*HEADER    ANTIMICROBIAL PROTEIN                   10-SEP-12   2LXZ              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE HUMAN DEFENSIN 5      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-5;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DEFENSIN, ALPHA 5, HD5(63-94);                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: DEFA5, DEF5;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PJ201-TEV-HD5                             
*KEYWDS    HUMAN DEFENSIN 5, CYSTEINE KNOT, ANTIMICROBIAL PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.J.WOMMACK, S.A.ROBSON, Y.A.WANNIARAHCHI, A.WAN, C.J.TURNER,         
*AUTHOR   2 E.M.NOLAN                                                            
*REVDAT   1   28-NOV-12 2LXZ    0                                                


assign (resid   10 and name HB2  ) (resid   11 and name HN   )    3.72    3.72    0.00
assign (resid   10 and name HB2  ) (resid   15 and name HN   )    5.50    5.50    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB2  )    3.72    3.72    0.00
assign (resid    2 and name HA   ) (resid    3 and name HN   )    3.46    3.46    0.00
assign (resid   22 and name HB   ) (resid   27 and name HD*  )    5.28    5.28    0.00
assign (resid   22 and name HB   ) (resid   22 and name HD1* )    3.05    3.05    0.00
assign (resid   22 and name HB   ) (resid   27 and name HE*  )    3.43    3.43    0.00
assign (resid   22 and name HN   ) (resid   22 and name HB   )    4.05    4.05    0.00
assign (resid   31 and name HN   ) (resid   31 and name HB1  )    4.09    4.09    0.00
assign (resid   31 and name HB1  ) (resid   32 and name HN   )    4.42    4.42    0.00
assign (resid    1 and name HB*  ) (resid   31 and name HB1  )    3.25    3.25    0.00
assign (resid    3 and name HN   ) (resid   31 and name HB1  )    5.50    5.50    0.00
assign (resid   15 and name HN   ) (resid   31 and name HB1  )    5.50    5.50    0.00
assign (resid   19 and name HA   ) (resid   19 and name HG2* )    4.04    4.04    0.00
assign (resid    3 and name HA   ) (resid   29 and name HD*  )    4.97    4.97    0.00
assign (resid    3 and name HA   ) (resid   32 and name HN   )    3.92    3.92    0.00
assign (resid    2 and name HG2* ) (resid    3 and name HA   )    5.36    5.36    0.00
assign (resid    3 and name HA   ) (resid    4 and name HD*  )    4.54    4.54    0.00
assign (resid    3 and name HA   ) (resid   31 and name HB2  )    5.50    5.50    0.00
assign (resid    2 and name HB   ) (resid    3 and name HA   )    5.50    5.50    0.00
assign (resid    3 and name HA   ) (resid   31 and name HA   )    3.00    3.00    0.00
assign (resid   10 and name HB2  ) (resid   30 and name HB1  )    2.86    2.86    0.00
assign (resid   14 and name HG*  ) (resid   30 and name HB1  )    4.72    4.72    0.00
assign (resid   15 and name HN   ) (resid   30 and name HB1  )    5.34    5.34    0.00
assign (resid   10 and name HB1  ) (resid   30 and name HB1  )    3.60    3.60    0.00
assign (resid    6 and name HG*  ) (resid   30 and name HB1  )    4.06    4.06    0.00 ! added 1.0 angstrom
assign (resid   25 and name HA   ) (resid   25 and name HG2  )    3.83    3.83    0.00
assign (resid   25 and name HA   ) (resid   26 and name HN   )    3.13    3.13    0.00
assign (resid   22 and name HN   ) (resid   25 and name HA   )    5.50    5.50    0.00
assign (resid   14 and name HN   ) (resid   14 and name HG*  )    3.67    3.67    0.00
assign (resid   11 and name HN   ) (resid   14 and name HG*  )    4.06    4.06    0.00
assign (resid   14 and name HG*  ) (resid   30 and name HB2  )    4.08    4.08    0.00
assign (resid   14 and name HG*  ) (resid   15 and name HN   )    4.95    4.95    0.00
assign (resid   14 and name HB*  ) (resid   14 and name HG*  )    2.90    2.90    0.00
assign (resid   25 and name HA   ) (resid   25 and name HG1  )    3.83    3.83    0.00
assign (resid   25 and name HN   ) (resid   25 and name HG1  )    4.76    4.76    0.00
assign (resid   25 and name HG1  ) (resid   26 and name HN   )    4.72    4.72    0.00
assign (resid   15 and name HA   ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid    9 and name HB*  ) (resid   10 and name HN   )    3.75    3.75    0.00
assign (resid    9 and name HB*  ) (resid    9 and name HG*  )    2.66    2.66    0.00
assign (resid    9 and name HN   ) (resid    9 and name HB*  )    3.94    3.94    0.00
assign (resid   17 and name HB2  ) (resid   29 and name HD*  )    4.13    4.13    0.00
assign (resid   17 and name HB2  ) (resid   29 and name HB*  )    4.89    4.89    0.00
assign (resid   17 and name HB2  ) (resid   18 and name HN   )    5.50    5.50    0.00
assign (resid   22 and name HG1* ) (resid   27 and name HD*  )    4.82    4.82    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG1* )    4.72    4.72    0.00
assign (resid   12 and name HG2* ) (resid   13 and name HN   )    3.47    3.47    0.00
assign (resid   12 and name HA   ) (resid   12 and name HG2* )    3.15    3.15    0.00
assign (resid   16 and name HB*  ) (resid   17 and name HN   )    5.50    5.50    0.00
assign (resid   16 and name HN   ) (resid   16 and name HB*  )    3.62    3.62    0.00
assign (resid   16 and name HB*  ) (resid   16 and name HD1* )    3.77    3.77    0.00
assign (resid    4 and name HE*  ) (resid   32 and name HD*  )    4.17    4.17    0.00
assign (resid   23 and name HB2  ) (resid   27 and name HE*  )    5.45    5.45    0.00
assign (resid   23 and name HB2  ) (resid   24 and name HN   )    5.50    5.50    0.00
assign (resid   23 and name HA   ) (resid   23 and name HB2  )    2.95    2.95    0.00
assign (resid   20 and name HN   ) (resid   20 and name HB1  )    4.06    4.06    0.00
assign (resid   20 and name HB1  ) (resid   27 and name HN   )    4.20    4.20    0.00
assign (resid    6 and name HA   ) (resid    6 and name HD*  )    4.80    4.80    0.00
assign (resid   22 and name HD1* ) (resid   27 and name HD*  )    4.01    4.01    0.00
assign (resid   22 and name HA   ) (resid   22 and name HD1* )    4.14    4.14    0.00
assign (resid    5 and name HB1  ) (resid   22 and name HD1* )    4.66    4.66    0.00
assign (resid   22 and name HD1* ) (resid   27 and name HB1  )    4.02    4.02    0.00
assign (resid   22 and name HN   ) (resid   22 and name HD1* )    4.40    4.40    0.00
assign (resid    5 and name HN   ) (resid   22 and name HD1* )    5.48    5.48    0.00
assign (resid   22 and name HG2* ) (resid   22 and name HD1* )    2.58    2.58    0.00
assign (resid   20 and name HA   ) (resid   22 and name HD1* )    5.25    5.25    0.00
assign (resid    2 and name HA   ) (resid    2 and name HG2* )    3.46    3.46    0.00
assign (resid    2 and name HN   ) (resid    2 and name HG2* )    4.14    4.14    0.00
assign (resid    2 and name HG2* ) (resid    4 and name HD*  )    4.70    4.70    0.00
assign (resid    2 and name HG2* ) (resid    3 and name HN   )    4.03    4.03    0.00
assign (resid    2 and name HG2* ) (resid    4 and name HE*  )    3.58    3.58    0.00
assign (resid   16 and name HB*  ) (resid   16 and name HG   )    2.86    2.86    0.00
assign (resid   16 and name HA   ) (resid   16 and name HG   )    3.68    3.68    0.00
assign (resid   10 and name HA   ) (resid   14 and name HG*  )    5.14    5.14    0.00
assign (resid    9 and name HA   ) (resid   10 and name HA   )    4.98    4.98    0.00
assign (resid   26 and name HB*  ) (resid   26 and name HD*  )    3.15    3.15    0.00
assign (resid    1 and name HB*  ) (resid    2 and name HN   )    3.01    3.01    0.00
assign (resid    1 and name HB*  ) (resid   31 and name HA   )    4.90    4.90    0.00
assign (resid   22 and name HA   ) (resid   22 and name HG2* )    3.48    3.48    0.00
assign (resid   31 and name HN   ) (resid   31 and name HB2  )    3.73    3.73    0.00
assign (resid   31 and name HB2  ) (resid   32 and name HN   )    5.50    5.50    0.00
assign (resid    1 and name HB*  ) (resid   31 and name HB2  )    3.77    3.77    0.00
assign (resid    3 and name HN   ) (resid   31 and name HB2  )    5.50    5.50    0.00
assign (resid   15 and name HN   ) (resid   31 and name HB2  )    5.50    5.50    0.00
assign (resid   30 and name HA   ) (resid   31 and name HB2  )    4.77    4.77    0.00
assign (resid   29 and name HG   ) (resid   31 and name HB2  )    5.50    5.50    0.00
assign (resid   19 and name HG1* ) (resid   20 and name HN   )    5.50    5.50    0.00
assign (resid    6 and name HB*  ) (resid    6 and name HD*  )    3.27    3.27    0.00
assign (resid    6 and name HN   ) (resid    6 and name HB*  )    3.95    3.95    0.00
assign (resid    4 and name HD*  ) (resid    5 and name HA   )    5.33    5.33    0.00
assign (resid    5 and name HA   ) (resid   29 and name HA   )    2.70    2.70    0.00
assign (resid   10 and name HB2  ) (resid   30 and name HB2  )    3.73    3.73    0.00
assign (resid   11 and name HN   ) (resid   30 and name HB2  )    5.32    5.32    0.00
assign (resid   16 and name HD2* ) (resid   30 and name HB2  )    5.14    5.14    0.00
assign (resid   10 and name HB1  ) (resid   30 and name HB2  )    3.09    3.09    0.00
assign (resid   25 and name HA   ) (resid   25 and name HD*  )    4.11    4.11    0.00
assign (resid   25 and name HD*  ) (resid   26 and name HN   )    5.07    5.07    0.00
assign (resid   25 and name HB*  ) (resid   25 and name HD*  )    3.75    3.75    0.00
assign (resid   15 and name HB1  ) (resid   31 and name HN   )    4.03    4.03    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB1  )    3.87    3.87    0.00
assign (resid   15 and name HB1  ) (resid   16 and name HN   )    5.45    5.45    0.00
assign (resid   11 and name HB*  ) (resid   14 and name HN   )    4.86    4.86    0.00
assign (resid   11 and name HB*  ) (resid   13 and name HN   )    3.11    3.11    0.00
assign (resid   11 and name HN   ) (resid   11 and name HB*  )    2.70    2.70    0.00
assign (resid   11 and name HB*  ) (resid   12 and name HN   )    2.86    2.86    0.00
assign (resid   25 and name HN   ) (resid   25 and name HG2  )    4.76    4.76    0.00
assign (resid   25 and name HG2  ) (resid   26 and name HN   )    4.72    4.72    0.00
assign (resid    9 and name HA   ) (resid    9 and name HD*  )    3.62    3.62    0.00
assign (resid    9 and name HD*  ) (resid   10 and name HN   )    3.90    3.90    0.00
assign (resid    5 and name HB1  ) (resid    6 and name HN   )    4.41    4.41    0.00
assign (resid    9 and name HA   ) (resid    9 and name HB*  )    3.00    3.00    0.00
assign (resid    9 and name HA   ) (resid   10 and name HN   )    2.64    2.64    0.00
assign (resid    9 and name HA   ) (resid    9 and name HG*  )    3.05    3.05    0.00
assign (resid   29 and name HB*  ) (resid   29 and name HD*  )    3.43    3.43    0.00
assign (resid   18 and name HN   ) (resid   29 and name HB*  )    4.41    4.41    0.00
assign (resid   12 and name HB   ) (resid   13 and name HN   )    3.93    3.93    0.00
assign (resid   12 and name HN   ) (resid   12 and name HB   )    3.29    3.29    0.00
assign (resid   11 and name HA   ) (resid   12 and name HB   )    5.50    5.50    0.00
assign (resid   16 and name HA   ) (resid   30 and name HA   )    3.85    3.85    0.00
assign (resid    2 and name HN   ) (resid   32 and name HG*  )    4.40    4.40    0.00
assign (resid    4 and name HE*  ) (resid   32 and name HG*  )    4.97    4.97    0.00
assign (resid   32 and name HA   ) (resid   32 and name HG*  )    3.96    3.96    0.00
assign (resid   23 and name HB1  ) (resid   27 and name HE*  )    5.45    5.45    0.00
assign (resid   23 and name HB1  ) (resid   24 and name HN   )    5.50    5.50    0.00
assign (resid   23 and name HA   ) (resid   23 and name HB1  )    2.95    2.95    0.00
assign (resid   20 and name HN   ) (resid   20 and name HB2  )    3.52    3.52    0.00
assign (resid   20 and name HB2  ) (resid   27 and name HN   )    4.95    4.95    0.00
assign (resid    5 and name HA   ) (resid    6 and name HA   )    5.50    5.50    0.00
assign (resid   16 and name HB*  ) (resid   16 and name HD2* )    3.77    3.77    0.00
assign (resid   16 and name HD2* ) (resid   29 and name HA   )    4.24    4.24    0.00
assign (resid   10 and name HB1  ) (resid   30 and name HN   )    5.50    5.50    0.00
assign (resid   10 and name HB1  ) (resid   14 and name HG*  )    3.62    3.62    0.00
assign (resid   10 and name HB1  ) (resid   11 and name HB*  )    4.44    4.44    0.00
assign (resid   10 and name HB1  ) (resid   14 and name HB*  )    4.12    4.12    0.00
assign (resid    2 and name HB   ) (resid   32 and name HN   )    3.82    3.82    0.00
assign (resid    2 and name HN   ) (resid    2 and name HB   )    3.82    3.82    0.00
assign (resid    1 and name HB*  ) (resid    2 and name HB   )    4.64    4.64    0.00
assign (resid    2 and name HB   ) (resid    3 and name HN   )    5.28    5.28    0.00
assign (resid    2 and name HB   ) (resid   32 and name HG*  )    4.05    4.05    0.00
assign (resid    2 and name HB   ) (resid    4 and name HE*  )    5.50    5.50    0.00
assign (resid    2 and name HA   ) (resid    3 and name HB1  )    5.50    5.50    0.00
assign (resid    3 and name HB1  ) (resid   29 and name HD*  )    3.27    3.27    0.00
assign (resid    3 and name HB1  ) (resid   29 and name HG   )    3.91    3.91    0.00
assign (resid    5 and name HB1  ) (resid   27 and name HB1  )    2.84    2.84    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB1  )    3.65    3.65    0.00
assign (resid    1 and name HA   ) (resid    2 and name HN   )    2.81    2.81    0.00
assign (resid   31 and name HA   ) (resid   32 and name HN   )    3.29    3.29    0.00
assign (resid   15 and name HN   ) (resid   31 and name HA   )    5.50    5.50    0.00
assign (resid    3 and name HB1  ) (resid   31 and name HA   )    4.85    4.85    0.00
assign (resid   14 and name HA   ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB*  )    3.83    3.83    0.00
assign (resid   25 and name HB*  ) (resid   26 and name HN   )    5.02    5.02    0.00
assign (resid   24 and name HN   ) (resid   25 and name HB*  )    5.50    5.50    0.00
assign (resid   22 and name HN   ) (resid   25 and name HB*  )    5.50    5.50    0.00
assign (resid   10 and name HB2  ) (resid   30 and name HA   )    5.09    5.09    0.00
assign (resid   30 and name HA   ) (resid   31 and name HN   )    3.05    3.05    0.00
assign (resid   15 and name HN   ) (resid   30 and name HA   )    5.37    5.37    0.00
assign (resid   29 and name HB*  ) (resid   30 and name HA   )    5.50    5.50    0.00
assign (resid   14 and name HB*  ) (resid   30 and name HA   )    4.44    4.44    0.00
assign (resid   17 and name HN   ) (resid   30 and name HA   )    4.11    4.11    0.00
assign (resid   10 and name HB2  ) (resid   14 and name HB*  )    3.53    3.53    0.00
assign (resid   14 and name HB*  ) (resid   32 and name HD*  )    3.41    3.41    0.00
assign (resid   11 and name HN   ) (resid   14 and name HB*  )    4.78    4.78    0.00
assign (resid   10 and name HA   ) (resid   14 and name HB*  )    4.94    4.94    0.00
assign (resid   14 and name HB*  ) (resid   30 and name HB2  )    3.56    3.56    0.00
assign (resid   14 and name HB*  ) (resid   15 and name HN   )    4.12    4.12    0.00
assign (resid   15 and name HB2  ) (resid   31 and name HN   )    4.01    4.01    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB2  )    3.87    3.87    0.00
assign (resid    7 and name HG2* ) (resid    8 and name HN   )    4.68    4.68    0.00
assign (resid    7 and name HA   ) (resid    7 and name HG2* )    3.83    3.83    0.00
