H        ASP  10  -4.263  -4.998   2.153
   76    HA   ASP  10           HA       ASP  10  -4.039  -7.252   3.939
   77    HB2  ASP  10           2HB      ASP  10  -6.733  -6.168   2.965
   78    HB3  ASP  10           1HB      ASP  10  -6.475  -7.771   3.617
   79    H    SER  11           H        SER  11  -5.636  -8.964   2.424
   80    HA   SER  11           HA       SER  11  -4.096  -9.153   0.044
   81    HB2  SER  11           2HB      SER  11  -4.813 -11.172   1.240
   82    HB3  SER  11           1HB      SER  11  -6.503 -10.745   0.996
   83    HG   SER  11           HG       SER  11  -6.404 -11.318  -0.995
   84    H    GLU  12           H        GLU  12  -7.485  -8.413   0.769
   85    HA   GLU  12           HA       GLU  12  -7.963  -7.721  -2.003
   86    HB2  GLU  12           2HB      GLU  12  -9.790  -7.617   0.399
   87    HB3  GLU  12           1HB      GLU  12 -10.271  -7.058  -1.191
   88    HG2  GLU  12           2HG      GLU  12 -11.166  -9.233  -0.839
   89    HG3  GLU  12           1HG      GLU  12  -9.890  -9.357  -2.043
   90    H    ARG  13           H        ARG  13  -7.236  -6.169   0.963
   91    HA   ARG  13           HA       ARG  13  -7.872  -3.540  -0.021
   92    HB2  ARG  13           2HB      ARG  13  -7.943  -4.013   2.418
   93    HB3  ARG  13           1HB      ARG  13  -6.206  -4.311   2.378
   94    HG2  ARG  13           2HG      ARG  13  -6.090  -2.154   2.991
   95    HG3  ARG  13           1HG      ARG  13  -6.240  -1.904   1.267
   96    HD2  ARG  13           2HD      ARG  13  -8.450  -1.747   3.303
   97    HD3  ARG  13           1HD      ARG  13  -7.738  -0.423   2.394
   98    HE   ARG  13           HE       ARG  13  -9.435  -2.548   1.299
   99   HH11  ARG  13          1HH1      ARG  13  -7.899   0.562   0.736
  100   HH12  ARG  13          2HH1      ARG  13  -9.183   1.205  -0.195
  101   HH21  ARG  13          1HH2      ARG  13 -11.153  -1.737  -0.046
  102   HH22  ARG  13          2HH2      ARG  13 -11.102  -0.149  -0.668
  103    H    LYS  14           H        LYS  14  -6.738  -3.089  -1.724
  104    HA   LYS  14           HA       LYS  14  -3.849  -3.459  -1.701
  105    HB2  LYS  14           2HB      LYS  14  -4.026  -2.835  -4.140
  106    HB3  LYS  14           1HB      LYS  14  -4.794  -4.350  -3.696
  107    HG2  LYS  14           2HG      LYS  14  -6.979  -3.250  -3.693
  108    HG3  LYS  14           1HG      LYS  14  -6.208  -1.722  -4.118
  109    HD2  LYS  14           2HD      LYS  14  -6.048  -4.218  -5.783
  110    HD3  LYS  14           1HD      LYS  14  -7.251  -2.956  -6.040
  111    HE2  LYS  14           2HE      LYS  14  -4.257  -2.623  -6.177
  112    HE3  LYS  14           1HE      LYS  14  -5.338  -2.716  -7.557
  113    HZ1  LYS  14           3HZ      LYS  14  -4.825  -0.409  -7.079
  114    HZ2  LYS  14           1HZ      LYS  14  -5.384  -0.562  -5.491
  115    HZ3  LYS  14           2HZ      LYS  14  -6.440  -0.712  -6.785
  116    H    CYS  15           H        CYS  15  -2.482  -1.736  -1.976
  117    HA   CYS  15           HA       CYS  15  -3.635   0.695  -0.952
  118    HB2  CYS  15           2HB      CYS  15  -0.762  -0.147  -1.253
  119    HB3  CYS  15           1HB      CYS  15  -1.322   1.296  -0.405
  120    H    CYS  16           H        CYS  16  -3.914   2.430  -1.992
  121    HA   CYS  16           HA       CYS  16  -4.004   2.731  -4.695
  122    HB2  CYS  16           2HB      CYS  16  -3.603   4.905  -2.652
  123    HB3  CYS  16           1HB      CYS  16  -4.358   5.072  -4.233
  124    H    GLU  17           H        GLU  17  -2.809   4.031  -6.150
  125    HA   GLU  17           HA       GLU  17  -1.040   4.774  -7.271
  126    HB2  GLU  17           2HB      GLU  17  -0.159   5.192  -4.522
  127    HB3  GLU  17           1HB      GLU  17   0.931   5.629  -5.854
  128    HG2  GLU  17           2HG      GLU  17  -1.822   6.710  -5.188