assign (resid    7 and name HN   ) (resid    7 and name HG2* )    3.84    3.84    0.00
assign (resid    9 and name HG*  ) (resid   10 and name HN   )    3.97    3.97    0.00
assign (resid    9 and name HN   ) (resid    9 and name HG*  )    3.75    3.75    0.00
assign (resid   17 and name HB1  ) (resid   31 and name HB1  )    5.50    5.50    0.00
assign (resid   17 and name HB1  ) (resid   29 and name HD*  )    3.72    3.72    0.00
assign (resid   17 and name HB1  ) (resid   31 and name HB2  )    4.91    4.91    0.00
assign (resid   17 and name HB1  ) (resid   29 and name HB*  )    4.27    4.27    0.00
assign (resid   17 and name HB1  ) (resid   18 and name HN   )    5.43    5.43    0.00
assign (resid   17 and name HN   ) (resid   17 and name HB1  )    3.69    3.69    0.00
assign (resid   17 and name HB1  ) (resid   29 and name HG   )    4.18    4.18    0.00
assign (resid   22 and name HG2* ) (resid   22 and name HG1* )    2.44    2.44    0.00
assign (resid   22 and name HG2* ) (resid   23 and name HN   )    4.30    4.30    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG2* )    4.81    4.81    0.00
assign (resid    5 and name HB2  ) (resid   22 and name HG1* )    4.90    4.90    0.00
assign (resid    5 and name HB2  ) (resid   22 and name HD1* )    5.50    5.50    0.00
assign (resid    5 and name HB2  ) (resid    6 and name HN   )    4.28    4.28    0.00
assign (resid   12 and name HA   ) (resid   14 and name HN   )    4.64    4.64    0.00
assign (resid   11 and name HA   ) (resid   12 and name HA   )    4.55    4.55    0.00
assign (resid    6 and name HB*  ) (resid    6 and name HG*  )    2.93    2.93    0.00
assign (resid   31 and name HB1  ) (resid   32 and name HA   )    5.04    5.04    0.00
assign (resid   32 and name HA   ) (resid   32 and name HD*  )    4.05    4.05    0.00
assign (resid    2 and name HN   ) (resid   32 and name HA   )    4.43    4.43    0.00
assign (resid   31 and name HB2  ) (resid   32 and name HA   )    5.25    5.25    0.00
assign (resid   14 and name HA   ) (resid   32 and name HA   )    3.69    3.69    0.00
assign (resid   23 and name HA   ) (resid   24 and name HN   )    3.50    3.50    0.00
assign (resid   22 and name HG2* ) (resid   23 and name HA   )    4.31    4.31    0.00
assign (resid   19 and name HB   ) (resid   26 and name HD*  )    3.74    3.74    0.00
assign (resid   11 and name HA   ) (resid   12 and name HN   )    2.84    2.84    0.00
assign (resid   16 and name HD1* ) (resid   30 and name HB2  )    5.14    5.14    0.00
assign (resid   16 and name HD1* ) (resid   29 and name HA   )    4.24    4.24    0.00
assign (resid    4 and name HB*  ) (resid    5 and name HN   )    3.64    3.64    0.00
assign (resid    7 and name HG2* ) (resid    8 and name HA*  )    5.22    5.22    0.00
assign (resid   10 and name HN   ) (resid   16 and name HD*  )    5.18    5.18    0.00
assign (resid   12 and name HN   ) (resid   13 and name HG*  )    5.34    5.34    0.00
assign (resid   12 and name HB   ) (resid   13 and name HG*  )    4.03    4.03    0.00
assign (resid   12 and name HG2* ) (resid   13 and name HD*  )    4.12    4.12    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB*  )    3.51    3.51    0.00
assign (resid   13 and name HN   ) (resid   13 and name HG*  )    4.00    4.00    0.00
assign (resid   13 and name HA   ) (resid   13 and name HG*  )    3.23    3.23    0.00
assign (resid   13 and name HA   ) (resid   13 and name HD*  )    3.86    3.86    0.00
assign (resid   13 and name HB*  ) (resid   13 and name HG*  )    2.37    2.37    0.00
assign (resid   13 and name HB*  ) (resid   13 and name HD*  )    3.14    3.14    0.00
assign (resid   13 and name HG*  ) (resid   13 and name HD*  )    2.34    2.34    0.00
assign (resid   13 and name HG*  ) (resid   14 and name HN   )    4.76    4.76    0.00
assign (resid   16 and name HN   ) (resid   16 and name HD*  )    4.14    4.14    0.00
assign (resid   16 and name HA   ) (resid   16 and name HD*  )    3.01    3.01    0.00
assign (resid   16 and name HD*  ) (resid   17 and name HN   )    3.54    3.54    0.00
assign (resid   16 and name HD*  ) (resid   18 and name HN   )    3.66    3.66    0.00
assign (resid   16 and name HD*  ) (resid   18 and name HA*  )    4.93    4.93    0.00
assign (resid   16 and name HD*  ) (resid   30 and name HA   )    4.23    4.23    0.00
assign (resid   16 and name HD*  ) (resid   30 and name HB2  )    4.45    4.45    0.00
assign (resid   18 and name HA*  ) (resid   19 and name HA   )    4.95    4.95    0.00
assign (resid   22 and name HN   ) (resid   25 and name HG*  )    5.31    5.31    0.00
assign (resid   22 and name HB   ) (resid   23 and name HB*  )    5.34    5.34    0.00
assign (resid   22 and name HG2* ) (resid   23 and name HB*  )    3.59    3.59    0.00
assign (resid   25 and name HN   ) (resid   25 and name HG*  )    4.04    4.04    0.00
assign (resid   25 and name HA   ) (resid   25 and name HG*  )    3.11    3.11    0.00
assign (resid   25 and name HG*  ) (resid   26 and name HN   )    3.91    3.91    0.00
assign (resid   25 and name HG*  ) (resid   27 and name HE*  )    4.37    4.37    0.00
assign (resid   28 and name HA   ) (resid   19 and name HA   )    2.50    2.50    0.00 ! additions
assign (resid   26 and name HA   ) (resid   21 and name HA   )    2.50    2.50    0.00 ! additions
assign (resid    5 and name HN   ) (resid   29 and name HD*  )    4.35    4.35    0.00
assign (resid    4 and name HD*  ) (resid    5 and name HN   )    3.80    3.80    0.00
assign (resid    7 and name HG2* ) (resid    8 and name HN   )    4.89    4.89    0.00
assign (resid   17 and name HN   ) (resid   30 and name HA   )    4.22    4.22    0.00
assign (resid   16 and name HB*  ) (resid   17 and name HN   )    4.83    4.83    0.00
assign (resid   16 and name HA   ) (resid   17 and name HN   )    3.27    3.27    0.00
assign (resid   17 and name HN   ) (resid   18 and name HN   )    3.58    3.58    0.00
assign (resid   11 and name HN   ) (resid   14 and name HG*  )    3.69    3.69    0.00
assign (resid   10 and name HA   ) (resid   11 and name HN   )    2.92    2.92    0.00
assign (resid   11 and name HN   ) (resid   14 and name HB1  )    3.97    3.97    0.00
assign (resid   10 and name HB1  ) (resid   11 and name HN   )    3.53    3.53    0.00
assign (resid   11 and name HN   ) (resid   14 and name HB2  )    3.97    3.97    0.00
assign (resid   10 and name HB2  ) (resid   11 and name HN   )    3.28    3.28    0.00
assign (resid   14 and name HN   ) (resid   14 and name HG*  )    3.30    3.30    0.00
assign (resid   11 and name HN   ) (resid   14 and name HN   )    4.18    4.18    0.00
assign (resid   11 and name HB*  ) (resid   14 and name HN   )    3.89    3.89    0.00
assign (resid   13 and name HN   ) (resid   14 and name HN   )    3.21    3.21    0.00
assign (resid   12 and name HA   ) (resid   14 and name HN   )    3.91    3.91    0.00
assign (resid    2 and name HB   ) (resid   32 and name HN   )    5.49    5.49    0.00
assign (resid   32 and name HN   ) (resid   32 and name HB*  )    4.00    4.00    0.00
assign (resid    2 and name HA   ) (resid   32 and name HN   )    4.95    4.95    0.00
assign (resid   31 and name HB1  ) (resid   32 and name HN   )    3.95    3.95    0.00
assign (resid   31 and name HA   ) (resid   32 and name HN   )    3.25    3.25    0.00
assign (resid    3 and name HA   ) (resid   32 and name HN   )    4.12    4.12    0.00
assign (resid   31 and name HB2  ) (resid   32 and name HN   )    4.39    4.39    0.00
assign (resid   11 and name HB*  ) (resid   13 and name HN   )    3.29    3.29    0.00
assign (resid   22 and name HN   ) (resid   27 and name HN   )    4.10    4.10    0.00
assign (resid    2 and name HB   ) (resid    3 and name HN   )    4.71    4.71    0.00
assign (resid    3 and name HN   ) (resid   31 and name HB1  )    4.97    4.97    0.00
assign (resid    2 and name HG2* ) (resid    3 and name HN   )    5.18    5.18    0.00
assign (resid    2 and name HN   ) (resid    3 and name HN   )    3.97    3.97    0.00
assign (resid    3 and name HN   ) (resid   31 and name HB2  )    5.50    5.50    0.00
assign (resid   30 and name HA   ) (resid   31 and name HN   )    2.73    2.73    0.00
assign (resid   15 and name HB2  ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid   31 and name HN   ) (resid   32 and name HD*  )    5.38    5.38    0.00
assign (resid   15 and name HA   ) (resid   31 and name HN   )    3.97    3.97    0.00
assign (resid   31 and name HN   ) (resid   32 and name HB*  )    4.70    4.70    0.00
assign (resid   31 and name HN   ) (resid   31 and name HB1  )    3.54    3.54    0.00
assign (resid   15 and name HB1  ) (resid   31 and name HN   )    4.16    4.16    0.00
assign (resid   15 and name HN   ) (resid   31 and name HN   )    3.25    3.25    0.00
assign (resid   14 and name HA   ) (resid   31 and name HN   )    4.27    4.27    0.00
assign (resid   31 and name HN   ) (resid   31 and name HB2  )    3.28    3.28    0.00
assign (resid   29 and name HG   ) (resid   30 and name HN   )    4.31    4.31    0.00
assign (resid   29 and name HD*  ) (resid   30 and name HN   )    3.65    3.65    0.00
assign (resid   29 and name HB*  ) (resid   30 and name HN   )    3.96    3.96    0.00
assign (resid   17 and name HB1  ) (resid   18 and name HN   )    5.07    5.07    0.00
assign (resid   16 and name HD1* ) (resid   18 and name HN   )    5.35    5.35    0.00
assign (resid   17 and name HB2  ) (resid   18 and name HN   )    4.11    4.11    0.00
assign (resid   18 and name HN   ) (resid   29 and name HD*  )    5.32    5.32    0.00
assign (resid   18 and name HN   ) (resid   29 and name HB*  )    4.19    4.19    0.00
assign (resid   16 and name HD2* ) (resid   18 and name HN   )    5.35    5.35    0.00
assign (resid    9 and name HB*  ) (resid   10 and name HN   )    3.34    3.34    0.00
assign (resid    9 and name HD*  ) (resid   10 and name HN   )    3.89    3.89    0.00
assign (resid    9 and name HA   ) (resid   10 and name HN   )    2.61    2.61    0.00
assign (resid    9 and name HG*  ) (resid   10 and name HN   )    3.19    3.19    0.00
assign (resid    5 and name HB1  ) (resid    6 and name HN   )    4.60    4.60    0.00
assign (resid    5 and name HB2  ) (resid    6 and name HN   )    5.50    5.50    0.00
assign (resid    4 and name HD*  ) (resid    6 and name HN   )    4.79    4.79    0.00
assign (resid   25 and name HD*  ) (resid   26 and name HN   )    5.33    5.33    0.00
assign (resid   25 and name HB*  ) (resid   26 and name HN   )    4.59    4.59    0.00
assign (resid   23 and name HB1  ) (resid   24 and name HN   )    4.63    4.63    0.00
assign (resid   24 and name HN   ) (resid   25 and name HN   )    3.71    3.71    0.00
assign (resid   23 and name HA   ) (resid   24 and name HN   )    3.17    3.17    0.00
assign (resid   23 and name HB2  ) (resid   24 and name HN   )    4.63    4.63    0.00
assign (resid   22 and name HN   ) (resid   25 and name HN   )    3.68    3.68    0.00
assign (resid   22 and name HN   ) (resid   27 and name HE*  )    3.59    3.59    0.00
assign (resid   22 and name HN   ) (resid   25 and name HA   )    4.72    4.72    0.00
assign (resid   22 and name HN   ) (resid   27 and name HD*  )    3.69    3.69    0.00
assign (resid   12 and name HN   ) (resid   14 and name HN   )    4.10    4.10    0.00
assign (resid   11 and name HB*  ) (resid   12 and name HN   )    2.78    2.78    0.00
assign (resid   11 and name HA   ) (resid   12 and name HN   )    2.74    2.74    0.00
assign (resid   15 and name HN   ) (resid   30 and name HA   )    4.25    4.25    0.00
!assign (resid   14 and name HG*  ) (resid   15 and name HN   )    3.51    3.51    0.00
assign (resid   15 and name HN   ) (resid   30 and name HB1  )    4.62    4.62    0.00
assign (resid   14 and name HB1  ) (resid   15 and name HN   )    3.98    3.98    0.00
assign (resid   15 and name HN   ) (resid   31 and name HB1  )    5.50    5.50    0.00
assign (resid   14 and name HA   ) (resid   15 and name HN   )    2.99    2.99    0.00
assign (resid   14 and name HB2  ) (resid   15 and name HN   )    3.98    3.98    0.00
assign (resid   15 and name HN   ) (resid   31 and name HA   )    4.91    4.91    0.00
assign (resid   15 and name HN   ) (resid   31 and name HB2  )    4.69    4.69    0.00
assign (resid   16 and name HN   ) (resid   16 and name HB*  )    3.13    3.13    0.00
assign (resid   16 and name HN   ) (resid   16 and name HD1* )    4.39    4.39    0.00
assign (resid   15 and name HA   ) (resid   16 and name HN   )    3.17    3.17    0.00
assign (resid   15 and name HB1  ) (resid   16 and name HN   )    3.65    3.65    0.00
assign (resid   16 and name HN   ) (resid   16 and name HD2* )    4.39    4.39    0.00
assign (resid   22 and name HG2* ) (resid   23 and name HN   )    4.45    4.45    0.00
assign (resid   22 and name HG1* ) (resid   23 and name HN   )    5.44    5.44    0.00
assign (resid   23 and name HN   ) (resid   24 and name HN   )    4.50    4.50    0.00
assign (resid    1 and name HA   ) (resid    2 and name HN   )    2.71    2.71    0.00
assign (resid    2 and name HN   ) (resid   32 and name HB*  )    4.26    4.26    0.00
assign (resid    2 and name HN   ) (resid   32 and name HG*  )    5.03    5.03    0.00
assign (resid    1 and name HB*  ) (resid    2 and name HN   )    3.26    3.26    0.00
assign (resid    2 and name HN   ) (resid   32 and name HA   )    5.37    5.37    0.00
assign (resid    2 and name HN   ) (resid    3 and name HA   )    4.93    4.93    0.00
assign (resid    9 and name HN   ) (resid    9 and name HB*  )    3.65    3.65    0.00
assign (resid    8 and name HA1  ) (resid    9 and name HN   )    3.08    3.08    0.00
assign (resid    8 and name HA2  ) (resid    9 and name HN   )    3.08    3.08    0.00
assign (resid   10 and name HN   ) (resid   16 and name HD*  )    4.67    4.67    0.00
assign (resid   11 and name HN   ) (resid   14 and name HB*  )    3.30    3.30    0.00
assign (resid   12 and name HN   ) (resid   13 and name HG*  )    4.33    4.33    0.00
assign (resid   14 and name HB*  ) (resid   15 and name HN   )    3.48    3.48    0.00
assign (resid   16 and name HN   ) (resid   16 and name HD*  )    3.83    3.83    0.00
assign (resid   16 and name HD*  ) (resid   17 and name HN   )    3.73    3.73    0.00
assign (resid   16 and name HD*  ) (resid   18 and name HN   )    4.46    4.46    0.00
assign (resid   25 and name HG*  ) (resid   26 and name HN   )    3.97    3.97    0.00
assign (resid    2 and name HB   ) (resid   32 and name HD*  )    5.50    5.50    0.00
assign (resid    4 and name HD*  ) (resid    5 and name HB1  )    5.50    5.50    0.00
assign (resid   11 and name HA   ) (resid   12 and name HG2* )    5.50    5.50    0.00
assign (resid   11 and name HB*  ) (resid   12 and name HA   )    5.50    5.50    0.00
assign (resid   11 and name HB*  ) (resid   12 and name HB   )    5.00    5.00    0.00
assign (resid    3 and name HA   ) (resid    4 and name HD*  )    4.00    4.00    0.00
assign (resid    6 and name HD*  ) (resid   14 and name HB*  )    5.50    5.50    0.00
assign (resid   10 and name HN   ) (resid   11 and name HA   )    5.50    5.50    0.00
assign (resid   12 and name HA   ) (resid   13 and name HA   )    5.00    5.00    0.00
assign (resid   14 and name HB*  ) (resid   32 and name HD*  )    5.50    5.50    0.00
assign (resid   16 and name HD*  ) (resid   19 and name HA   )    5.00    5.00    0.00
assign (resid   17 and name HB2  ) (resid   29 and name HG   )    4.00    4.00    0.00
assign (resid   19 and name HB   ) (resid   20 and name HB*  )    6.50    6.50    0.00
assign (resid   20 and name HA   ) (resid   22 and name HG1* )    5.50    5.50    0.00
assign (resid   20 and name HB*  ) (resid   22 and name HB   )    5.50    5.50    0.00
assign (resid    3 and name HB*  ) (resid   31 and name HB*  )    5.50    5.50    0.00
assign (resid    5 and name HB*  ) (resid   29 and name HA   )    5.50    5.50    0.00
assign (resid    9 and name HA   ) (resid   10 and name HB*  )    5.50    5.50    0.00
assign (resid   12 and name HA   ) (resid   13 and name HB*  )    5.50    5.50    0.00
assign (resid   15 and name HB*  ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid   16 and name HD*  ) (resid   19 and name HG*  )    4.50    4.50    0.00
assign (resid   17 and name HB*  ) (resid   30 and name HA   )    5.50    5.50    0.00
assign (resid   22 and name HA   ) (resid   23 and name HB*  )    5.50    5.50    0.00
assign (resid    1 and name HA   ) (resid    2 and name HB   )    5.00    5.00    0.00
assign (resid    2 and name HN   ) (resid    3 and name HA   )    5.00    5.00    0.00
assign (resid    2 and name HA   ) (resid   32 and name HN   )    5.00    5.00    0.00
assign (resid    2 and name HB   ) (resid   32 and name HB*  )    5.00    5.00    0.00
assign (resid    3 and name HA   ) (resid    4 and name HB*  )    5.50    5.50    0.00
assign (resid    4 and name HD*  ) (resid   30 and name HB*  )    5.50    5.50    0.00
assign (resid    8 and name HA*  ) (resid    9 and name HA   )    4.50    4.50    0.00
assign (resid   10 and name HA   ) (resid   11 and name HB*  )    5.00    5.00    0.00
assign (resid   11 and name HB*  ) (resid   13 and name HB*  )    5.50    5.50    0.00
assign (resid   16 and name HN   ) (resid   30 and name HA   )    5.00    5.00    0.00
assign (resid   16 and name HD*  ) (resid   19 and name HN   )    6.00    6.00    0.00
assign (resid   22 and name HA   ) (resid   23 and name HA   )    4.50    4.50    0.00
assign (resid   31 and name HN   ) (resid   32 and name HB*  )    5.50    5.50    0.00
assign (resid    3 and name HB*  ) (resid    5 and name HN   )    6.00    6.00    0.00
assign (resid    1 and name HB*  ) (resid    2 and name HA   )    5.50    5.50    0.00
assign (resid   11 and name HN   ) (resid   12 and name HN   )    5.50    5.50    0.00
assign (resid   14 and name HN   ) (resid   15 and name HN   )    5.50    5.50    0.00
assign (resid   14 and name HA   ) (resid   30 and name HA   )    5.50    5.50    0.00
assign (resid   16 and name HN   ) (resid   17 and name HN   )    5.50    5.50    0.00
assign (resid    5 and name HN   ) (resid   20 and name HB*  )    5.50    5.50    0.00
assign (resid   12 and name HN   ) (resid   13 and name HN   )    5.50    5.50    0.00
assign (resid   20 and name HB*  ) (resid   26 and name HD*  )    5.50    5.50    0.00
assign (resid   20 and name HB*  ) (resid   22 and name HG1* )    5.50    5.50    0.00
assign (resid   25 and name HB*  ) (resid   27 and name HE*  )    5.50    5.50    0.00
assign (resid   11 and name HB*  ) (resid   14 and name HG*  )    5.00    5.00    0.00
assign (resid    5 and name HB2  ) (resid   27 and name HA   )    5.50    5.50    0.00
assign (resid    4 and name HD*  ) (resid    5 and name HB*  )    5.50    5.50    0.00
assign (resid   10 and name HB2  ) (resid   11 and name HN   )    4.50    4.50    0.00
assign (resid    6 and name HB*  ) (resid   30 and name HB*  )    5.00    5.00    0.00
assign (resid    5 and name HA   ) (resid   20 and name HB1  )    5.00    5.00    0.00
assign (resid    7 and name HA   ) (resid   25 and name HG*  )    5.50    5.50    0.00
assign (resid   10 and name HB2  ) (resid   14 and name HG*  )    5.50    5.50    0.00
assign (resid   12 and name HN   ) (resid   14 and name HN   )    4.50    4.50    0.00
assign (resid   12 and name HB   ) (resid   13 and name HA   )    4.50    4.50    0.00
assign (resid   13 and name HB*  ) (resid   14 and name HN   )    4.40    4.40    0.00
assign (resid   20 and name HB*  ) (resid   22 and name HN   )    5.50    5.50    0.00
assign (resid   22 and name HB   ) (resid   27 and name HB*  )    5.50    5.50    0.00
assign (resid    5 and name HN   ) (resid   22 and name HG1* )    5.50    5.50    0.00
assign (resid   10 and name HN   ) (resid   30 and name HB*  )    5.50    5.50    0.00
assign (resid   22 and name HD1* ) (resid   27 and name HE*  )    5.00    5.00    0.00
assign (resid    1 and name HB*  ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid    3 and name HA   ) (resid   32 and name HB*  )    6.50    6.50    0.00
assign (resid   10 and name HB*  ) (resid   14 and name HN   )    5.00    5.00    0.00
assign (resid   30 and name HB1  ) (resid   31 and name HN   )    4.00    4.00    0.00
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assign (resid   11 and name HN   ) (resid   30 and name HB1  )    5.00    5.00    0.00
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assign (resid   13 and name HB*  ) (resid   14 and name HG*  )    6.50    6.50    0.00
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assign (resid   10 and name HN   ) (resid   10 and name HB1  )    4.00    4.00    0.00
assign (resid   15 and name HA   ) (resid   31 and name HN   )    5.00    5.00    0.00
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assign (resid   20 and name HN   ) (resid   27 and name HN   )    4.00    4.00    0.00
assign (resid   15 and name HB2  ) (resid   31 and name HN   )    5.50    5.50    0.00
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assign (resid   16 and name HN   ) (resid   31 and name HN   )    5.50    5.50    0.00
assign (resid   22 and name HN   ) (resid   22 and name HG2* )    5.50    5.50    0.00
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assign (resid   14 and name HG*  ) (resid   32 and name HD*  )    4.50    4.50    0.00
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assign (resid   14 and name HN   ) (resid   14 and name HB*  )    2.92    2.92    0.00
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assign (resid    2 and name N    ) (resid    2 and name CA   )
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assign (resid    2 and name C    ) (resid    3 and name N    )
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assign (resid    3 and name N    ) (resid    3 and name CA   )
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assign (resid    4 and name N    ) (resid    4 and name CA   )
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assign (resid    8 and name C    ) (resid    9 and name N    )
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       (resid   14 and name C    ) (resid   15 and name N    )    1.0  152.7   33.2 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -120.5   30.7 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  132.7   27.7 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -69.8   28.2 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  124.4   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -100.4   39.6 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -35.1   45.5 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0 -146.0   48.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  156.0   24.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -130.8   34.3 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  144.4   40.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -133.6   60.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  147.5   60.1 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0 -121.4   66.6 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  130.5   40.5 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0 -132.6   31.9 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  123.0   20.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0   52.0   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0   43.0   20.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0   78.3   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0    3.0   27.4 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0 -111.4   36.2 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  144.0   27.9 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -96.9   45.6 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  133.9   32.8 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0 -114.0   37.7 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  147.2   27.7 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -127.8   23.5 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  153.0   26.1 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0 -127.9   29.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  137.5   30.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name OG1  )    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 SG   )    1.0  -60.0   30.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name SG   )    1.0  -60.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name OG1  )    1.0  -60.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    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 OG   )    1.0   60.0   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name OG   )    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 CG1  )    1.0   60.0   30.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name CB   ) (resid   20 and name SG   )    1.0  -60.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name CB   ) (resid   22 and name CG1  )    1.0  -60.0   30.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name OG   )    1.0   60.0   30.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name CG   )    1.0  -60.0   30.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name CB   ) (resid   30 and name SG   )    1.0   60.0   30.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name CA   ) (resid   14 and name CB   )
       (resid   14 and name CG   ) (resid   14 and name CD   )    1.0  200.0   50.0 2
assign ( don and resid 2 and name HN  ) (acc and resid 32 and name O  )
assign ( acc and resid 30 and name O  ) (don and resid 4 and name HN  )
assign ( acc and resid 28 and name O  ) (don and resid 6 and name HN  )
assign ( acc and resid 11 and name O  ) (don and resid 14 and name HN  )
assign ( acc and resid 31 and name O  ) (don and resid 15 and name HN  )
assign ( acc and resid 29 and name O  ) (don and resid 17 and name HN  )
assign ( acc and resid 27 and name O  ) (don and resid 20 and name HN  )
assign ( acc and resid 25 and name O  ) (don and resid 22 and name HN  )
assign ( acc and resid 22 and name O  ) (don and resid 25 and name HN  )
assign ( acc and resid 20 and name O  ) (don and resid 27 and name HN  )
assign ( acc and resid 6 and name O  ) (don and resid 28 and name HN  )
assign ( acc and resid 18 and name O  ) (don and resid 29 and name HN  )
assign ( acc and resid 4 and name O  ) (don and resid 30 and name HN  )
assign ( acc and resid 15 and name O  ) (don and resid 31 and name HN  )
assign ( acc and resid 2 and name O  ) (don and resid 32 and name HN  )

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1HT      ALA   1  -1.457 -14.067   5.791
    2    H2   ALA   1           2HT      ALA   1  -2.832 -13.918   4.806
    3    H3   ALA   1           3HT      ALA   1  -2.639 -12.908   6.158
    4    HA   ALA   1           HA       ALA   1  -0.485 -12.817   4.220
    5    HB1  ALA   1           2HB      ALA   1  -3.320 -12.011   3.602
    6    HB2  ALA   1           3HB      ALA   1  -2.163 -12.858   2.575
    7    HB3  ALA   1           1HB      ALA   1  -1.963 -11.135   2.892
    8    H    THR   2           H        THR   2  -0.161 -10.328   3.827
    9    HA   THR   2           HA       THR   2  -0.657  -8.914   6.373
   10    HB   THR   2           HB       THR   2   1.832  -8.935   4.655
   11    HG1  THR   2           1HG      THR   2   1.266 -10.558   6.397
   12   HG21  THR   2          3HG2      THR   2   2.394  -7.461   6.915
   13   HG22  THR   2          1HG2      THR   2   0.763  -6.927   6.508
   14   HG23  THR   2          2HG2      THR   2   2.059  -6.785   5.321
   15    H    CYS   3           H        CYS   3  -2.110  -7.418   5.952
   16    HA   CYS   3           HA       CYS   3  -2.263  -6.103   3.370
   17    HB2  CYS   3           2HB      CYS   3  -3.842  -5.781   5.931
   18    HB3  CYS   3           1HB      CYS   3  -4.182  -4.919   4.435
   19    H    TYR   4           H        TYR   4  -1.560  -4.081   2.901
   20    HA   TYR   4           HA       TYR   4  -1.022  -2.119   4.931
   21    HB2  TYR   4           2HB      TYR   4   1.384  -1.928   4.568
   22    HB3  TYR   4           1HB      TYR   4   0.989  -3.546   5.150
   23    HD1  TYR   4           1HD      TYR   4   1.111  -5.492   3.668
   24    HD2  TYR   4           2HD      TYR   4   2.068  -1.549   2.257
   25    HE1  TYR   4           1HE      TYR   4   2.161  -6.468   1.644
   26    HE2  TYR   4           2HE      TYR   4   3.118  -2.526   0.236
   27    HH   TYR   4           HH       TYR   4   3.661  -5.957  -0.075
   28    H    CYS   5           H        CYS   5  -0.416  -0.040   4.015
   29    HA   CYS   5           HA       CYS   5  -1.353   0.207   1.252
   30    HB2  CYS   5           2HB      CYS   5  -0.589   2.529   2.992
   31    HB3  CYS   5           1HB      CYS   5  -1.771   2.440   1.712
   32    H    ARG   6           H        ARG   6  -0.158   1.179  -0.390
   33    HA   ARG   6           HA       ARG   6   2.643   1.860   0.170
   34    HB2  ARG   6           2HB      ARG   6   3.469   0.484  -1.646
   35    HB3  ARG   6           1HB      ARG   6   2.581  -0.534  -0.513
   36    HG2  ARG   6           2HG      ARG   6   0.791  -0.828  -1.962
   37    HG3  ARG   6           1HG      ARG   6   1.122   0.658  -2.851
   38    HD2  ARG   6           2HD      ARG   6   3.040  -1.667  -2.866
   39    HD3  ARG   6           1HD      ARG   6   1.725  -1.534  -4.029
   40    HE   ARG   6           HE       ARG   6   2.841   0.813  -4.420
   41   HH11  ARG   6          1HH2      ARG   6   4.358  -2.228  -3.754
   42   HH12  ARG   6          2HH2      ARG   6   5.810  -1.848  -4.616
   43   HH21  ARG   6          1HH1      ARG   6   4.741   1.312  -5.558
   44   HH22  ARG   6          2HH1      ARG   6   6.027   0.154  -5.638
   45    H    THR   7           H        THR   7   3.661   3.089  -1.559
   46    HA   THR   7           HA       THR   7   1.750   4.853  -2.865
   47    HB   THR   7           HB       THR   7   3.447   6.188  -2.117
   48    HG1  THR   7           1HG      THR   7   3.847   6.779  -4.094
   49   HG21  THR   7          3HG2      THR   7   5.876   5.334  -2.131
   50   HG22  THR   7          1HG2      THR   7   5.186   3.751  -2.491
   51   HG23  THR   7          2HG2      THR   7   4.764   4.576  -0.991
   52    H    GLY   8           H        GLY   8   1.068   2.830  -4.164
   53    HA2  GLY   8           2HA      GLY   8   1.204   2.982  -6.760
   54    HA3  GLY   8           1HA      GLY   8   2.830   2.370  -6.477
   55    H    ARG   9           H        ARG   9   1.875   0.636  -7.934
   56    HA   ARG   9           HA       ARG   9  -0.043  -1.178  -6.829
   57    HB2  ARG   9           2HB      ARG   9   1.690  -1.107  -9.236
   58    HB3  ARG   9           1HB      ARG   9   1.147  -2.693  -8.684
   59    HG2  ARG   9           2HG      ARG   9  -1.206  -1.671  -8.569
   60    HG3  ARG   9           1HG      ARG   9  -0.541  -0.327  -9.504
   61    HD2  ARG   9           2HD      ARG   9  -0.346  -3.228 -10.314
   62    HD3  ARG   9           1HD      ARG   9  -1.582  -2.125 -10.913