  129    HG3  GLU  17           1HG      GLU  17  -0.295   7.581  -5.058
  130    H    GLY  18           H        GLY  18  -1.107   1.977  -5.913
  131    HA2  GLY  18           2HA      GLY  18   0.112   0.045  -6.297
  132    HA3  GLY  18           1HA      GLY  18   1.172   0.987  -7.338
  133    H    MET  19           H        MET  19   0.335   1.034  -3.932
  134    HA   MET  19           HA       MET  19   3.156   1.408  -3.264
  135    HB2  MET  19           2HB      MET  19   0.671   1.466  -1.543
  136    HB3  MET  19           1HB      MET  19   2.293   1.729  -0.928
  137    HG2  MET  19           2HG      MET  19   2.488   3.709  -2.368
  138    HG3  MET  19           1HG      MET  19   0.849   3.424  -2.946
  139    HE1  MET  19           3HE      MET  19   1.755   6.205  -1.776
  140    HE2  MET  19           1HE      MET  19   0.376   6.595  -0.748
  141    HE3  MET  19           2HE      MET  19   0.115   5.855  -2.326
  142    H    VAL  20           H        VAL  20   4.174   0.054  -1.692
  143    HA   VAL  20           HA       VAL  20   3.660  -2.713  -2.294
  144    HB   VAL  20           HB       VAL  20   5.742  -1.522  -0.435
  145   HG11  VAL  20          1HG1      VAL  20   6.970  -3.615  -0.775
  146   HG12  VAL  20          2HG1      VAL  20   5.643  -4.231  -1.760
  147   HG13  VAL  20          3HG1      VAL  20   5.389  -3.905  -0.045
  148   HG21  VAL  20          3HG2      VAL  20   7.301  -1.741  -2.323
  149   HG22  VAL  20          1HG2      VAL  20   5.991  -0.614  -2.678
  150   HG23  VAL  20          2HG2      VAL  20   5.961  -2.243  -3.354
  151    H    CYS  21           H        CYS  21   2.735  -4.198  -1.014
  152    HA   CYS  21           HA       CYS  21   1.362  -3.329   1.363
  153    HB2  CYS  21           2HB      CYS  21   0.439  -4.995  -0.356
  154    HB3  CYS  21           1HB      CYS  21   1.695  -6.066   0.280
  155    H    ARG  22           H        ARG  22   2.166  -3.474   3.325
  156    HA   ARG  22           HA       ARG  22   4.093  -5.432   4.157
  157    HB2  ARG  22           2HB      ARG  22   4.516  -2.590   3.652
  158    HB3  ARG  22           1HB      ARG  22   5.315  -3.211   5.102
  159    HG2  ARG  22           2HG      ARG  22   5.661  -3.986   2.217
  160    HG3  ARG  22           1HG      ARG  22   6.846  -3.113   3.198
  161    HD2  ARG  22           2HD      ARG  22   6.949  -5.163   4.661
  162    HD3  ARG  22           1HD      ARG  22   5.957  -5.985   3.459
  163    HE   ARG  22           HE       ARG  22   8.309  -4.761   2.387
  164   HH11  ARG  22          1HH1      ARG  22   6.960  -7.709   3.766
  165   HH12  ARG  22          2HH1      ARG  22   8.235  -8.721   3.270
  166   HH21  ARG  22          1HH2      ARG  22  10.104  -6.155   1.695
  167   HH22  ARG  22          2HH2      ARG  22  10.072  -7.799   2.078
  168    H    LEU  23           H        LEU  23   4.654  -3.900   6.505
  169    HA   LEU  23           HA       LEU  23   2.305  -4.139   8.064
  170    HB2  LEU  23           2HB      LEU  23   4.728  -2.389   8.549
  171    HB3  LEU  23           1HB      LEU  23   3.482  -2.707   9.734
  172    HG   LEU  23           HG       LEU  23   5.358  -4.766   8.568
  173   HD11  LEU  23          1HD1      LEU  23   5.269  -3.470  11.283
  174   HD12  LEU  23          2HD1      LEU  23   6.485  -3.195  10.036
  175   HD13  LEU  23          3HD1      LEU  23   6.342  -4.780  10.796
  176   HD21  LEU  23          3HD2      LEU  23   4.442  -6.232  10.325
  177   HD22  LEU  23          1HD2      LEU  23   3.205  -5.749   9.163
  178   HD23  LEU  23          2HD2      LEU  23   3.277  -4.980  10.746
  179    H    TRP  24           H        TRP  24   3.805  -1.455   6.382
  180    HA   TRP  24           HA       TRP  24   1.218  -0.182   6.151
  181    HB2  TRP  24           2HB      TRP  24   3.774   1.131   7.045
  182    HB3  TRP  24           1HB      TRP  24   2.534   2.054   6.221