   63    HE   ARG   9           HE       ARG   9   1.165  -2.240 -11.764
   64   HH11  ARG   9          1HH2      ARG   9  -1.584  -0.196 -11.271
   65   HH12  ARG   9          2HH2      ARG   9  -1.103   0.970 -12.458
   66   HH21  ARG   9          1HH1      ARG   9   1.799  -0.714 -13.330
   67   HH22  ARG   9          2HH1      ARG   9   0.810   0.678 -13.622
   68    H    CYS  10           H        CYS  10   0.361  -3.391  -6.243
   69    HA   CYS  10           HA       CYS  10   2.910  -3.656  -4.774
   70    HB2  CYS  10           2HB      CYS  10   0.131  -4.609  -4.296
   71    HB3  CYS  10           1HB      CYS  10   1.449  -5.630  -3.734
   72    H    ALA  11           H        ALA  11   2.931  -6.372  -4.353
   73    HA   ALA  11           HA       ALA  11   3.854  -7.308  -6.942
   74    HB1  ALA  11           1HB      ALA  11   5.233  -8.603  -5.735
   75    HB2  ALA  11           2HB      ALA  11   3.893  -9.288  -4.815
   76    HB3  ALA  11           3HB      ALA  11   4.627  -7.767  -4.304
   77    H    THR  12           H        THR  12   3.294  -9.510  -7.691
   78    HA   THR  12           HA       THR  12   0.521  -9.779  -8.099
   79    HB   THR  12           HB       THR  12   2.734 -11.811  -8.462
   80    HG1  THR  12           1HG      THR  12   2.669 -11.069 -10.579
   81   HG21  THR  12          3HG2      THR  12   1.054 -12.775 -10.112
   82   HG22  THR  12          1HG2      THR  12  -0.154 -11.739  -9.352
   83   HG23  THR  12          2HG2      THR  12   0.654 -12.991  -8.408
   84    H    ARG  13           H        ARG  13   2.748 -11.484  -5.936
   85    HA   ARG  13           HA       ARG  13   0.975 -13.393  -4.914
   86    HB2  ARG  13           2HB      ARG  13   3.323 -11.989  -3.618
   87    HB3  ARG  13           1HB      ARG  13   2.489 -13.369  -2.906
   88    HG2  ARG  13           2HG      ARG  13   3.554 -13.517  -5.719
   89    HG3  ARG  13           1HG      ARG  13   4.616 -13.816  -4.343
   90    HD2  ARG  13           2HD      ARG  13   2.989 -15.533  -3.528
   91    HD3  ARG  13           1HD      ARG  13   2.052 -15.296  -4.998
   92    HE   ARG  13           HE       ARG  13   4.751 -16.478  -4.844
   93   HH11  ARG  13          1HH2      ARG  13   1.876 -15.672  -6.614
   94   HH12  ARG  13          2HH2      ARG  13   2.270 -16.682  -7.964
   95   HH21  ARG  13          1HH1      ARG  13   5.262 -17.790  -6.613
   96   HH22  ARG  13          2HH1      ARG  13   4.183 -17.877  -7.966
   97    H    GLU  14           H        GLU  14   1.319  -9.981  -4.248
   98    HA   GLU  14           HA       GLU  14  -0.184  -9.985  -1.804
   99    HB2  GLU  14           2HB      GLU  14  -0.020  -7.545  -3.504
  100    HB3  GLU  14           1HB      GLU  14   0.183  -7.728  -1.761
  101    HG2  GLU  14           2HG      GLU  14   2.286  -9.188  -2.601
  102    HG3  GLU  14           1HG      GLU  14   2.170  -8.042  -3.934
  103    H    SER  15           H        SER  15  -2.202  -8.557  -1.666
  104    HA   SER  15           HA       SER  15  -3.944  -8.889  -4.013
  105    HB2  SER  15           2HB      SER  15  -5.750  -9.624  -2.327
  106    HB3  SER  15           1HB      SER  15  -4.550 -10.791  -2.843
  107    HG   SER  15           HG       SER  15  -4.344 -10.987  -0.735
  108    H    LEU  16           H        LEU  16  -5.198  -7.211  -4.371
  109    HA   LEU  16           HA       LEU  16  -5.015  -4.905  -2.666
  110    HB2  LEU  16           2HB      LEU  16  -5.710  -5.395  -5.374
  111    HB3  LEU  16           1HB      LEU  16  -7.082  -4.586  -4.615
  112    HG   LEU  16           HG       LEU  16  -5.430  -2.970  -5.551
  113   HD11  LEU  16          1HD1      LEU  16  -6.215  -1.634  -3.921
  114   HD12  LEU  16          2HD1      LEU  16  -4.951  -2.229  -2.844
  115   HD13  LEU  16          3HD1      LEU  16  -6.518  -3.035  -2.894
  116   HD21  LEU  16          3HD2      LEU  16  -3.558  -4.742  -4.519
  117   HD22  LEU  16          1HD2      LEU  16  -3.475  -3.377  -3.404
  118   HD23  LEU  16          2HD2      LEU  16  -3.210  -3.126  -5.130
  119    H    SER  17           H        SER  17  -6.301  -4.334  -1.063
  120    HA   SER  17           HA       SER  17  -8.862  -5.766  -0.729
  121    HB2  SER  17           2HB      SER  17  -8.636  -5.386   1.627
  122    HB3  SER  17           1HB      SER  17  -7.088  -5.994   1.052
  123    HG   SER  17           HG       SER  17  -7.641  -3.233   1.156
  124    H    GLY  18           H        GLY  18  -7.412  -2.673  -1.219
  125    HA2  GLY  18           2HA      GLY  18  -9.698  -1.304  -1.919
  126    HA3  GLY  18           1HA      GLY  18  -9.550  -1.076  -0.179
  127    H    VAL  19           H        VAL  19  -9.430   1.199  -1.374
  128    HA   VAL  19           HA       VAL  19  -6.648   1.842  -2.080
  129    HB   VAL  19           HB       VAL  19  -8.046   2.866  -3.637
  130   HG11  VAL  19          1HG1      VAL  19  -9.940   2.886  -1.358
  131   HG12  VAL  19          2HG1      VAL  19 -10.241   2.582  -3.069
  132   HG13  VAL  19          3HG1      VAL  19 -10.092   4.238  -2.479
  133   HG21  VAL  19          3HG2      VAL  19  -8.091   5.024  -1.526
  134   HG22  VAL  19          1HG2      VAL  19  -7.840   5.193  -3.263
  135   HG23  VAL  19          2HG2      VAL  19  -6.573   4.498  -2.253
  136    H    CYS  20           H        CYS  20  -5.339   2.515  -0.545
  137    HA   CYS  20           HA       CYS  20  -6.265   3.324   2.065
  138    HB2  CYS  20           2HB      CYS  20  -3.630   2.873   0.737
  139    HB3  CYS  20           1HB      CYS  20  -3.676   3.805   2.233
  140    H    GLU  21           H        GLU  21  -4.972   5.313   3.007
  141    HA   GLU  21           HA       GLU  21  -4.858   7.553   1.122
  142    HB2  GLU  21           2HB      GLU  21  -7.190   7.517   1.912
  143    HB3  GLU  21           1HB      GLU  21  -6.622   7.561   3.582
  144    HG2  GLU  21           2HG      GLU  21  -5.520   9.723   3.156
  145    HG3  GLU  21           1HG      GLU  21  -6.078   9.682   1.485
  146    H    ILE  22           H        ILE  22  -2.808   8.199   1.483
  147    HA   ILE  22           HA       ILE  22  -2.017   8.712   4.286
  148    HB   ILE  22           HB       ILE  22  -0.269   7.551   2.100
  149   HG12  ILE  22          2HG1      ILE  22  -0.948   6.254   4.738
  150   HG13  ILE  22          1HG1      ILE  22  -2.043   6.087   3.366
  151   HG21  ILE  22          1HG2      ILE  22   0.764   7.478   4.812
  152   HG22  ILE  22          2HG2      ILE  22   0.411   9.136   4.326
  153   HG23  ILE  22          3HG2      ILE  22   1.506   8.149   3.359
  154   HD11  ILE  22          3HD1      ILE  22   0.209   4.523   3.867
  155   HD12  ILE  22          1HD1      ILE  22   0.731   5.632   2.598
  156   HD13  ILE  22          2HD1      ILE  22  -0.683   4.609   2.347
  157    H    SER  23           H        SER  23  -1.107  10.678   4.654
  158    HA   SER  23           HA       SER  23  -0.417  12.837   4.256
  159    HB2  SER  23           2HB      SER  23   1.383  13.063   2.831
  160    HB3  SER  23           1HB      SER  23   1.362  11.311   3.009
  161    HG   SER  23           HG       SER  23   0.610  11.110   1.021
  162    H    GLY  24           H        GLY  24  -3.037  11.855   3.217
  163    HA2  GLY  24           2HA      GLY  24  -4.820  12.988   2.237
  164    HA3  GLY  24           1HA      GLY  24  -3.689  14.204   1.650
  165    H    ARG  25           H        ARG  25  -2.226  11.498   0.765
  166    HA   ARG  25           HA       ARG  25  -3.403  11.550  -1.919
  167    HB2  ARG  25           2HB      ARG  25  -1.037  11.942  -1.910
  168    HB3  ARG  25           1HB      ARG  25  -0.756  10.537  -0.887
  169    HG2  ARG  25           2HG      ARG  25  -1.609   9.059  -2.678
  170    HG3  ARG  25           1HG      ARG  25  -1.883  10.469  -3.701
  171    HD2  ARG  25           2HD      ARG  25   0.557  10.997  -3.539
  172    HD3  ARG  25           1HD      ARG  25   0.786   9.500  -2.640
  173    HE   ARG  25           HE       ARG  25  -0.535   9.119  -5.182
  174   HH11  ARG  25          1HH2      ARG  25   2.474   9.451  -3.509
  175   HH12  ARG  25          2HH2      ARG  25   3.390   8.583  -4.694
  176   HH21  ARG  25          1HH1      ARG  25   0.659   7.972  -6.742
  177   HH22  ARG  25          2HH1      ARG  25   2.362   7.745  -6.525
  178    H    LEU  26           H        LEU  26  -4.172   9.749  -2.935
  179    HA   LEU  26           HA       LEU  26  -5.185   7.663  -1.263
  180    HB2  LEU  26           2HB      LEU  26  -6.260   6.845  -3.226
  181    HB3  LEU  26           1HB      LEU  26  -6.283   8.604  -3.357
  182    HG   LEU  26           HG       LEU  26  -3.920   8.099  -4.562
  183   HD11  LEU  26          1HD1      LEU  26  -3.836   6.071  -5.684
  184   HD12  LEU  26          2HD1      LEU  26  -5.587   5.859  -5.646
  185   HD13  LEU  26          3HD1      LEU  26  -4.630   5.568  -4.193
  186   HD21  LEU  26          3HD2      LEU  26  -5.340   8.059  -6.733
  187   HD22  LEU  26          1HD2      LEU  26  -5.519   9.446  -5.659
  188   HD23  LEU  26          2HD2      LEU  26  -6.731   8.164  -5.653
  189    H    TYR  27           H        TYR  27  -4.317   5.770  -0.767
  190    HA   TYR  27           HA       TYR  27  -1.909   4.877  -2.233
  191    HB2  TYR  27           2HB      TYR  27  -2.607   4.853   0.657
  192    HB3  TYR  27           1HB      TYR  27  -1.636   3.538   0.001
  193    HD1  TYR  27           1HD      TYR  27  -1.808   7.269  -0.439
  194    HD2  TYR  27           2HD      TYR  27   0.631   3.798   0.193
  195    HE1  TYR  27           1HE      TYR  27   0.225   8.693  -0.433
  196    HE2  TYR  27           2HE      TYR  27   2.660   5.219   0.191
  197    HH   TYR  27           HH       TYR  27   2.677   8.395   0.658
  198    H    ARG  28           H        ARG  28  -1.607   2.520  -2.316
  199    HA   ARG  28           HA       ARG  28  -4.208   1.184  -2.715
  200    HB2  ARG  28           2HB      ARG  28  -1.428   0.600  -3.765
  201    HB3  ARG  28           1HB      ARG  28  -2.800  -0.485  -3.996
  202    HG2  ARG  28           2HG      ARG  28  -4.036   1.287  -5.156
  203    HG3  ARG  28           1HG      ARG  28  -2.708   2.417  -4.879
  204    HD2  ARG  28           2HD      ARG  28  -1.206   1.019  -6.212
  205    HD3  ARG  28           1HD      ARG  28  -2.482  -0.171  -6.443
  206    HE   ARG  28           HE       ARG  28  -3.711   1.776  -7.578
  207   HH11  ARG  28          1HH2      ARG  28  -0.259   1.395  -7.506
  208   HH12  ARG  28          2HH2      ARG  28  -0.006   2.258  -8.986
  209   HH21  ARG  28          1HH1      ARG  28  -3.369   2.893  -9.513
  210   HH22  ARG  28          2HH1      ARG  28  -1.760   3.100 -10.120
  211    H    LEU  29           H        LEU  29  -4.799  -0.533  -1.490
  212    HA   LEU  29           HA       LEU  29  -2.926  -1.387   0.614
  213    HB2  LEU  29           2HB      LEU  29  -5.085  -0.556   1.405
  214    HB3  LEU  29           1HB      LEU  29  -5.928  -1.709   0.371
  215    HG   LEU  29           HG       LEU  29  -4.990  -3.587   1.609
  216   HD11  LEU  29          1HD1      LEU  29  -3.305  -1.407   2.772
  217   HD12  LEU  29          2HD1      LEU  29  -2.862  -3.058   2.335
  218   HD13  LEU  29          3HD1      LEU  29  -3.747  -2.748   3.829
  219   HD21  LEU  29          3HD2      LEU  29  -6.351  -3.363   3.476
  220   HD22  LEU  29          1HD2      LEU  29  -6.954  -2.020   2.504
  221   HD23  LEU  29          2HD2      LEU  29  -5.804  -1.719   3.808
  222    H    CYS  30           H        CYS  30  -1.757  -3.123   0.000
  223    HA   CYS  30           HA       CYS  30  -3.175  -5.273  -1.439
  224    HB2  CYS  30           2HB      CYS  30  -0.970  -5.996  -2.244
  225    HB3  CYS  30           1HB      CYS  30  -1.325  -4.347  -2.721
  226    H    CYS  31           H        CYS  31  -2.908  -7.465  -0.712
  227    HA   CYS  31           HA       CYS  31  -1.672  -7.670   1.962
  228    HB2  CYS  31           2HB      CYS  31  -4.160  -9.099   1.028
  229    HB3  CYS  31           1HB      CYS  31  -3.445  -9.168   2.626
  230    H    ARG  32           H        ARG  32  -0.277  -9.316   2.239
  231    HA   ARG  32           HA       ARG  32  -0.253 -11.466   0.224
  232    HB2  ARG  32           2HB      ARG  32   2.177 -11.326   0.083
  233    HB3  ARG  32           1HB      ARG  32   1.441  -9.787  -0.371
  234    HG2  ARG  32           2HG      ARG  32   1.715  -9.307   2.237
  235    HG3  ARG  32           1HG      ARG  32   3.015 -10.488   2.065
  236    HD2  ARG  32           2HD      ARG  32   2.710  -8.125   0.214
  237    HD3  ARG  32           1HD      ARG  32   3.668  -8.049   1.690
  238    HE   ARG  32           HE       ARG  32   4.474 -10.295   0.160
  239   HH11  ARG  32          1HH2      ARG  32   4.538  -6.833   0.193
  240   HH12  ARG  32          2HH2      ARG  32   6.008  -6.713  -0.716
  241   HH21  ARG  32          1HH1      ARG  32   6.409 -10.141  -1.032
  242   HH22  ARG  32          2HH1      ARG  32   7.066  -8.583  -1.408
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  -3.175 -13.398   5.263
    2    H2   ALA   1           2HT      ALA   1  -1.946 -13.274   6.429
    3    H3   ALA   1           3HT      ALA   1  -1.812 -14.405   5.168
    4    HA   ALA   1           HA       ALA   1  -0.496 -12.823   4.274
    5    HB1  ALA   1           2HB      ALA   1  -2.499 -13.048   2.812
    6    HB2  ALA   1           3HB      ALA   1  -1.777 -11.441   2.711
    7    HB3  ALA   1           1HB      ALA   1  -3.242 -11.691   3.659
    8    H    THR   2           H        THR   2  -0.172 -10.345   3.928
    9    HA   THR   2           HA       THR   2  -0.780  -8.942   6.458
   10    HB   THR   2           HB       THR   2   1.760  -8.807   4.814
   11    HG1  THR   2           1HG      THR   2   1.836  -9.561   7.449
   12   HG21  THR   2          3HG2      THR   2   2.058  -7.679   7.395
   13   HG22  THR   2          1HG2      THR   2   0.588  -6.989   6.707
   14   HG23  THR   2          2HG2      THR   2   2.118  -6.846   5.841
   15    H    CYS   3           H        CYS   3  -2.219  -7.449   5.990
   16    HA   CYS   3           HA       CYS   3  -2.287  -6.139   3.401
   17    HB2  CYS   3           2HB      CYS   3  -3.975  -5.799   5.888
   18    HB3  CYS   3           1HB      CYS   3  -4.260  -4.984   4.354
   19    H    TYR   4           H        TYR   4  -1.591  -4.117   2.952
   20    HA   TYR   4           HA       TYR   4  -1.136  -2.137   4.989
   21    HB2  TYR   4           2HB      TYR   4   1.291  -1.920   4.645
   22    HB3  TYR   4           1HB      TYR   4   0.886  -3.507   5.300
   23    HD1  TYR   4           2HD      TYR   4   1.889  -1.659   2.256
   24    HD2  TYR   4           1HD      TYR   4   1.170  -5.518   3.998
   25    HE1  TYR   4           2HE      TYR   4   2.971  -2.742   0.306
   26    HE2  TYR   4           1HE      TYR   4   2.251  -6.602   2.049
   27    HH   TYR   4           HH       TYR   4   2.861  -6.192  -0.177
   28    H    CYS   5           H        CYS   5  -0.606  -0.063   4.101
   29    HA   CYS   5           HA       CYS   5  -1.451   0.183   1.321
   30    HB2  CYS   5           2HB      CYS   5  -0.751   2.493   3.098
   31    HB3  CYS   5           1HB      CYS   5  -1.898   2.406   1.792
   32    H    ARG   6           H        ARG   6  -0.196   1.002  -0.314