  183    HD1  TRP  24           HD       TRP  24   0.183   2.303   7.509
  184    HE1  TRP  24           1HE      TRP  24  -0.356   2.291  10.033
  185    HE3  TRP  24           3HE      TRP  24   4.455   0.198   9.146
  186    HZ2  TRP  24           2HZ      TRP  24   0.941   1.491  12.437
  187    HZ3  TRP  24           3HZ      TRP  24   4.783  -0.168  11.586
  188    HH2  TRP  24           HH       TRP  24   3.057   0.472  13.179
  189    H    CYS  25           H        CYS  25   0.838   0.508   4.182
  190    HA   CYS  25           HA       CYS  25   2.762  -0.025   2.112
  191    HB2  CYS  25           2HB      CYS  25   0.028   1.232   2.036
  192    HB3  CYS  25           1HB      CYS  25   1.022   0.918   0.621
  193    H    LYS  26           H        LYS  26   4.208   1.306   1.562
  194    HA   LYS  26           HA       LYS  26   3.702   4.182   1.724
  195    HB2  LYS  26           2HB      LYS  26   6.269   2.632   2.127
  196    HB3  LYS  26           1HB      LYS  26   6.205   4.370   1.884
  197    HG2  LYS  26           2HG      LYS  26   5.022   4.684   3.918
  198    HG3  LYS  26           1HG      LYS  26   4.796   2.955   4.123
  199    HD2  LYS  26           2HD      LYS  26   6.600   3.837   5.567
  200    HD3  LYS  26           1HD      LYS  26   7.177   2.634   4.416
  201    HE2  LYS  26           2HE      LYS  26   8.046   4.415   2.974
  202    HE3  LYS  26           1HE      LYS  26   7.424   5.629   4.092
  203    HZ1  LYS  26           3HZ      LYS  26   9.425   3.577   4.841
  204    HZ2  LYS  26           1HZ      LYS  26   8.934   4.896   5.748
  205    HZ3  LYS  26           2HZ      LYS  26   9.844   5.127   4.345
  206    H    LYS  27           H        LYS  27   5.049   5.293   0.006
  207    HA   LYS  27           HA       LYS  27   4.447   3.958  -2.432
  208    HB2  LYS  27           2HB      LYS  27   5.267   5.965  -3.559
  209    HB3  LYS  27           1HB      LYS  27   4.120   6.348  -2.284
  210    HG2  LYS  27           2HG      LYS  27   5.885   7.103  -0.842
  211    HG3  LYS  27           1HG      LYS  27   7.112   6.550  -1.983
  212    HD2  LYS  27           2HD      LYS  27   6.827   8.951  -2.179
  213    HD3  LYS  27           1HD      LYS  27   6.263   8.150  -3.643
  214    HE2  LYS  27           2HE      LYS  27   3.933   8.306  -2.757
  215    HE3  LYS  27           1HE      LYS  27   4.562   9.230  -1.399
  216    HZ1  LYS  27           3HZ      LYS  27   5.365  10.887  -2.975
  217    HZ2  LYS  27           1HZ      LYS  27   3.707  10.689  -3.101
  218    HZ3  LYS  27           2HZ      LYS  27   4.706  10.014  -4.258
  219    H    LYS  28           H        LYS  28   5.956   3.712  -4.151
  220    HA   LYS  28           HA       LYS  28   8.323   2.354  -3.240
  221    HB2  LYS  28           2HB      LYS  28   6.907   1.457  -5.023
  222    HB3  LYS  28           1HB      LYS  28   7.257   2.882  -6.000
  223    HG2  LYS  28           2HG      LYS  28   9.608   2.223  -6.087
  224    HG3  LYS  28           1HG      LYS  28   9.239   0.791  -5.128
  225    HD2  LYS  28           2HD      LYS  28   7.681   0.042  -6.869
  226    HD3  LYS  28           1HD      LYS  28   8.097   1.459  -7.834
  227    HE2  LYS  28           2HE      LYS  28  10.435   0.694  -7.903
  228    HE3  LYS  28           1HE      LYS  28   9.977  -0.738  -6.984
  229    HZ1  LYS  28           3HZ      LYS  28  10.069  -1.212  -9.344
  230    HZ2  LYS  28           1HZ      LYS  28   8.937  -0.016  -9.668
  231    HZ3  LYS  28           2HZ      LYS  28   8.500  -1.374  -8.790
  232    H    LEU  29           H        LEU  29  10.238   3.221  -3.173
  233    HA   LEU  29           HA       LEU  29  10.585   5.898  -4.304
  234    HB2  LEU  29           2HB      LEU  29  12.014   4.585  -2.018
  235    HB3  LEU  29           1HB      LEU  29  12.677   5.982  -2.826
  236    HG   LEU  29           HG       LEU  29  10.529   7.193  -2.202
  237   HD11  LEU  29          1HD1      LEU  29   9.306   6.364  -0.294
  238   HD12  LEU  29          2HD1      LEU  29  10.240   4.870  -0.337
  239   HD13  LEU  29          3HD1      LEU  29   9.161   5.271  -1.674
  240   HD21  LEU  29          3HD2      LEU  29  11.327   7.659   0.058
  241   HD22  LEU  29          1HD2      LEU  29  12.641   7.623  -1.117
  242   HD23  LEU  29          2HD2      LEU  29  12.387   6.255  -0.035
  243    H    TRP  30           H        TRP  30  12.296   2.825  -4.067
  244    HA   TRP  30           HA       TRP  30  14.254   3.848  -5.977
  245    HB2  TRP  30           2HB      TRP  30  15.141   2.662  -4.025
  246    HB3  TRP  30           1HB      TRP  30  14.193   1.240  -4.443
  247    HD1  TRP  30           HD       TRP  30  15.440  -0.529  -5.791
  248    HE1  TRP  30           1HE      TRP  30  17.612  -0.596  -7.217
  249    HE3  TRP  30           3HE      TRP  30  16.670   4.422  -5.654
  250    HZ2  TRP  30           2HZ      TRP  30  19.557   1.211  -8.145
  251    HZ3  TRP  30           3HZ      TRP  30  18.690   5.174  -6.833
  252    HH2  TRP  30           HH       TRP  30  20.102   3.598  -8.051
  Start of MODEL   20
    1    H1   TYR   1           H        TYR   1  -9.179   4.763   3.400
    2    HA   TYR   1           HA       TYR   1 -10.410   2.423   3.287
    3    HB2  TYR   1           2HB      TYR   1 -11.743   4.218   1.240
    4    HB3  TYR   1           1HB      TYR   1 -12.011   2.488   1.443
    5    HD1  TYR   1           1HD      TYR   1 -12.922   1.716   3.720
    6    HD2  TYR   1           2HD      TYR   1 -13.088   5.739   2.384
    7    HE1  TYR   1           1HE      TYR   1 -14.696   2.169   5.337
    8    HE2  TYR   1           2HE      TYR   1 -14.866   6.210   3.998
    9    HH   TYR   1           HH       TYR   1 -16.600   4.927   5.236
   10    H    CYS   2           H        CYS   2  -9.209   5.056   1.448
   11    HA   CYS   2           HA       CYS   2  -7.652   3.284  -0.256
   12    HB2  CYS   2           2HB      CYS   2  -8.724   5.107  -1.379
   13    HB3  CYS   2           1HB      CYS   2  -8.064   6.260  -0.206
   14    H    GLN   3           H        GLN   3  -5.485   3.434  -0.221
   15    HA   GLN   3           HA       GLN   3  -4.471   3.930   2.455
   16    HB2  GLN   3           2HB      GLN   3  -3.175   2.491   0.118
   17    HB3  GLN   3           1HB      GLN   3  -2.372   2.810   1.642
   18    HG2  GLN   3           2HG      GLN   3  -3.225   0.484   1.430
   19    HG3  GLN   3           1HG      GLN   3  -3.838   1.349   2.829
   20   HE21  GLN   3          1HE2      GLN   3  -5.968   1.753   2.991
   21   HE22  GLN   3          2HE2      GLN   3  -7.157   1.180   1.886
   22    H    LYS   4           H        LYS   4  -4.283   6.063   2.544
   23    HA   LYS   4           HA       LYS   4  -2.717   7.475   0.538
   24    HB2  LYS   4           2HB      LYS   4  -4.250   8.353   2.957
   25    HB3  LYS   4           1HB      LYS   4  -3.327   9.456   1.937
   26    HG2  LYS   4           2HG      LYS   4  -4.757   8.880   0.042
   27    HG3  LYS   4           1HG      LYS   4  -5.655   7.759   1.075
   28    HD2  LYS   4           2HD      LYS   4  -5.274  10.608   1.735
   29    HD3  LYS   4           1HD      LYS   4  -6.639  10.082   0.729
   30    HE2  LYS   4           2HE      LYS   4  -7.383   8.600   2.568
   31    HE3  LYS   4           1HE      LYS   4  -6.026   9.122   3.555
   32    HZ1  LYS   4           3HZ      LYS   4  -8.211  10.893   2.592
   33    HZ2  LYS   4           1HZ      LYS   4  -6.935  11.336   3.599
   34    HZ3  LYS   4           2HZ      LYS   4  -8.079  10.243   4.146
   35    H    TRP   5           H        TRP   5  -0.746   7.487   0.778
   36    HA   TRP   5           HA       TRP   5   1.364   6.927   1.575
   37    HB2  TRP   5           2HB      TRP   5   0.574   9.255   2.732