   33    HA   ARG   6           HA       ARG   6   2.566   1.800   0.321
   34    HB2  ARG   6           2HB      ARG   6   3.451   0.396  -1.466
   35    HB3  ARG   6           1HB      ARG   6   2.575  -0.604  -0.307
   36    HG2  ARG   6           2HG      ARG   6   0.917  -1.108  -1.786
   37    HG3  ARG   6           1HG      ARG   6   0.975   0.467  -2.569
   38    HD2  ARG   6           2HD      ARG   6   1.796  -1.421  -4.011
   39    HD3  ARG   6           1HD      ARG   6   2.968  -0.127  -3.787
   40    HE   ARG   6           HE       ARG   6   3.200  -2.317  -1.891
   41   HH11  ARG   6          1HH2      ARG   6   4.116  -0.968  -4.944
   42   HH12  ARG   6          2HH2      ARG   6   5.587  -1.875  -5.058
   43   HH21  ARG   6          1HH1      ARG   6   5.123  -3.510  -2.037
   44   HH22  ARG   6          2HH1      ARG   6   6.159  -3.312  -3.411
   45    H    THR   7           H        THR   7   3.557   3.137  -1.271
   46    HA   THR   7           HA       THR   7   1.658   4.771  -2.729
   47    HB   THR   7           HB       THR   7   3.264   6.178  -1.912
   48    HG1  THR   7           1HG      THR   7   4.436   6.819  -3.589
   49   HG21  THR   7          3HG2      THR   7   5.760   5.341  -1.919
   50   HG22  THR   7          1HG2      THR   7   5.016   3.751  -2.076
   51   HG23  THR   7          2HG2      THR   7   4.643   4.764  -0.682
   52    H    GLY   8           H        GLY   8   0.978   3.003  -4.178
   53    HA2  GLY   8           2HA      GLY   8   1.316   3.056  -6.709
   54    HA3  GLY   8           1HA      GLY   8   2.927   2.453  -6.333
   55    H    ARG   9           H        ARG   9   1.959   0.752  -7.881
   56    HA   ARG   9           HA       ARG   9   0.041  -1.094  -6.838
   57    HB2  ARG   9           2HB      ARG   9   1.835  -0.978  -9.197
   58    HB3  ARG   9           1HB      ARG   9   1.298  -2.577  -8.683
   59    HG2  ARG   9           2HG      ARG   9  -1.076  -1.521  -8.606
   60    HG3  ARG   9           1HG      ARG   9  -0.371  -0.235  -9.589
   61    HD2  ARG   9           2HD      ARG   9  -0.284  -3.181 -10.253
   62    HD3  ARG   9           1HD      ARG   9  -1.402  -2.023 -10.965
   63    HE   ARG   9           HE       ARG   9   0.906  -0.869 -11.594
   64   HH11  ARG   9          1HH2      ARG   9  -0.007  -4.210 -11.618
   65   HH12  ARG   9          2HH2      ARG   9   1.066  -4.635 -12.909
   66   HH21  ARG   9          1HH1      ARG   9   2.314  -1.423 -13.285
   67   HH22  ARG   9          2HH1      ARG   9   2.379  -3.057 -13.853
   68    H    CYS  10           H        CYS  10   0.428  -3.292  -6.242
   69    HA   CYS  10           HA       CYS  10   2.953  -3.593  -4.739
   70    HB2  CYS  10           2HB      CYS  10   0.162  -4.580  -4.328
   71    HB3  CYS  10           1HB      CYS  10   1.498  -5.548  -3.707
   72    H    ALA  11           H        ALA  11   2.976  -6.298  -4.337
   73    HA   ALA  11           HA       ALA  11   3.946  -7.238  -6.898
   74    HB1  ALA  11           1HB      ALA  11   4.570  -7.763  -4.228
   75    HB2  ALA  11           2HB      ALA  11   5.238  -8.576  -5.644
   76    HB3  ALA  11           3HB      ALA  11   3.836  -9.256  -4.816
   77    H    THR  12           H        THR  12   3.322  -9.324  -7.793
   78    HA   THR  12           HA       THR  12   0.556  -9.527  -8.240
   79    HB   THR  12           HB       THR  12   2.723 -11.599  -8.678
   80    HG1  THR  12           1HG      THR  12   2.819  -9.463  -9.738
   81   HG21  THR  12          3HG2      THR  12   0.617 -12.722  -8.761
   82   HG22  THR  12          1HG2      THR  12   1.055 -12.391 -10.437
   83   HG23  THR  12          2HG2      THR  12  -0.138 -11.381  -9.622
   84    H    ARG  13           H        ARG  13   2.712 -11.351  -6.117
   85    HA   ARG  13           HA       ARG  13   0.883 -13.273  -5.218
   86    HB2  ARG  13           2HB      ARG  13   3.207 -11.981  -3.771
   87    HB3  ARG  13           1HB      ARG  13   2.363 -13.428  -3.221
   88    HG2  ARG  13           2HG      ARG  13   3.591 -13.253  -5.975
   89    HG3  ARG  13           1HG      ARG  13   4.519 -13.790  -4.576
   90    HD2  ARG  13           2HD      ARG  13   2.719 -15.511  -4.154
   91    HD3  ARG  13           1HD      ARG  13   2.004 -15.051  -5.695
   92    HE   ARG  13           HE       ARG  13   4.818 -15.875  -5.705
   93   HH11  ARG  13          1HH2      ARG  13   1.477 -16.540  -6.323
   94   HH12  ARG  13          2HH2      ARG  13   1.797 -17.870  -7.385
   95   HH21  ARG  13          1HH1      ARG  13   5.244 -17.618  -7.090
   96   HH22  ARG  13          2HH1      ARG  13   3.930 -18.482  -7.819
   97    H    GLU  14           H        GLU  14   1.344  -9.921  -4.329
   98    HA   GLU  14           HA       GLU  14  -0.199 -10.004  -1.928
   99    HB2  GLU  14           2HB      GLU  14   0.006  -7.488  -3.522
  100    HB3  GLU  14           1HB      GLU  14   0.188  -7.746  -1.784
  101    HG2  GLU  14           2HG      GLU  14   2.287  -9.173  -2.606
  102    HG3  GLU  14           1HG      GLU  14   2.186  -8.048  -3.958
  103    H    SER  15           H        SER  15  -2.235  -8.702  -1.676
  104    HA   SER  15           HA       SER  15  -3.989  -8.913  -4.039
  105    HB2  SER  15           2HB      SER  15  -5.774  -9.679  -2.385
  106    HB3  SER  15           1HB      SER  15  -4.546 -10.830  -2.872
  107    HG   SER  15           HG       SER  15  -5.110 -10.394  -0.485
  108    H    LEU  16           H        LEU  16  -5.258  -7.235  -4.349
  109    HA   LEU  16           HA       LEU  16  -5.030  -4.949  -2.607
  110    HB2  LEU  16           2HB      LEU  16  -5.674  -5.353  -5.318
  111    HB3  LEU  16           1HB      LEU  16  -7.115  -4.653  -4.579
  112    HG   LEU  16           HG       LEU  16  -5.586  -2.887  -5.383
  113   HD11  LEU  16          1HD1      LEU  16  -5.083  -2.177  -2.720
  114   HD12  LEU  16          2HD1      LEU  16  -6.502  -3.221  -2.642
  115   HD13  LEU  16          3HD1      LEU  16  -6.524  -1.779  -3.656
  116   HD21  LEU  16          3HD2      LEU  16  -3.529  -3.124  -3.388
  117   HD22  LEU  16          1HD2      LEU  16  -3.356  -3.105  -5.142
  118   HD23  LEU  16          2HD2      LEU  16  -3.614  -4.632  -4.298
  119    H    SER  17           H        SER  17  -6.337  -4.363  -1.004
  120    HA   SER  17           HA       SER  17  -8.885  -5.826  -0.695
  121    HB2  SER  17           2HB      SER  17  -8.678  -5.471   1.666
  122    HB3  SER  17           1HB      SER  17  -7.127  -6.068   1.089
  123    HG   SER  17           HG       SER  17  -6.822  -4.283   2.410
  124    H    GLY  18           H        GLY  18  -7.455  -2.708  -1.114
  125    HA2  GLY  18           2HA      GLY  18  -9.766  -1.365  -1.815
  126    HA3  GLY  18           1HA      GLY  18  -9.603  -1.134  -0.075
  127    H    VAL  19           H        VAL  19  -9.505   1.144  -1.270
  128    HA   VAL  19           HA       VAL  19  -6.737   1.803  -2.015
  129    HB   VAL  19           HB       VAL  19  -8.142   2.864  -3.540
  130   HG11  VAL  19          1HG1      VAL  19 -10.047   3.160  -1.207
  131   HG12  VAL  19          2HG1      VAL  19 -10.282   2.229  -2.686
  132   HG13  VAL  19          3HG1      VAL  19 -10.304   3.992  -2.742
  133   HG21  VAL  19          3HG2      VAL  19  -8.087   5.201  -3.064
  134   HG22  VAL  19          1HG2      VAL  19  -6.731   4.514  -2.167
  135   HG23  VAL  19          2HG2      VAL  19  -8.228   4.921  -1.328
  136    H    CYS  20           H        CYS  20  -5.398   2.645  -0.575
  137    HA   CYS  20           HA       CYS  20  -6.331   3.428   2.071
  138    HB2  CYS  20           2HB      CYS  20  -3.705   2.869   0.775
  139    HB3  CYS  20           1HB      CYS  20  -3.741   3.797   2.273
  140    H    GLU  21           H        GLU  21  -5.035   5.385   3.007
  141    HA   GLU  21           HA       GLU  21  -4.831   7.587   1.078
  142    HB2  GLU  21           2HB      GLU  21  -7.150   7.656   1.895
  143    HB3  GLU  21           1HB      GLU  21  -6.568   7.680   3.561
  144    HG2  GLU  21           2HG      GLU  21  -5.375   9.792   3.117
  145    HG3  GLU  21           1HG      GLU  21  -5.955   9.770   1.452
  146    H    ILE  22           H        ILE  22  -2.788   8.229   1.388
  147    HA   ILE  22           HA       ILE  22  -1.918   8.752   4.161
  148    HB   ILE  22           HB       ILE  22  -0.243   7.509   1.968
  149   HG12  ILE  22          2HG1      ILE  22  -0.989   6.304   4.642
  150   HG13  ILE  22          1HG1      ILE  22  -2.007   6.077   3.221
  151   HG21  ILE  22          1HG2      ILE  22   1.305   8.737   3.194
  152   HG22  ILE  22          2HG2      ILE  22   1.263   7.248   4.140
  153   HG23  ILE  22          3HG2      ILE  22   0.348   8.657   4.674
  154   HD11  ILE  22          3HD1      ILE  22   0.199   4.535   3.907
  155   HD12  ILE  22          1HD1      ILE  22   0.809   5.597   2.637
  156   HD13  ILE  22          2HD1      ILE  22  -0.596   4.569   2.333
  157    H    SER  23           H        SER  23  -0.951  10.697   4.471
  158    HA   SER  23           HA       SER  23  -0.223  12.831   4.021
  159    HB2  SER  23           2HB      SER  23   1.541  13.001   2.547
  160    HB3  SER  23           1HB      SER  23   1.488  11.254   2.747
  161    HG   SER  23           HG       SER  23   0.822  11.058   0.755
  162    H    GLY  24           H        GLY  24  -2.889  11.890   3.068
  163    HA2  GLY  24           2HA      GLY  24  -4.673  13.066   2.141
  164    HA3  GLY  24           1HA      GLY  24  -3.528  14.227   1.475
  165    H    ARG  25           H        ARG  25  -2.126  11.535   0.545
  166    HA   ARG  25           HA       ARG  25  -3.471  11.520  -2.057
  167    HB2  ARG  25           2HB      ARG  25  -1.057  11.907  -2.070
  168    HB3  ARG  25           1HB      ARG  25  -0.797  10.390  -1.213
  169    HG2  ARG  25           2HG      ARG  25  -1.739   9.127  -3.074
  170    HG3  ARG  25           1HG      ARG  25  -2.145  10.621  -3.919
  171    HD2  ARG  25           2HD      ARG  25   0.666   9.837  -3.132
  172    HD3  ARG  25           1HD      ARG  25  -0.023   9.535  -4.721
  173    HE   ARG  25           HE       ARG  25  -0.387  12.107  -4.683
  174   HH11  ARG  25          1HH2      ARG  25   2.236  10.362  -3.234
  175   HH12  ARG  25          2HH2      ARG  25   3.359  11.671  -3.375
  176   HH21  ARG  25          1HH1      ARG  25   1.091  13.818  -4.873
  177   HH22  ARG  25          2HH1      ARG  25   2.715  13.623  -4.303
  178    H    LEU  26           H        LEU  26  -4.175   9.631  -3.052
  179    HA   LEU  26           HA       LEU  26  -5.170   7.621  -1.257
  180    HB2  LEU  26           2HB      LEU  26  -5.252   7.945  -4.256
  181    HB3  LEU  26           1HB      LEU  26  -5.951   6.553  -3.431
  182    HG   LEU  26           HG       LEU  26  -6.657   9.431  -2.794
  183   HD11  LEU  26          1HD1      LEU  26  -7.681   7.512  -4.815
  184   HD12  LEU  26          2HD1      LEU  26  -7.727   9.275  -4.814
  185   HD13  LEU  26          3HD1      LEU  26  -8.905   8.361  -3.870
  186   HD21  LEU  26          3HD2      LEU  26  -7.217   6.834  -1.584
  187   HD22  LEU  26          1HD2      LEU  26  -8.696   7.694  -2.013
  188   HD23  LEU  26          2HD2      LEU  26  -7.513   8.450  -0.945
  189    H    TYR  27           H        TYR  27  -4.347   5.688  -0.783
  190    HA   TYR  27           HA       TYR  27  -1.929   4.785  -2.224
  191    HB2  TYR  27           2HB      TYR  27  -2.634   4.791   0.665
  192    HB3  TYR  27           1HB      TYR  27  -1.667   3.461   0.026
  193    HD1  TYR  27           2HD      TYR  27  -1.818   7.170  -0.593
  194    HD2  TYR  27           1HD      TYR  27   0.605   3.744   0.325
  195    HE1  TYR  27           2HE      TYR  27   0.214   8.593  -0.601
  196    HE2  TYR  27           1HE      TYR  27   2.632   5.171   0.308
  197    HH   TYR  27           HH       TYR  27   2.870   8.021   0.752
  198    H    ARG  28           H        ARG  28  -1.612   2.410  -2.226
  199    HA   ARG  28           HA       ARG  28  -4.212   1.076  -2.657
  200    HB2  ARG  28           2HB      ARG  28  -1.421   0.455  -3.675
  201    HB3  ARG  28           1HB      ARG  28  -2.821  -0.581  -3.954
  202    HG2  ARG  28           2HG      ARG  28  -2.897   0.716  -5.871
  203    HG3  ARG  28           1HG      ARG  28  -3.902   1.692  -4.802
  204    HD2  ARG  28           2HD      ARG  28  -1.955   3.073  -4.210
  205    HD3  ARG  28           1HD      ARG  28  -0.930   2.089  -5.251
  206    HE   ARG  28           HE       ARG  28  -1.824   3.191  -7.100
  207   HH11  ARG  28          1HH2      ARG  28  -3.670   3.807  -4.239
  208   HH12  ARG  28          2HH2      ARG  28  -4.637   5.048  -4.964
  209   HH21  ARG  28          1HH1      ARG  28  -3.088   4.817  -8.057
  210   HH22  ARG  28          2HH1      ARG  28  -4.307   5.620  -7.125
  211    H    LEU  29           H        LEU  29  -4.816  -0.602  -1.402
  212    HA   LEU  29           HA       LEU  29  -2.951  -1.467   0.707
  213    HB2  LEU  29           2HB      LEU  29  -5.097  -0.623   1.485
  214    HB3  LEU  29           1HB      LEU  29  -5.951  -1.768   0.451
  215    HG   LEU  29           HG       LEU  29  -5.043  -3.655   1.699
  216   HD11  LEU  29          1HD1      LEU  29  -3.346  -1.480   2.877
  217   HD12  LEU  29          2HD1      LEU  29  -2.887  -3.109   2.378
  218   HD13  LEU  29          3HD1      LEU  29  -3.759  -2.863   3.891
  219   HD21  LEU  29          3HD2      LEU  29  -5.852  -1.669   3.821
  220   HD22  LEU  29          1HD2      LEU  29  -6.304  -3.365   3.673
  221   HD23  LEU  29          2HD2      LEU  29  -7.014  -2.163   2.593
  222    H    CYS  30           H        CYS  30  -1.739  -3.112  -0.071
  223    HA   CYS  30           HA       CYS  30  -3.146  -5.312  -1.440
  224    HB2  CYS  30           2HB      CYS  30  -0.924  -5.993  -2.243
  225    HB3  CYS  30           1HB      CYS  30  -1.317  -4.362  -2.734
  226    H    CYS  31           H        CYS  31  -2.962  -7.467  -0.664
  227    HA   CYS  31           HA       CYS  31  -1.660  -7.679   1.984
  228    HB2  CYS  31           2HB      CYS  31  -4.087  -9.174   1.007
  229    HB3  CYS  31           1HB      CYS  31  -3.405  -9.221   2.620
  230    H    ARG  32           H        ARG  32  -0.192  -9.261   2.230
  231    HA   ARG  32           HA       ARG  32  -0.143 -11.489   0.315
  232    HB2  ARG  32           2HB      ARG  32   2.169 -11.194  -0.202
  233    HB3  ARG  32           1HB      ARG  32   1.383  -9.639  -0.473
  234    HG2  ARG  32           2HG      ARG  32   2.035  -9.312   2.105
  235    HG3  ARG  32           1HG      ARG  32   3.312 -10.442   1.650
  236    HD2  ARG  32           2HD      ARG  32   3.890  -8.977  -0.267
  237    HD3  ARG  32           1HD      ARG  32   2.658  -7.834   0.262
  238    HE   ARG  32           HE       ARG  32   4.131  -7.974   2.473
  239   HH11  ARG  32          1HH2      ARG  32   5.088  -7.837  -0.852
  240   HH12  ARG  32          2HH2      ARG  32   6.586  -7.029  -0.528
  241   HH21  ARG  32          1HH1      ARG  32   6.097  -6.918   2.900
  242   HH22  ARG  32          2HH1      ARG  32   7.158  -6.510   1.594
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1  -2.878 -13.969   5.174
    2    H2   ALA   1           2HT      ALA   1  -2.322 -13.124   6.539
    3    H3   ALA   1           3HT      ALA   1  -1.344 -14.306   5.811