   38    HB3  TRP   5           1HB      TRP   5   0.894   8.287   4.169
   39    HD1  TRP   5           HD       TRP   5   3.542   6.899   3.804
   40    HE1  TRP   5           1HE      TRP   5   5.713   8.116   3.181
   41    HE3  TRP   5           3HE      TRP   5   1.535  11.143   1.787
   42    HZ2  TRP   5           2HZ      TRP   5   6.477  10.557   1.982
   43    HZ3  TRP   5           3HZ      TRP   5   3.049  12.869   0.925
   44    HH2  TRP   5           HH       TRP   5   5.462  12.584   1.023
   45    H    MET   6           H        MET   6   1.742   6.803   4.650
   46    HA   MET   6           HA       MET   6   1.705   3.989   4.779
   47    HB2  MET   6           2HB      MET   6   2.419   4.186   7.124
   48    HB3  MET   6           1HB      MET   6   3.353   5.222   6.062
   49    HG2  MET   6           2HG      MET   6   2.029   7.143   6.820
   50    HG3  MET   6           1HG      MET   6   1.121   6.080   7.887
   51    HE1  MET   6           3HE      MET   6   2.580   8.720   8.878
   52    HE2  MET   6           1HE      MET   6   3.303   8.151  10.383
   53    HE3  MET   6           2HE      MET   6   1.672   7.646   9.943
   54    H    TRP   7           H        TRP   7   0.028   2.883   4.652
   55    HA   TRP   7           HA       TRP   7  -2.009   2.992   6.766
   56    HB2  TRP   7           2HB      TRP   7  -2.483   2.991   3.800
   57    HB3  TRP   7           1HB      TRP   7  -3.612   2.169   4.859
   58    HD1  TRP   7           HD       TRP   7  -2.003   5.684   5.125
   59    HE1  TRP   7           1HE      TRP   7  -3.881   7.388   5.422
   60    HE3  TRP   7           3HE      TRP   7  -5.927   2.521   4.858
   61    HZ2  TRP   7           2HZ      TRP   7  -6.688   7.396   5.519
   62    HZ3  TRP   7           3HZ      TRP   7  -8.217   3.448   5.058
   63    HH2  TRP   7           HH       TRP   7  -8.555   5.865   5.377
   64    H    THR   8           H        THR   8  -3.352   0.836   6.558
   65    HA   THR   8           HA       THR   8  -1.369  -1.252   6.348
   66    HB   THR   8           HB       THR   8  -3.230  -2.592   7.443
   67    HG1  THR   8           1HG      THR   8  -4.338  -0.062   8.043
   68   HG21  THR   8          3HG2      THR   8  -2.848  -1.592   9.664
   69   HG22  THR   8          1HG2      THR   8  -2.219  -0.137   8.891
   70   HG23  THR   8          2HG2      THR   8  -1.355  -1.665   8.727
   71    H    CYS   9           H        CYS   9  -1.951  -3.253   5.227
   72    HA   CYS   9           HA       CYS   9  -3.877  -2.808   3.078
   73    HB2  CYS   9           2HB      CYS   9  -2.287  -4.198   1.678
   74    HB3  CYS   9           1HB      CYS   9  -1.756  -2.563   2.062
   75    H    ASP  10           H        ASP  10  -4.742  -4.781   2.189
   76    HA   ASP  10           HA       ASP  10  -4.573  -7.022   4.030
   77    HB2  ASP  10           2HB      ASP  10  -7.142  -5.791   2.988
   78    HB3  ASP  10           1HB      ASP  10  -7.049  -7.431   3.601
   79    H    SER  11           H        SER  11  -6.081  -8.829   2.813
   80    HA   SER  11           HA       SER  11  -4.582  -9.568   0.583
   81    HB2  SER  11           2HB      SER  11  -6.473 -11.285   0.390
   82    HB3  SER  11           1HB      SER  11  -5.569 -11.254   1.904
   83    HG   SER  11           HG       SER  11  -7.902 -11.333   2.050
   84    H    GLU  12           H        GLU  12  -7.846  -8.278   0.904
   85    HA   GLU  12           HA       GLU  12  -8.123  -7.997  -1.960
   86    HB2  GLU  12           2HB      GLU  12  -9.960  -7.343   0.323
   87    HB3  GLU  12           1HB      GLU  12 -10.389  -7.145  -1.365
   88    HG2  GLU  12           2HG      GLU  12  -9.679  -9.741   0.006
   89    HG3  GLU  12           1HG      GLU  12 -11.298  -9.218  -0.458
   90    H    ARG  13           H        ARG  13  -7.330  -6.096   0.785
   91    HA   ARG  13           HA       ARG  13  -7.917  -3.592  -0.533
   92    HB2  ARG  13           2HB      ARG  13  -8.250  -3.925   1.930
   93    HB3  ARG  13           1HB      ARG  13  -6.506  -4.042   2.087
   94    HG2  ARG  13           2HG      ARG  13  -7.180  -1.827   2.689
   95    HG3  ARG  13           1HG      ARG  13  -6.292  -1.774   1.171
   96    HD2  ARG  13           2HD      ARG  13  -8.299  -0.331   1.172
   97    HD3  ARG  13           1HD      ARG  13  -8.335  -1.558  -0.088
   98    HE   ARG  13           HE       ARG  13  -9.663  -2.754   1.916
   99   HH11  ARG  13          1HH1      ARG  13 -10.078   0.456   0.496
  100   HH12  ARG  13          2HH1      ARG  13 -11.762   0.482   0.738
  101   HH21  ARG  13          1HH2      ARG  13 -11.879  -2.696   2.296
  102   HH22  ARG  13          2HH2      ARG  13 -12.828  -1.344   1.860
  103    H    LYS  14           H        LYS  14  -6.563  -2.896  -1.990
  104    HA   LYS  14           HA       LYS  14  -3.749  -3.453  -1.603
  105    HB2  LYS  14           2HB      LYS  14  -3.590  -3.077  -4.174
  106    HB3  LYS  14           1HB      LYS  14  -4.165  -4.602  -3.525
  107    HG2  LYS  14           2HG      LYS  14  -5.545  -4.088  -5.369
  108    HG3  LYS  14           1HG      LYS  14  -6.493  -3.793  -3.919
  109    HD2  LYS  14           2HD      LYS  14  -6.930  -2.042  -5.509
  110    HD3  LYS  14           1HD      LYS  14  -6.001  -1.373  -4.168
  111    HE2  LYS  14           2HE      LYS  14  -3.976  -1.421  -5.484
  112    HE3  LYS  14           1HE      LYS  14  -4.802  -2.268  -6.791
  113    HZ1  LYS  14           3HZ      LYS  14  -6.205  -0.294  -7.088
  114    HZ2  LYS  14           1HZ      LYS  14  -4.583   0.082  -7.294
  115    HZ3  LYS  14           2HZ      LYS  14  -5.365   0.509  -5.880
  116    H    CYS  15           H        CYS  15  -2.242  -2.011  -1.704
  117    HA   CYS  15           HA       CYS  15  -2.880   0.534  -0.706
  118    HB2  CYS  15           2HB      CYS  15  -0.243  -0.227  -1.928
  119    HB3  CYS  15           1HB      CYS  15  -0.552   0.876  -0.594
  120    H    CYS  16           H        CYS  16  -3.540   2.222  -1.708
  121    HA   CYS  16           HA       CYS  16  -3.892   2.602  -4.404
  122    HB2  CYS  16           2HB      CYS  16  -3.521   4.711  -2.285
  123    HB3  CYS  16           1HB      CYS  16  -4.252   4.964  -3.862
  124    H    GLU  17           H        GLU  17  -2.881   3.780  -5.957
  125    HA   GLU  17           HA       GLU  17  -1.340   4.754  -7.198
  126    HB2  GLU  17           2HB      GLU  17  -1.152   6.285  -5.129
  127    HB3  GLU  17           1HB      GLU  17   0.295   5.377  -4.732
  128    HG2  GLU  17           2HG      GLU  17   0.896   7.414  -5.869
  129    HG3  GLU  17           1HG      GLU  17   1.256   6.025  -6.900
  130    H    GLY  18           H        GLY  18  -1.236   1.960  -6.152
  131    HA2  GLY  18           2HA      GLY  18  -0.011   0.074  -6.626
  132    HA3  GLY  18           1HA      GLY  18   0.958   1.081  -7.692
  133    H    MET  19           H        MET  19   0.470   1.151  -4.216
  134    HA   MET  19           HA       MET  19   3.375   1.261  -3.879
  135    HB2  MET  19           2HB      MET  19   1.132   1.821  -1.941
  136    HB3  MET  19           1HB      MET  19   2.837   1.967  -1.541
  137    HG2  MET  19           2HG      MET  19   1.288   3.567  -3.573
  138    HG3  MET  19           1HG      MET  19   1.981   4.147  -2.057
  139    HE1  MET  19           3HE      MET  19   4.099   5.882  -4.945
  140    HE2  MET  19           1HE      MET  19   2.982   6.161  -3.611
  141    HE3  MET  19           2HE      MET  19   2.412   5.398  -5.097
  142    H    VAL  20           H        VAL  20   4.324  -0.080  -2.096
  143    HA   VAL  20           HA       VAL  20   3.350  -2.759  -2.524
  144    HB   VAL  20           HB       VAL  20   5.793  -2.258  -2.670
  145   HG11  VAL  20          1HG1      VAL  20   5.675  -1.936   0.309