    4    HA   ALA   1           HA       ALA   1  -0.503 -12.872   4.364
    5    HB1  ALA   1           2HB      ALA   1  -1.880 -11.675   2.823
    6    HB2  ALA   1           3HB      ALA   1  -3.244 -11.665   3.943
    7    HB3  ALA   1           1HB      ALA   1  -2.747 -13.171   3.172
    8    H    THR   2           H        THR   2  -0.171 -10.436   4.054
    9    HA   THR   2           HA       THR   2  -0.736  -9.003   6.573
   10    HB   THR   2           HB       THR   2   1.795  -8.978   4.907
   11    HG1  THR   2           1HG      THR   2   1.130 -10.642   6.660
   12   HG21  THR   2          3HG2      THR   2   0.657  -7.018   6.717
   13   HG22  THR   2          1HG2      THR   2   2.102  -6.903   5.713
   14   HG23  THR   2          2HG2      THR   2   2.201  -7.619   7.321
   15    H    CYS   3           H        CYS   3  -2.153  -7.483   6.118
   16    HA   CYS   3           HA       CYS   3  -2.248  -6.222   3.505
   17    HB2  CYS   3           2HB      CYS   3  -3.906  -5.892   6.012
   18    HB3  CYS   3           1HB      CYS   3  -4.180  -4.989   4.524
   19    H    TYR   4           H        TYR   4  -1.545  -4.216   3.004
   20    HA   TYR   4           HA       TYR   4  -1.035  -2.202   4.990
   21    HB2  TYR   4           2HB      TYR   4   1.379  -2.024   4.648
   22    HB3  TYR   4           1HB      TYR   4   0.972  -3.620   5.278
   23    HD1  TYR   4           2HD      TYR   4   1.940  -1.726   2.251
   24    HD2  TYR   4           1HD      TYR   4   1.253  -5.613   3.945
   25    HE1  TYR   4           2HE      TYR   4   3.002  -2.777   0.271
   26    HE2  TYR   4           1HE      TYR   4   2.314  -6.665   1.965
   27    HH   TYR   4           HH       TYR   4   4.227  -5.067  -0.156
   28    H    CYS   5           H        CYS   5  -0.601  -0.156   4.067
   29    HA   CYS   5           HA       CYS   5  -1.399   0.024   1.271
   30    HB2  CYS   5           2HB      CYS   5  -0.809   2.387   3.018
   31    HB3  CYS   5           1HB      CYS   5  -1.932   2.231   1.684
   32    H    ARG   6           H        ARG   6  -0.189   1.049  -0.331
   33    HA   ARG   6           HA       ARG   6   2.564   1.835   0.333
   34    HB2  ARG   6           2HB      ARG   6   3.499   0.488  -1.461
   35    HB3  ARG   6           1HB      ARG   6   2.600  -0.562  -0.368
   36    HG2  ARG   6           2HG      ARG   6   0.914  -0.944  -1.886
   37    HG3  ARG   6           1HG      ARG   6   1.141   0.597  -2.710
   38    HD2  ARG   6           2HD      ARG   6   3.145  -1.665  -2.802
   39    HD3  ARG   6           1HD      ARG   6   1.902  -1.404  -4.023
   40    HE   ARG   6           HE       ARG   6   3.152   1.005  -3.902
   41   HH11  ARG   6          1HH2      ARG   6   4.217  -2.271  -4.224
   42   HH12  ARG   6          2HH2      ARG   6   5.613  -1.872  -5.166
   43   HH21  ARG   6          1HH1      ARG   6   4.985   1.538  -5.138
   44   HH22  ARG   6          2HH1      ARG   6   6.050   0.285  -5.683
   45    H    THR   7           H        THR   7   3.590   3.111  -1.359
   46    HA   THR   7           HA       THR   7   1.670   4.821  -2.716
   47    HB   THR   7           HB       THR   7   3.739   5.645  -1.484
   48    HG1  THR   7           1HG      THR   7   4.237   6.842  -3.735
   49   HG21  THR   7          3HG2      THR   7   5.824   5.123  -2.205
   50   HG22  THR   7          1HG2      THR   7   5.368   5.250  -3.904
   51   HG23  THR   7          2HG2      THR   7   5.031   3.767  -3.009
   52    H    GLY   8           H        GLY   8   1.011   2.887  -4.083
   53    HA2  GLY   8           2HA      GLY   8   1.221   3.018  -6.652
   54    HA3  GLY   8           1HA      GLY   8   2.858   2.446  -6.343
   55    H    ARG   9           H        ARG   9   1.696   0.780  -7.912
   56    HA   ARG   9           HA       ARG   9  -0.099  -1.118  -6.840
   57    HB2  ARG   9           2HB      ARG   9   0.318  -0.834  -9.249
   58    HB3  ARG   9           1HB      ARG   9   1.943  -1.490  -9.031
   59    HG2  ARG   9           2HG      ARG   9   1.041  -3.593  -8.220
   60    HG3  ARG   9           1HG      ARG   9  -0.600  -2.945  -8.270
   61    HD2  ARG   9           2HD      ARG   9  -0.438  -2.660 -10.681
   62    HD3  ARG   9           1HD      ARG   9   1.222  -3.237 -10.660
   63    HE   ARG   9           HE       ARG   9   0.405  -5.440 -10.191
   64   HH11  ARG   9          1HH2      ARG   9  -2.058  -3.048 -10.675
   65   HH12  ARG   9          2HH2      ARG   9  -3.317  -4.205 -10.943
   66   HH21  ARG   9          1HH1      ARG   9  -1.251  -6.956 -10.540
   67   HH22  ARG   9          2HH1      ARG   9  -2.862  -6.414 -10.866
   68    H    CYS  10           H        CYS  10   0.374  -3.355  -6.320
   69    HA   CYS  10           HA       CYS  10   2.920  -3.602  -4.835
   70    HB2  CYS  10           2HB      CYS  10   0.148  -4.608  -4.343
   71    HB3  CYS  10           1HB      CYS  10   1.511  -5.550  -3.736
   72    H    ALA  11           H        ALA  11   2.910  -6.332  -4.420
   73    HA   ALA  11           HA       ALA  11   3.826  -7.260  -7.015
   74    HB1  ALA  11           1HB      ALA  11   4.426  -7.840  -4.290
   75    HB2  ALA  11           2HB      ALA  11   5.244  -8.429  -5.738
   76    HB3  ALA  11           3HB      ALA  11   3.893  -9.335  -5.056
   77    H    THR  12           H        THR  12   3.191  -9.353  -7.879
   78    HA   THR  12           HA       THR  12   0.410  -9.595  -8.211
   79    HB   THR  12           HB       THR  12   2.605 -11.612  -8.749
   80    HG1  THR  12           1HG      THR  12   1.346 -10.332 -10.810
   81   HG21  THR  12          3HG2      THR  12   0.666 -12.908  -8.793
   82   HG22  THR  12          1HG2      THR  12   0.766 -12.353 -10.464
   83   HG23  THR  12          2HG2      THR  12  -0.338 -11.565  -9.338
   84    H    ARG  13           H        ARG  13   2.679 -11.384  -6.169
   85    HA   ARG  13           HA       ARG  13   0.926 -13.341  -5.204
   86    HB2  ARG  13           2HB      ARG  13   3.282 -11.989  -3.866
   87    HB3  ARG  13           1HB      ARG  13   2.471 -13.420  -3.232
   88    HG2  ARG  13           2HG      ARG  13   3.459 -13.403  -6.070
   89    HG3  ARG  13           1HG      ARG  13   4.588 -13.717  -4.752
   90    HD2  ARG  13           2HD      ARG  13   2.015 -15.243  -5.248
   91    HD3  ARG  13           1HD      ARG  13   3.630 -15.817  -5.650
   92    HE   ARG  13           HE       ARG  13   2.437 -15.726  -3.012
   93   HH11  ARG  13          1HH2      ARG  13   5.343 -15.766  -4.890
   94   HH12  ARG  13          2HH2      ARG  13   6.315 -16.438  -3.623
   95   HH21  ARG  13          1HH1      ARG  13   3.707 -16.607  -1.347
   96   HH22  ARG  13          2HH1      ARG  13   5.390 -16.913  -1.618
   97    H    GLU  14           H        GLU  14   1.329  -9.970  -4.346
   98    HA   GLU  14           HA       GLU  14  -0.144 -10.073  -1.904
   99    HB2  GLU  14           2HB      GLU  14  -0.036  -7.573  -3.528
  100    HB3  GLU  14           1HB      GLU  14   0.172  -7.803  -1.792
  101    HG2  GLU  14           2HG      GLU  14   2.289  -9.211  -2.674
  102    HG3  GLU  14           1HG      GLU  14   2.156  -8.030  -3.977
  103    H    SER  15           H        SER  15  -2.181  -8.640  -1.687
  104    HA   SER  15           HA       SER  15  -3.992  -9.012  -3.980
  105    HB2  SER  15           2HB      SER  15  -5.735  -9.709  -2.242
  106    HB3  SER  15           1HB      SER  15  -4.519 -10.874  -2.731
  107    HG   SER  15           HG       SER  15  -5.024 -10.285  -0.329
  108    H    LEU  16           H        LEU  16  -5.241  -7.338  -4.351
  109    HA   LEU  16           HA       LEU  16  -5.006  -4.991  -2.692
  110    HB2  LEU  16           2HB      LEU  16  -5.728  -5.517  -5.387
  111    HB3  LEU  16           1HB      LEU  16  -7.091  -4.692  -4.632
  112    HG   LEU  16           HG       LEU  16  -5.435  -3.100  -5.610
  113   HD11  LEU  16          1HD1      LEU  16  -4.932  -2.163  -3.042
  114   HD12  LEU  16          2HD1      LEU  16  -6.367  -3.169  -2.839
  115   HD13  LEU  16          3HD1      LEU  16  -6.381  -1.835  -3.992
  116   HD21  LEU  16          3HD2      LEU  16  -3.557  -4.849  -4.611
  117   HD22  LEU  16          1HD2      LEU  16  -3.493  -3.534  -3.434
  118   HD23  LEU  16          2HD2      LEU  16  -3.211  -3.204  -5.144
  119    H    SER  17           H        SER  17  -6.325  -4.305  -1.133
  120    HA   SER  17           HA       SER  17  -8.866  -5.765  -0.748
  121    HB2  SER  17           2HB      SER  17  -8.660  -5.260   1.604
  122    HB3  SER  17           1HB      SER  17  -7.136  -5.951   1.056
  123    HG   SER  17           HG       SER  17  -7.790  -3.314   1.736
  124    H    GLY  18           H        GLY  18  -7.386  -2.619  -1.085
  125    HA2  GLY  18           2HA      GLY  18  -9.673  -1.302  -1.959
  126    HA3  GLY  18           1HA      GLY  18  -9.592  -1.048  -0.217
  127    H    VAL  19           H        VAL  19  -9.445   1.215  -1.440
  128    HA   VAL  19           HA       VAL  19  -6.642   1.869  -2.052
  129    HB   VAL  19           HB       VAL  19  -7.971   2.868  -3.683
  130   HG11  VAL  19          1HG1      VAL  19 -10.184   2.477  -3.176
  131   HG12  VAL  19          2HG1      VAL  19 -10.119   4.182  -2.728
  132   HG13  VAL  19          3HG1      VAL  19  -9.987   2.937  -1.485
  133   HG21  VAL  19          3HG2      VAL  19  -6.653   4.534  -2.099
  134   HG22  VAL  19          1HG2      VAL  19  -8.277   5.086  -1.692
  135   HG23  VAL  19          2HG2      VAL  19  -7.715   5.154  -3.363
  136    H    CYS  20           H        CYS  20  -5.405   2.538  -0.429
  137    HA   CYS  20           HA       CYS  20  -6.487   3.428   2.090
  138    HB2  CYS  20           2HB      CYS  20  -3.726   3.100   0.956
  139    HB3  CYS  20           1HB      CYS  20  -3.979   3.854   2.529
  140    H    GLU  21           H        GLU  21  -4.663   5.407   2.815
  141    HA   GLU  21           HA       GLU  21  -4.671   7.577   0.928
  142    HB2  GLU  21           2HB      GLU  21  -7.050   7.581   1.658
  143    HB3  GLU  21           1HB      GLU  21  -6.513   7.790   3.326
  144    HG2  GLU  21           2HG      GLU  21  -5.400   9.893   2.723
  145    HG3  GLU  21           1HG      GLU  21  -5.885   9.682   1.041
  146    H    ILE  22           H        ILE  22  -2.639   8.205   1.330
  147    HA   ILE  22           HA       ILE  22  -1.902   8.760   4.145
  148    HB   ILE  22           HB       ILE  22   0.110   7.995   2.051
  149   HG12  ILE  22          2HG1      ILE  22  -1.671   6.215   2.213
  150   HG13  ILE  22          1HG1      ILE  22  -0.073   5.673   2.724
  151   HG21  ILE  22          1HG2      ILE  22  -0.001   7.881   5.074
  152   HG22  ILE  22          2HG2      ILE  22   0.978   8.974   4.094
  153   HG23  ILE  22          3HG2      ILE  22   1.329   7.245   4.108
  154   HD11  ILE  22          3HD1      ILE  22  -2.254   6.646   4.579
  155   HD12  ILE  22          1HD1      ILE  22  -0.673   6.042   5.065
  156   HD13  ILE  22          2HD1      ILE  22  -1.836   4.956   4.303
  157    H    SER  23           H        SER  23  -1.061  10.728   4.578
  158    HA   SER  23           HA       SER  23  -0.483  12.931   4.262
  159    HB2  SER  23           2HB      SER  23   0.854  13.228   1.976
  160    HB3  SER  23           1HB      SER  23   1.575  12.446   3.380
  161    HG   SER  23           HG       SER  23   0.632  11.359   0.989
  162    H    GLY  24           H        GLY  24  -3.029  11.825   3.117
  163    HA2  GLY  24           2HA      GLY  24  -4.855  12.993   2.224
  164    HA3  GLY  24           1HA      GLY  24  -3.742  14.197   1.580
  165    H    ARG  25           H        ARG  25  -2.149  11.701   0.603
  166    HA   ARG  25           HA       ARG  25  -3.426  11.634  -2.011
  167    HB2  ARG  25           2HB      ARG  25  -0.987  11.995  -1.842
  168    HB3  ARG  25           1HB      ARG  25  -0.820  10.412  -1.088
  169    HG2  ARG  25           2HG      ARG  25  -1.663   9.308  -3.077
  170    HG3  ARG  25           1HG      ARG  25  -2.033  10.860  -3.830
  171    HD2  ARG  25           2HD      ARG  25   0.066  10.041  -4.736
  172    HD3  ARG  25           1HD      ARG  25   0.395  11.438  -3.718
  173    HE   ARG  25           HE       ARG  25   0.602   9.039  -2.198
  174   HH11  ARG  25          1HH2      ARG  25   2.169  10.927  -4.641
  175   HH12  ARG  25          2HH2      ARG  25   3.761  10.375  -4.241
  176   HH21  ARG  25          1HH1      ARG  25   2.687   8.312  -1.668
  177   HH22  ARG  25          2HH1      ARG  25   4.055   8.895  -2.558
  178    H    LEU  26           H        LEU  26  -3.920   9.687  -3.122
  179    HA   LEU  26           HA       LEU  26  -5.114   7.700  -1.400
  180    HB2  LEU  26           2HB      LEU  26  -4.968   8.038  -4.395
  181    HB3  LEU  26           1HB      LEU  26  -5.741   6.650  -3.631
  182    HG   LEU  26           HG       LEU  26  -6.465   9.512  -2.963
  183   HD11  LEU  26          1HD1      LEU  26  -7.795   7.598  -4.906
  184   HD12  LEU  26          2HD1      LEU  26  -6.944   9.082  -5.340
  185   HD13  LEU  26          3HD1      LEU  26  -8.443   9.163  -4.413
  186   HD21  LEU  26          3HD2      LEU  26  -8.576   7.641  -2.587
  187   HD22  LEU  26          1HD2      LEU  26  -7.676   8.512  -1.346
  188   HD23  LEU  26          2HD2      LEU  26  -7.124   6.927  -1.885
  189    H    TYR  27           H        TYR  27  -4.327   5.771  -0.859
  190    HA   TYR  27           HA       TYR  27  -1.852   4.827  -2.179
  191    HB2  TYR  27           2HB      TYR  27  -2.629   4.961   0.687
  192    HB3  TYR  27           1HB      TYR  27  -1.671   3.587   0.142
  193    HD1  TYR  27           1HD      TYR  27  -1.756   7.280  -0.544
  194    HD2  TYR  27           2HD      TYR  27   0.610   3.819   0.383
  195    HE1  TYR  27           1HE      TYR  27   0.298   8.670  -0.544
  196    HE2  TYR  27           2HE      TYR  27   2.659   5.215   0.379
  197    HH   TYR  27           HH       TYR  27   2.871   8.161   0.795
  198    H    ARG  28           H        ARG  28  -1.592   2.552  -2.411
  199    HA   ARG  28           HA       ARG  28  -4.174   1.179  -2.733
  200    HB2  ARG  28           2HB      ARG  28  -1.390   0.529  -3.745
  201    HB3  ARG  28           1HB      ARG  28  -2.813  -0.473  -4.040
  202    HG2  ARG  28           2HG      ARG  28  -3.919   1.402  -5.173
  203    HG3  ARG  28           1HG      ARG  28  -2.529   2.436  -4.843
  204    HD2  ARG  28           2HD      ARG  28  -2.370   1.591  -7.123
  205    HD3  ARG  28           1HD      ARG  28  -1.096   0.870  -6.145
  206    HE   ARG  28           HE       ARG  28  -2.185  -1.205  -6.315
  207   HH11  ARG  28          1HH2      ARG  28  -4.052   1.393  -7.633
  208   HH12  ARG  28          2HH2      ARG  28  -5.191   0.357  -8.423
  209   HH21  ARG  28          1HH1      ARG  28  -3.677  -2.571  -7.348
  210   HH22  ARG  28          2HH1      ARG  28  -4.980  -1.887  -8.263
  211    H    LEU  29           H        LEU  29  -4.751  -0.576  -1.556
  212    HA   LEU  29           HA       LEU  29  -2.893  -1.417   0.574
  213    HB2  LEU  29           2HB      LEU  29  -5.061  -0.583   1.341
  214    HB3  LEU  29           1HB      LEU  29  -5.892  -1.754   0.321
  215    HG   LEU  29           HG       LEU  29  -4.936  -3.608   1.592
  216   HD11  LEU  29          1HD1      LEU  29  -3.290  -1.383   2.731