  146   HG12  VAL  20          2HG1      VAL  20   6.000  -0.669  -0.867
  147   HG13  VAL  20          3HG1      VAL  20   7.143  -1.999  -0.668
  148   HG21  VAL  20          3HG2      VAL  20   5.072  -4.298  -0.570
  149   HG22  VAL  20          1HG2      VAL  20   6.598  -4.237  -1.453
  150   HG23  VAL  20          2HG2      VAL  20   5.090  -4.553  -2.313
  151    H    CYS  21           H        CYS  21   2.612  -4.195  -1.068
  152    HA   CYS  21           HA       CYS  21   1.347  -3.122   1.270
  153    HB2  CYS  21           2HB      CYS  21   0.162  -4.762  -0.130
  154    HB3  CYS  21           1HB      CYS  21   1.456  -5.924   0.104
  155    H    ARG  22           H        ARG  22   2.110  -3.274   3.269
  156    HA   ARG  22           HA       ARG  22   4.141  -5.161   4.035
  157    HB2  ARG  22           2HB      ARG  22   5.141  -2.964   2.907
  158    HB3  ARG  22           1HB      ARG  22   4.692  -2.219   4.427
  159    HG2  ARG  22           2HG      ARG  22   7.033  -2.827   4.440
  160    HG3  ARG  22           1HG      ARG  22   6.164  -3.815   5.615
  161    HD2  ARG  22           2HD      ARG  22   6.125  -5.679   4.078
  162    HD3  ARG  22           1HD      ARG  22   6.838  -4.687   2.809
  163    HE   ARG  22           HE       ARG  22   8.587  -4.610   4.927
  164   HH11  ARG  22          1HH1      ARG  22   7.224  -7.139   2.872
  165   HH12  ARG  22          2HH1      ARG  22   8.633  -8.089   2.855
  166   HH21  ARG  22          1HH2      ARG  22  10.486  -5.881   4.951
  167   HH22  ARG  22          2HH2      ARG  22  10.569  -7.355   4.082
  168    H    LEU  23           H        LEU  23   4.660  -3.624   6.489
  169    HA   LEU  23           HA       LEU  23   2.203  -4.009   7.847
  170    HB2  LEU  23           2HB      LEU  23   4.671  -2.474   8.720
  171    HB3  LEU  23           1HB      LEU  23   3.307  -2.806   9.760
  172    HG   LEU  23           HG       LEU  23   4.967  -4.330  10.376
  173   HD11  LEU  23          1HD1      LEU  23   4.046  -6.515   9.888
  174   HD12  LEU  23          2HD1      LEU  23   3.082  -5.822   8.588
  175   HD13  LEU  23          3HD1      LEU  23   2.790  -5.333  10.258
  176   HD21  LEU  23          3HD2      LEU  23   6.452  -4.143   8.453
  177   HD22  LEU  23          1HD2      LEU  23   5.321  -5.073   7.472
  178   HD23  LEU  23          2HD2      LEU  23   6.143  -5.839   8.832
  179    H    TRP  24           H        TRP  24   3.804  -1.345   6.374
  180    HA   TRP  24           HA       TRP  24   1.290   0.091   6.295
  181    HB2  TRP  24           2HB      TRP  24   3.952   1.220   7.143
  182    HB3  TRP  24           1HB      TRP  24   2.708   2.243   6.459
  183    HD1  TRP  24           HD       TRP  24   0.398   2.421   7.923
  184    HE1  TRP  24           1HE      TRP  24   0.079   2.331  10.486
  185    HE3  TRP  24           3HE      TRP  24   4.791   0.247   9.166
  186    HZ2  TRP  24           2HZ      TRP  24   1.530   1.453  12.732
  187    HZ3  TRP  24           3HZ      TRP  24   5.289  -0.194  11.557
  188    HH2  TRP  24           HH       TRP  24   3.679   0.405  13.298
  189    H    CYS  25           H        CYS  25   0.837   0.406   4.253
  190    HA   CYS  25           HA       CYS  25   2.688   0.067   2.103
  191    HB2  CYS  25           2HB      CYS  25   0.167   1.738   2.036
  192    HB3  CYS  25           1HB      CYS  25   0.960   0.911   0.704
  193    H    LYS  26           H        LYS  26   4.242   1.540   1.602
  194    HA   LYS  26           HA       LYS  26   3.639   4.329   2.277
  195    HB2  LYS  26           2HB      LYS  26   6.351   3.000   2.217
  196    HB3  LYS  26           1HB      LYS  26   6.076   4.716   2.453
  197    HG2  LYS  26           2HG      LYS  26   4.856   4.211   4.522
  198    HG3  LYS  26           1HG      LYS  26   5.215   2.499   4.303