  217   HD12  LEU  29          2HD1      LEU  29  -2.817  -3.029   2.307
  218   HD13  LEU  29          3HD1      LEU  29  -3.705  -2.724   3.798
  219   HD21  LEU  29          3HD2      LEU  29  -6.356  -3.388   3.393
  220   HD22  LEU  29          1HD2      LEU  29  -6.894  -1.971   2.488
  221   HD23  LEU  29          2HD2      LEU  29  -5.745  -1.787   3.813
  222    H    CYS  30           H        CYS  30  -1.726  -3.145   0.026
  223    HA   CYS  30           HA       CYS  30  -3.106  -5.326  -1.415
  224    HB2  CYS  30           2HB      CYS  30  -0.880  -6.000  -2.234
  225    HB3  CYS  30           1HB      CYS  30  -1.307  -4.377  -2.742
  226    H    CYS  31           H        CYS  31  -2.892  -7.476  -0.628
  227    HA   CYS  31           HA       CYS  31  -1.554  -7.663   1.999
  228    HB2  CYS  31           2HB      CYS  31  -4.021  -9.151   1.109
  229    HB3  CYS  31           1HB      CYS  31  -3.301  -9.160   2.707
  230    H    ARG  32           H        ARG  32  -0.217  -9.382   2.308
  231    HA   ARG  32           HA       ARG  32  -0.189 -11.542   0.314
  232    HB2  ARG  32           2HB      ARG  32   2.210 -11.348   0.008
  233    HB3  ARG  32           1HB      ARG  32   1.437  -9.819  -0.410
  234    HG2  ARG  32           2HG      ARG  32   1.875  -9.284   2.153
  235    HG3  ARG  32           1HG      ARG  32   3.145 -10.493   1.948
  236    HD2  ARG  32           2HD      ARG  32   4.004  -9.238  -0.002
  237    HD3  ARG  32           1HD      ARG  32   2.758  -8.018   0.251
  238    HE   ARG  32           HE       ARG  32   4.191  -8.314   2.656
  239   HH11  ARG  32          1HH2      ARG  32   4.644  -7.252  -0.605
  240   HH12  ARG  32          2HH2      ARG  32   5.875  -6.102  -0.206
  241   HH21  ARG  32          1HH1      ARG  32   5.806  -6.806   3.187
  242   HH22  ARG  32          2HH1      ARG  32   6.534  -5.847   1.942
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1  -2.124 -13.488   6.563
    2    H2   ALA   1           2HT      ALA   1  -2.815 -14.144   5.158
    3    H3   ALA   1           3HT      ALA   1  -3.497 -12.767   5.880
    4    HA   ALA   1           HA       ALA   1  -0.810 -12.911   4.626
    5    HB1  ALA   1           2HB      ALA   1  -3.517 -12.151   3.663
    6    HB2  ALA   1           3HB      ALA   1  -2.134 -12.771   2.761
    7    HB3  ALA   1           1HB      ALA   1  -2.200 -11.068   3.211
    8    H    THR   2           H        THR   2  -0.360 -10.401   4.055
    9    HA   THR   2           HA       THR   2  -0.814  -8.869   6.541
   10    HB   THR   2           HB       THR   2   1.684  -9.087   4.843
   11    HG1  THR   2           1HG      THR   2   1.013 -10.572   6.693
   12   HG21  THR   2          3HG2      THR   2   1.763  -6.839   5.358
   13   HG22  THR   2          1HG2      THR   2   2.477  -7.507   6.827
   14   HG23  THR   2          2HG2      THR   2   0.780  -7.031   6.809
   15    H    CYS   3           H        CYS   3  -2.244  -7.362   6.013
   16    HA   CYS   3           HA       CYS   3  -2.224  -6.120   3.385
   17    HB2  CYS   3           2HB      CYS   3  -4.001  -5.690   5.800
   18    HB3  CYS   3           1HB      CYS   3  -4.226  -4.936   4.227
   19    H    TYR   4           H        TYR   4  -1.498  -4.111   2.920
   20    HA   TYR   4           HA       TYR   4  -1.040  -2.129   4.969
   21    HB2  TYR   4           2HB      TYR   4   1.370  -1.924   4.626
   22    HB3  TYR   4           1HB      TYR   4   0.976  -3.543   5.208
   23    HD1  TYR   4           1HD      TYR   4   1.078  -5.487   3.714
   24    HD2  TYR   4           2HD      TYR   4   2.108  -1.550   2.336
   25    HE1  TYR   4           1HE      TYR   4   2.141  -6.471   1.700
   26    HE2  TYR   4           2HE      TYR   4   3.176  -2.537   0.323
   27    HH   TYR   4           HH       TYR   4   4.204  -5.396   0.002
   28    H    CYS   5           H        CYS   5  -0.521  -0.049   4.087
   29    HA   CYS   5           HA       CYS   5  -1.419   0.235   1.327
   30    HB2  CYS   5           2HB      CYS   5  -0.647   2.497   3.141
   31    HB3  CYS   5           1HB      CYS   5  -1.809   2.470   1.842
   32    H    ARG   6           H        ARG   6  -0.196   1.075  -0.327
   33    HA   ARG   6           HA       ARG   6   2.602   1.793   0.251
   34    HB2  ARG   6           2HB      ARG   6   3.379   0.439  -1.636
   35    HB3  ARG   6           1HB      ARG   6   2.562  -0.577  -0.449
   36    HG2  ARG   6           2HG      ARG   6   0.790  -1.011  -1.827
   37    HG3  ARG   6           1HG      ARG   6   0.857   0.574  -2.596
   38    HD2  ARG   6           2HD      ARG   6   1.541  -1.424  -4.033
   39    HD3  ARG   6           1HD      ARG   6   2.652  -0.061  -4.004
   40    HE   ARG   6           HE       ARG   6   3.125  -2.275  -2.127
   41   HH11  ARG   6          1HH2      ARG   6   3.942  -0.515  -4.995
   42   HH12  ARG   6          2HH2      ARG   6   5.533  -1.189  -5.119
   43   HH21  ARG   6          1HH1      ARG   6   5.207  -3.163  -2.288
   44   HH22  ARG   6          2HH1      ARG   6   6.248  -2.688  -3.588
   45    H    THR   7           H        THR   7   3.607   3.062  -1.428
   46    HA   THR   7           HA       THR   7   1.718   4.857  -2.707
   47    HB   THR   7           HB       THR   7   3.665   5.821  -1.621
   48    HG1  THR   7           1HG      THR   7   4.565   6.262  -4.121
   49   HG21  THR   7          3HG2      THR   7   5.036   3.700  -3.156
   50   HG22  THR   7          1HG2      THR   7   5.461   4.422  -1.605
   51   HG23  THR   7          2HG2      THR   7   5.873   5.250  -3.107
   52    H    GLY   8           H        GLY   8   0.999   2.869  -4.036
   53    HA2  GLY   8           2HA      GLY   8   1.090   3.047  -6.620
   54    HA3  GLY   8           1HA      GLY   8   2.732   2.454  -6.383
   55    H    ARG   9           H        ARG   9   1.730   0.735  -7.855
   56    HA   ARG   9           HA       ARG   9  -0.118  -1.132  -6.731
   57    HB2  ARG   9           2HB      ARG   9   0.038  -0.965  -9.122
   58    HB3  ARG   9           1HB      ARG   9   1.766  -1.311  -9.082
   59    HG2  ARG   9           2HG      ARG   9   1.451  -3.551  -8.571
   60    HG3  ARG   9           1HG      ARG   9  -0.139  -3.273  -7.860
   61    HD2  ARG   9           2HD      ARG   9  -0.236  -4.412 -10.091
   62    HD3  ARG   9           1HD      ARG   9  -1.112  -2.885 -10.037
   63    HE   ARG   9           HE       ARG   9   1.651  -2.879 -11.048
   64   HH11  ARG   9          1HH2      ARG   9  -1.767  -2.622 -11.553
   65   HH12  ARG   9          2HH2      ARG   9  -1.618  -1.903 -13.120
   66   HH21  ARG   9          1HH1      ARG   9   1.848  -1.938 -13.106
   67   HH22  ARG   9          2HH1      ARG   9   0.425  -1.517 -14.000
   68    H    CYS  10           H        CYS  10   0.351  -3.340  -6.178
   69    HA   CYS  10           HA       CYS  10   2.959  -3.595  -4.821
   70    HB2  CYS  10           2HB      CYS  10   0.221  -4.673  -4.296
   71    HB3  CYS  10           1HB      CYS  10   1.617  -5.585  -3.733
   72    H    ALA  11           H        ALA  11   3.005  -6.334  -4.464
   73    HA   ALA  11           HA       ALA  11   3.873  -7.197  -7.096
   74    HB1  ALA  11           1HB      ALA  11   5.362  -8.293  -5.834
   75    HB2  ALA  11           2HB      ALA  11   4.060  -9.331  -5.254
   76    HB3  ALA  11           3HB      ALA  11   4.481  -7.866  -4.368
   77    H    THR  12           H        THR  12   3.284  -9.366  -7.917
   78    HA   THR  12           HA       THR  12   0.507  -9.619  -8.269
   79    HB   THR  12           HB       THR  12   2.841 -11.428  -8.831
   80    HG1  THR  12           1HG      THR  12   1.082  -9.771 -10.252
   81   HG21  THR  12          3HG2      THR  12  -0.102 -12.001  -9.222
   82   HG22  THR  12          1HG2      THR  12   1.065 -12.953  -8.303
   83   HG23  THR  12          2HG2      THR  12   1.182 -12.873 -10.061
   84    H    ARG  13           H        ARG  13   2.763 -11.378  -6.183
   85    HA   ARG  13           HA       ARG  13   0.998 -13.305  -5.183
   86    HB2  ARG  13           2HB      ARG  13   3.276 -11.939  -3.726
   87    HB3  ARG  13           1HB      ARG  13   2.544 -13.486  -3.298
   88    HG2  ARG  13           2HG      ARG  13   3.907 -14.543  -4.739
   89    HG3  ARG  13           1HG      ARG  13   3.252 -13.583  -6.067
   90    HD2  ARG  13           2HD      ARG  13   4.858 -11.842  -5.708
   91    HD3  ARG  13           1HD      ARG  13   5.414 -12.577  -4.205
   92    HE   ARG  13           HE       ARG  13   6.676 -14.090  -5.464
   93   HH11  ARG  13          1HH2      ARG  13   4.470 -12.297  -7.436
   94   HH12  ARG  13          2HH2      ARG  13   5.159 -12.832  -8.933
   95   HH21  ARG  13          1HH1      ARG  13   7.583 -14.797  -7.421
   96   HH22  ARG  13          2HH1      ARG  13   6.921 -14.248  -8.924
   97    H    GLU  14           H        GLU  14   1.373  -9.914  -4.425
   98    HA   GLU  14           HA       GLU  14  -0.105  -9.984  -1.971
   99    HB2  GLU  14           2HB      GLU  14   0.066  -7.486  -3.591
  100    HB3  GLU  14           1HB      GLU  14   0.282  -7.729  -1.857
  101    HG2  GLU  14           2HG      GLU  14   2.366  -9.164  -2.712
  102    HG3  GLU  14           1HG      GLU  14   2.245  -8.039  -4.063
  103    H    SER  15           H        SER  15  -2.158  -8.734  -1.691
  104    HA   SER  15           HA       SER  15  -3.932  -8.968  -4.042
  105    HB2  SER  15           2HB      SER  15  -5.697  -9.712  -2.330
  106    HB3  SER  15           1HB      SER  15  -4.481 -10.862  -2.837
  107    HG   SER  15           HG       SER  15  -3.724  -9.326  -0.713
  108    H    LEU  16           H        LEU  16  -5.215  -7.288  -4.362
  109    HA   LEU  16           HA       LEU  16  -4.968  -4.972  -2.653
  110    HB2  LEU  16           2HB      LEU  16  -5.750  -5.479  -5.358
  111    HB3  LEU  16           1HB      LEU  16  -7.044  -4.587  -4.561
  112    HG   LEU  16           HG       LEU  16  -5.295  -3.108  -5.600
  113   HD11  LEU  16          1HD1      LEU  16  -6.523  -2.947  -3.066
  114   HD12  LEU  16          2HD1      LEU  16  -5.879  -1.611  -4.019
  115   HD13  LEU  16          3HD1      LEU  16  -4.861  -2.411  -2.822
  116   HD21  LEU  16          3HD2      LEU  16  -3.379  -3.485  -3.429
  117   HD22  LEU  16          1HD2      LEU  16  -3.094  -3.407  -5.169
  118   HD23  LEU  16          2HD2      LEU  16  -3.544  -4.938  -4.418
  119    H    SER  17           H        SER  17  -6.306  -4.282  -1.115
  120    HA   SER  17           HA       SER  17  -8.830  -5.772  -0.736
  121    HB2  SER  17           2HB      SER  17  -8.616  -5.302   1.630
  122    HB3  SER  17           1HB      SER  17  -7.110  -6.009   1.058
  123    HG   SER  17           HG       SER  17  -6.643  -3.583   0.684
  124    H    GLY  18           H        GLY  18  -7.370  -2.624  -1.053
  125    HA2  GLY  18           2HA      GLY  18  -9.694  -1.302  -1.834
  126    HA3  GLY  18           1HA      GLY  18  -9.535  -1.061  -0.097
  127    H    VAL  19           H        VAL  19  -9.440   1.213  -1.307
  128    HA   VAL  19           HA       VAL  19  -6.670   1.865  -2.055
  129    HB   VAL  19           HB       VAL  19  -8.235   2.805  -3.573
  130   HG11  VAL  19          1HG1      VAL  19 -10.382   2.998  -2.921
  131   HG12  VAL  19          2HG1      VAL  19  -9.935   4.449  -2.027
  132   HG13  VAL  19          3HG1      VAL  19  -9.920   2.879  -1.224
  133   HG21  VAL  19          3HG2      VAL  19  -6.493   4.390  -2.703
  134   HG22  VAL  19          1HG2      VAL  19  -7.674   4.985  -1.538
  135   HG23  VAL  19          2HG2      VAL  19  -7.954   5.202  -3.264
  136    H    CYS  20           H        CYS  20  -5.347   2.499  -0.491
  137    HA   CYS  20           HA       CYS  20  -6.288   3.345   2.100
  138    HB2  CYS  20           2HB      CYS  20  -3.640   2.856   0.817
  139    HB3  CYS  20           1HB      CYS  20  -3.705   3.788   2.312
  140    H    GLU  21           H        GLU  21  -5.085   5.331   3.076
  141    HA   GLU  21           HA       GLU  21  -4.936   7.555   1.157
  142    HB2  GLU  21           2HB      GLU  21  -6.350   8.154   3.692
  143    HB3  GLU  21           1HB      GLU  21  -6.635   8.772   2.065
  144    HG2  GLU  21           2HG      GLU  21  -8.524   7.400   2.597
  145    HG3  GLU  21           1HG      GLU  21  -7.537   6.470   1.472
  146    H    ILE  22           H        ILE  22  -2.878   8.179   1.442
  147    HA   ILE  22           HA       ILE  22  -1.992   8.741   4.209
  148    HB   ILE  22           HB       ILE  22  -0.342   7.464   2.013
  149   HG12  ILE  22          2HG1      ILE  22  -1.034   6.326   4.730
  150   HG13  ILE  22          1HG1      ILE  22  -2.062   6.047   3.324
  151   HG21  ILE  22          1HG2      ILE  22   0.938   7.361   4.539
  152   HG22  ILE  22          2HG2      ILE  22   0.382   9.024   4.335
  153   HG23  ILE  22          3HG2      ILE  22   1.437   8.291   3.126
  154   HD11  ILE  22          3HD1      ILE  22   0.768   5.586   2.755
  155   HD12  ILE  22          1HD1      ILE  22  -0.627   4.553   2.447
  156   HD13  ILE  22          2HD1      ILE  22   0.149   4.536   4.031
  157    H    SER  23           H        SER  23  -0.831  10.605   4.485
  158    HA   SER  23           HA       SER  23  -0.145  12.753   4.028
  159    HB2  SER  23           2HB      SER  23   1.061  12.842   1.657
  160    HB3  SER  23           1HB      SER  23   1.803  12.042   3.039
  161    HG   SER  23           HG       SER  23   1.851  10.464   1.598
  162    H    GLY  24           H        GLY  24  -2.835  11.760   3.051
  163    HA2  GLY  24           2HA      GLY  24  -4.631  13.008   2.212
  164    HA3  GLY  24           1HA      GLY  24  -3.484  14.140   1.503
  165    H    ARG  25           H        ARG  25  -2.051  11.597   0.460
  166    HA   ARG  25           HA       ARG  25  -3.534  11.511  -2.053
  167    HB2  ARG  25           2HB      ARG  25  -1.157  11.924  -2.243
  168    HB3  ARG  25           1HB      ARG  25  -0.796  10.488  -1.288
  169    HG2  ARG  25           2HG      ARG  25  -1.811   9.063  -3.016
  170    HG3  ARG  25           1HG      ARG  25  -2.214  10.491  -3.968
  171    HD2  ARG  25           2HD      ARG  25  -0.169   9.559  -4.862
  172    HD3  ARG  25           1HD      ARG  25   0.232  11.059  -4.030
  173    HE   ARG  25           HE       ARG  25   0.478   8.876  -2.234
  174   HH11  ARG  25          1HH2      ARG  25   1.939  10.327  -5.017
  175   HH12  ARG  25          2HH2      ARG  25   3.533   9.763  -4.645
  176   HH21  ARG  25          1HH1      ARG  25   2.567   8.130  -1.742
  177   HH22  ARG  25          2HH1      ARG  25   3.890   8.519  -2.791
  178    H    LEU  26           H        LEU  26  -4.327   9.647  -2.990
  179    HA   LEU  26           HA       LEU  26  -5.215   7.616  -1.186
  180    HB2  LEU  26           2HB      LEU  26  -6.366   6.695  -3.049
  181    HB3  LEU  26           1HB      LEU  26  -6.417   8.443  -3.275
  182    HG   LEU  26           HG       LEU  26  -4.100   7.896  -4.552
  183   HD11  LEU  26          1HD1      LEU  26  -5.766   5.582  -5.458
  184   HD12  LEU  26          2HD1      LEU  26  -4.788   5.377  -4.004
  185   HD13  LEU  26          3HD1      LEU  26  -4.017   5.801  -5.533
  186   HD21  LEU  26          3HD2      LEU  26  -5.327   8.164  -6.596