  199    HD2  LYS  26           2HD      LYS  26   7.627   3.046   4.323
  200    HD3  LYS  26           1HD      LYS  26   7.222   4.731   4.635
  201    HE2  LYS  26           2HE      LYS  26   7.780   3.734   6.721
  202    HE3  LYS  26           1HE      LYS  26   6.033   3.967   6.699
  203    HZ1  LYS  26           3HZ      LYS  26   6.635   1.803   7.574
  204    HZ2  LYS  26           1HZ      LYS  26   7.487   1.448   6.181
  205    HZ3  LYS  26           2HZ      LYS  26   5.826   1.565   6.094
  206    H    LYS  27           H        LYS  27   4.756   5.860   0.854
  207    HA   LYS  27           HA       LYS  27   4.289   5.102  -1.869
  208    HB2  LYS  27           2HB      LYS  27   5.471   7.637  -0.718
  209    HB3  LYS  27           1HB      LYS  27   5.004   7.387  -2.391
  210    HG2  LYS  27           2HG      LYS  27   2.667   7.158  -1.712
  211    HG3  LYS  27           1HG      LYS  27   3.139   7.367  -0.026
  212    HD2  LYS  27           2HD      LYS  27   2.289   9.459  -0.919
  213    HD3  LYS  27           1HD      LYS  27   4.002   9.608  -0.549
  214    HE2  LYS  27           2HE      LYS  27   4.539   9.273  -2.926
  215    HE3  LYS  27           1HE      LYS  27   2.820   9.141  -3.294
  216    HZ1  LYS  27           3HZ      LYS  27   2.573  11.449  -2.473
  217    HZ2  LYS  27           1HZ      LYS  27   3.617  11.326  -3.786
  218    HZ3  LYS  27           2HZ      LYS  27   4.231  11.536  -2.238
  219    H    LYS  28           H        LYS  28   5.694   4.417  -3.261
  220    HA   LYS  28           HA       LYS  28   8.358   3.847  -2.589
  221    HB2  LYS  28           2HB      LYS  28   8.587   3.225  -4.999
  222    HB3  LYS  28           1HB      LYS  28   7.185   2.499  -4.234
  223    HG2  LYS  28           2HG      LYS  28   5.751   4.224  -5.260
  224    HG3  LYS  28           1HG      LYS  28   7.174   4.900  -6.048
  225    HD2  LYS  28           2HD      LYS  28   5.962   3.524  -7.613
  226    HD3  LYS  28           1HD      LYS  28   7.492   2.739  -7.226
  227    HE2  LYS  28           2HE      LYS  28   6.334   1.264  -5.659
  228    HE3  LYS  28           1HE      LYS  28   4.809   2.071  -6.012
  229    HZ1  LYS  28           3HZ      LYS  28   6.427   0.395  -7.865
  230    HZ2  LYS  28           1HZ      LYS  28   5.090   1.307  -8.357
  231    HZ3  LYS  28           2HZ      LYS  28   4.902   0.080  -7.231
  232    H    LEU  29           H        LEU  29   9.977   5.212  -2.460
  233    HA   LEU  29           HA       LEU  29  10.205   7.403  -4.273
  234    HB2  LEU  29           2HB      LEU  29  10.480   9.069  -2.402
  235    HB3  LEU  29           1HB      LEU  29   8.850   8.521  -2.695
  236    HG   LEU  29           HG       LEU  29   9.203   6.935  -0.709
  237   HD11  LEU  29          1HD1      LEU  29  11.609   7.076  -0.499
  238   HD12  LEU  29          2HD1      LEU  29  10.819   7.631   0.978
  239   HD13  LEU  29          3HD1      LEU  29  11.496   8.802  -0.154
  240   HD21  LEU  29          3HD2      LEU  29   8.623   8.686   0.897
  241   HD22  LEU  29          1HD2      LEU  29   7.759   8.865  -0.632
  242   HD23  LEU  29          2HD2      LEU  29   9.137   9.906  -0.269
  243    H    TRP  30           H        TRP  30  12.293   8.579  -3.851
  244    HA   TRP  30           HA       TRP  30  14.248   6.627  -2.853
  245    HB2  TRP  30           2HB      TRP  30  14.451   6.940  -5.278
  246    HB3  TRP  30           1HB      TRP  30  14.595   8.677  -5.052
  247    HD1  TRP  30           HD       TRP  30  16.944   9.595  -4.802
  248    HE1  TRP  30           1HE      TRP  30  19.319   8.571  -4.462
  249    HE3  TRP  30           3HE      TRP  30  15.640   4.722  -4.066
  250    HZ2  TRP  30           2HZ      TRP  30  20.440   6.048  -3.966
  251    HZ3  TRP  30           3HZ      TRP  30  17.414   3.067  -3.664
  252    HH2  TRP  30           HH       TRP  30  19.762   3.722  -3.618