  187   HD22  LEU  26          1HD2      LEU  26  -6.206   9.074  -5.369
  188   HD23  LEU  26          2HD2      LEU  26  -6.790   7.491  -5.880
  189    H    TYR  27           H        TYR  27  -4.360   5.690  -0.720
  190    HA   TYR  27           HA       TYR  27  -1.952   4.826  -2.201
  191    HB2  TYR  27           2HB      TYR  27  -2.633   4.799   0.688
  192    HB3  TYR  27           1HB      TYR  27  -1.651   3.490   0.032
  193    HD1  TYR  27           1HD      TYR  27  -1.876   7.193  -0.539
  194    HD2  TYR  27           2HD      TYR  27   0.626   3.811   0.307
  195    HE1  TYR  27           1HE      TYR  27   0.119   8.663  -0.547
  196    HE2  TYR  27           2HE      TYR  27   2.623   5.282   0.293
  197    HH   TYR  27           HH       TYR  27   2.934   7.956   0.765
  198    H    ARG  28           H        ARG  28  -1.607   2.476  -2.288
  199    HA   ARG  28           HA       ARG  28  -4.182   1.092  -2.688
  200    HB2  ARG  28           2HB      ARG  28  -1.393   0.569  -3.748
  201    HB3  ARG  28           1HB      ARG  28  -2.738  -0.553  -3.972
  202    HG2  ARG  28           2HG      ARG  28  -4.032   1.209  -5.101
  203    HG3  ARG  28           1HG      ARG  28  -2.707   2.347  -4.858
  204    HD2  ARG  28           2HD      ARG  28  -1.224   0.933  -6.213
  205    HD3  ARG  28           1HD      ARG  28  -2.522  -0.237  -6.433
  206    HE   ARG  28           HE       ARG  28  -2.295   2.374  -7.726
  207   HH11  ARG  28          1HH2      ARG  28  -4.190  -0.418  -6.956
  208   HH12  ARG  28          2HH2      ARG  28  -5.324  -0.174  -8.244
  209   HH21  ARG  28          1HH1      ARG  28  -3.780   2.699  -9.418
  210   HH22  ARG  28          2HH1      ARG  28  -5.092   1.589  -9.636
  211    H    LEU  29           H        LEU  29  -4.757  -0.591  -1.438
  212    HA   LEU  29           HA       LEU  29  -2.862  -1.457   0.640
  213    HB2  LEU  29           2HB      LEU  29  -5.005  -0.616   1.457
  214    HB3  LEU  29           1HB      LEU  29  -5.868  -1.768   0.437
  215    HG   LEU  29           HG       LEU  29  -4.891  -3.650   1.659
  216   HD11  LEU  29          1HD1      LEU  29  -2.772  -3.083   2.366
  217   HD12  LEU  29          2HD1      LEU  29  -3.644  -2.797   3.871
  218   HD13  LEU  29          3HD1      LEU  29  -3.235  -1.443   2.815
  219   HD21  LEU  29          3HD2      LEU  29  -6.275  -3.460   3.498
  220   HD22  LEU  29          1HD2      LEU  29  -6.864  -2.076   2.578
  221   HD23  LEU  29          2HD2      LEU  29  -5.711  -1.835   3.891
  222    H    CYS  30           H        CYS  30  -1.677  -3.135  -0.052
  223    HA   CYS  30           HA       CYS  30  -3.085  -5.322  -1.436
  224    HB2  CYS  30           2HB      CYS  30  -0.882  -6.009  -2.271
  225    HB3  CYS  30           1HB      CYS  30  -1.267  -4.368  -2.746
  226    H    CYS  31           H        CYS  31  -2.895  -7.467  -0.660
  227    HA   CYS  31           HA       CYS  31  -1.590  -7.683   1.982
  228    HB2  CYS  31           2HB      CYS  31  -3.997  -9.217   1.024
  229    HB3  CYS  31           1HB      CYS  31  -3.330  -9.198   2.642
  230    H    ARG  32           H        ARG  32  -0.211  -9.349   2.301
  231    HA   ARG  32           HA       ARG  32  -0.108 -11.531   0.341
  232    HB2  ARG  32           2HB      ARG  32   2.271 -11.254  -0.017
  233    HB3  ARG  32           1HB      ARG  32   1.434  -9.768  -0.460
  234    HG2  ARG  32           2HG      ARG  32   1.908  -9.135   2.067
  235    HG3  ARG  32           1HG      ARG  32   3.206 -10.318   1.887
  236    HD2  ARG  32           2HD      ARG  32   3.999  -9.106  -0.129
  237    HD3  ARG  32           1HD      ARG  32   2.735  -7.903   0.125
  238    HE   ARG  32           HE       ARG  32   3.961  -7.048   1.937
  239   HH11  ARG  32          1HH2      ARG  32   5.292  -9.999   0.716
  240   HH12  ARG  32          2HH2      ARG  32   6.774  -9.861   1.603
  241   HH21  ARG  32          1HH1      ARG  32   5.905  -6.860   3.106
  242   HH22  ARG  32          2HH1      ARG  32   7.120  -8.084   2.956
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1  -3.047 -13.683   5.033
    2    H2   ALA   1           2HT      ALA   1  -2.540 -12.821   6.406
    3    H3   ALA   1           3HT      ALA   1  -1.608 -14.114   5.820
    4    HA   ALA   1           HA       ALA   1  -0.544 -12.844   4.361
    5    HB1  ALA   1           2HB      ALA   1  -1.997 -12.637   2.615
    6    HB2  ALA   1           3HB      ALA   1  -2.181 -10.987   3.209
    7    HB3  ALA   1           1HB      ALA   1  -3.351 -12.224   3.668
    8    H    THR   2           H        THR   2  -0.141 -10.352   3.908
    9    HA   THR   2           HA       THR   2  -0.511  -8.899   6.457
   10    HB   THR   2           HB       THR   2   1.909  -8.972   4.635
   11    HG1  THR   2           1HG      THR   2   1.278  -9.944   7.191
   12   HG21  THR   2          3HG2      THR   2   2.592  -7.561   6.907
   13   HG22  THR   2          1HG2      THR   2   0.963  -6.978   6.563
   14   HG23  THR   2          2HG2      THR   2   2.225  -6.848   5.337
   15    H    CYS   3           H        CYS   3  -1.981  -7.404   6.045
   16    HA   CYS   3           HA       CYS   3  -2.160  -6.096   3.462
   17    HB2  CYS   3           2HB      CYS   3  -3.724  -5.717   6.024
   18    HB3  CYS   3           1HB      CYS   3  -4.065  -4.905   4.502
   19    H    TYR   4           H        TYR   4  -1.492  -4.073   2.968
   20    HA   TYR   4           HA       TYR   4  -0.870  -2.109   4.974
   21    HB2  TYR   4           2HB      TYR   4   1.526  -1.929   4.494
   22    HB3  TYR   4           1HB      TYR   4   1.140  -3.526   5.136
   23    HD1  TYR   4           2HD      TYR   4   1.943  -1.623   2.063
   24    HD2  TYR   4           1HD      TYR   4   1.349  -5.512   3.788
   25    HE1  TYR   4           2HE      TYR   4   2.889  -2.675   0.025
   26    HE2  TYR   4           1HE      TYR   4   2.293  -6.560   1.747
   27    HH   TYR   4           HH       TYR   4   3.676  -6.039  -0.111
   28    H    CYS   5           H        CYS   5  -0.400  -0.041   4.064
   29    HA   CYS   5           HA       CYS   5  -1.401   0.233   1.337
   30    HB2  CYS   5           2HB      CYS   5  -0.599   2.481   3.175
   31    HB3  CYS   5           1HB      CYS   5  -1.735   2.502   1.844
   32    H    ARG   6           H        ARG   6  -0.225   1.021  -0.365
   33    HA   ARG   6           HA       ARG   6   2.584   1.769   0.117
   34    HB2  ARG   6           2HB      ARG   6   3.336   0.383  -1.723
   35    HB3  ARG   6           1HB      ARG   6   2.453  -0.624  -0.579
   36    HG2  ARG   6           2HG      ARG   6   0.676  -0.944  -2.001
   37    HG3  ARG   6           1HG      ARG   6   0.883   0.613  -2.802
   38    HD2  ARG   6           2HD      ARG   6   2.900  -1.606  -3.091
   39    HD3  ARG   6           1HD      ARG   6   1.500  -1.475  -4.150
   40    HE   ARG   6           HE       ARG   6   2.445   0.924  -4.523
   41   HH11  ARG   6          1HH2      ARG   6   4.248  -1.983  -3.975
   42   HH12  ARG   6          2HH2      ARG   6   5.635  -1.453  -4.865
   43   HH21  ARG   6          1HH1      ARG   6   4.263   1.620  -5.695
   44   HH22  ARG   6          2HH1      ARG   6   5.643   0.584  -5.839
   45    H    THR   7           H        THR   7   3.536   3.014  -1.624
   46    HA   THR   7           HA       THR   7   1.573   4.756  -2.895
   47    HB   THR   7           HB       THR   7   3.414   5.873  -1.836
   48    HG1  THR   7           1HG      THR   7   4.345   5.990  -4.438
   49   HG21  THR   7          3HG2      THR   7   5.022   3.807  -3.300
   50   HG22  THR   7          1HG2      THR   7   5.135   4.322  -1.617
   51   HG23  THR   7          2HG2      THR   7   5.766   5.355  -2.900
   52    H    GLY   8           H        GLY   8   1.008   2.649  -4.180
   53    HA2  GLY   8           2HA      GLY   8   1.149   2.860  -6.793
   54    HA3  GLY   8           1HA      GLY   8   2.779   2.264  -6.491
   55    H    ARG   9           H        ARG   9   1.748   0.549  -7.997
   56    HA   ARG   9           HA       ARG   9  -0.124  -1.305  -6.920
   57    HB2  ARG   9           2HB      ARG   9   0.428  -0.957  -9.362
   58    HB3  ARG   9           1HB      ARG   9   1.913  -1.864  -9.069
   59    HG2  ARG   9           2HG      ARG   9   0.642  -3.785  -8.298
   60    HG3  ARG   9           1HG      ARG   9  -0.866  -2.881  -8.435
   61    HD2  ARG   9           2HD      ARG   9  -0.618  -4.293 -10.388
   62    HD3  ARG   9           1HD      ARG   9  -0.438  -2.607 -10.862
   63    HE   ARG   9           HE       ARG   9   2.008  -4.127 -10.289
   64   HH11  ARG   9          1HH2      ARG   9  -0.185  -2.697 -12.557
   65   HH12  ARG   9          2HH2      ARG   9   0.949  -2.705 -13.866
   66   HH21  ARG   9          1HH1      ARG   9   3.497  -4.139 -12.002
   67   HH22  ARG   9          2HH1      ARG   9   3.033  -3.520 -13.552
   68    H    CYS  10           H        CYS  10   0.316  -3.517  -6.329
   69    HA   CYS  10           HA       CYS  10   2.888  -3.783  -4.896
   70    HB2  CYS  10           2HB      CYS  10   0.116  -4.772  -4.352
   71    HB3  CYS  10           1HB      CYS  10   1.491  -5.671  -3.718
   72    H    ALA  11           H        ALA  11   2.892  -6.488  -4.435
   73    HA   ALA  11           HA       ALA  11   3.755  -7.482  -7.012
   74    HB1  ALA  11           1HB      ALA  11   3.746  -9.535  -5.027
   75    HB2  ALA  11           2HB      ALA  11   4.328  -8.045  -4.283
   76    HB3  ALA  11           3HB      ALA  11   5.128  -8.684  -5.718
   77    H    THR  12           H        THR  12   3.053  -9.534  -7.893
   78    HA   THR  12           HA       THR  12   0.264  -9.711  -8.204
   79    HB   THR  12           HB       THR  12   2.516 -11.612  -8.850
   80    HG1  THR  12           1HG      THR  12   0.716 -10.298 -10.576
   81   HG21  THR  12          3HG2      THR  12  -0.412 -12.056  -8.852
   82   HG22  THR  12          1HG2      THR  12   0.905 -13.226  -8.775
   83   HG23  THR  12          2HG2      THR  12   0.434 -12.530 -10.326
   84    H    ARG  13           H        ARG  13   2.515 -11.553  -6.193
   85    HA   ARG  13           HA       ARG  13   0.723 -13.479  -5.227
   86    HB2  ARG  13           2HB      ARG  13   3.100 -12.215  -3.836
   87    HB3  ARG  13           1HB      ARG  13   2.296 -13.700  -3.329
   88    HG2  ARG  13           2HG      ARG  13   3.434 -13.363  -6.109
   89    HG3  ARG  13           1HG      ARG  13   4.402 -13.980  -4.772
   90    HD2  ARG  13           2HD      ARG  13   2.630 -15.734  -4.404
   91    HD3  ARG  13           1HD      ARG  13   1.846 -15.177  -5.878
   92    HE   ARG  13           HE       ARG  13   3.679 -16.024  -7.132
   93   HH11  ARG  13          1HH2      ARG  13   3.928 -16.518  -3.713
   94   HH12  ARG  13          2HH2      ARG  13   5.156 -17.734  -3.842
   95   HH21  ARG  13          1HH1      ARG  13   5.290 -17.613  -7.303
   96   HH22  ARG  13          2HH1      ARG  13   5.927 -18.351  -5.872
   97    H    GLU  14           H        GLU  14   1.212 -10.137  -4.337
   98    HA   GLU  14           HA       GLU  14  -0.229 -10.231  -1.867
   99    HB2  GLU  14           2HB      GLU  14  -0.083  -7.721  -3.472
  100    HB3  GLU  14           1HB      GLU  14   0.157  -7.972  -1.745
  101    HG2  GLU  14           2HG      GLU  14   2.241  -9.372  -2.558
  102    HG3  GLU  14           1HG      GLU  14   2.080  -8.361  -3.991
  103    H    SER  15           H        SER  15  -2.209  -8.731  -1.623
  104    HA   SER  15           HA       SER  15  -4.077  -9.105  -3.872
  105    HB2  SER  15           2HB      SER  15  -5.785  -9.604  -1.959
  106    HB3  SER  15           1HB      SER  15  -4.747 -10.865  -2.595
  107    HG   SER  15           HG       SER  15  -3.319  -9.788  -0.763
  108    H    LEU  16           H        LEU  16  -5.223  -7.365  -4.309
  109    HA   LEU  16           HA       LEU  16  -4.907  -4.995  -2.679
  110    HB2  LEU  16           2HB      LEU  16  -5.506  -5.519  -5.394
  111    HB3  LEU  16           1HB      LEU  16  -6.895  -4.660  -4.729
  112    HG   LEU  16           HG       LEU  16  -5.157  -3.112  -5.625
  113   HD11  LEU  16          1HD1      LEU  16  -6.162  -1.805  -4.079
  114   HD12  LEU  16          2HD1      LEU  16  -4.790  -2.167  -3.030
  115   HD13  LEU  16          3HD1      LEU  16  -6.261  -3.133  -2.922
  116   HD21  LEU  16          3HD2      LEU  16  -2.970  -3.392  -5.136
  117   HD22  LEU  16          1HD2      LEU  16  -3.409  -4.901  -4.333
  118   HD23  LEU  16          2HD2      LEU  16  -3.307  -3.405  -3.404
  119    H    SER  17           H        SER  17  -6.217  -4.300  -1.131
  120    HA   SER  17           HA       SER  17  -8.836  -5.624  -0.835
  121    HB2  SER  17           2HB      SER  17  -8.696  -5.150   1.493
  122    HB3  SER  17           1HB      SER  17  -7.101  -5.728   1.029
  123    HG   SER  17           HG       SER  17  -7.974  -3.079   1.495
  124    H    GLY  18           H        GLY  18  -7.255  -2.540  -1.239
  125    HA2  GLY  18           2HA      GLY  18  -9.437  -1.175  -2.255
  126    HA3  GLY  18           1HA      GLY  18  -9.472  -0.896  -0.517
  127    H    VAL  19           H        VAL  19  -9.183   1.348  -1.752
  128    HA   VAL  19           HA       VAL  19  -6.332   1.921  -2.205
  129    HB   VAL  19           HB       VAL  19  -7.938   2.777  -3.860
  130   HG11  VAL  19          1HG1      VAL  19  -9.886   3.797  -3.300
  131   HG12  VAL  19          2HG1      VAL  19  -9.107   4.801  -2.078
  132   HG13  VAL  19          3HG1      VAL  19  -9.598   3.156  -1.683
  133   HG21  VAL  19          3HG2      VAL  19  -5.914   4.190  -2.636
  134   HG22  VAL  19          1HG2      VAL  19  -7.269   5.312  -2.520
  135   HG23  VAL  19          2HG2      VAL  19  -6.760   4.706  -4.096
  136    H    CYS  20           H        CYS  20  -5.167   2.551  -0.518
  137    HA   CYS  20           HA       CYS  20  -6.320   3.396   1.965
  138    HB2  CYS  20           2HB      CYS  20  -3.556   3.068   0.877
  139    HB3  CYS  20           1HB      CYS  20  -3.790   3.936   2.392
  140    H    GLU  21           H        GLU  21  -4.903   5.417   2.945
  141    HA   GLU  21           HA       GLU  21  -4.849   7.648   1.075
  142    HB2  GLU  21           2HB      GLU  21  -7.224   7.526   1.785
  143    HB3  GLU  21           1HB      GLU  21  -6.708   7.680   3.465
  144    HG2  GLU  21           2HG      GLU  21  -5.689   9.858   2.977
  145    HG3  GLU  21           1HG      GLU  21  -6.134   9.701   1.278
  146    H    ILE  22           H        ILE  22  -2.809   8.271   1.523
  147    HA   ILE  22           HA       ILE  22  -2.139   8.788   4.362
  148    HB   ILE  22           HB       ILE  22  -0.060   8.201   2.280
  149   HG12  ILE  22          2HG1      ILE  22  -1.752   6.342   2.278
  150   HG13  ILE  22          1HG1      ILE  22  -0.160   5.833   2.845
  151   HG21  ILE  22          1HG2      ILE  22  -0.258   7.993   5.290
  152   HG22  ILE  22          2HG2      ILE  22   0.777   9.070   4.354
  153   HG23  ILE  22          3HG2      ILE  22   1.092   7.335   4.367
  154   HD11  ILE  22          3HD1      ILE  22  -0.904   6.118   5.177
  155   HD12  ILE  22          1HD1      ILE  22  -1.925   4.966   4.315
  156   HD13  ILE  22          2HD1      ILE  22  -2.498   6.609   4.604
  157    H    SER  23           H        SER  23  -1.473  10.799   4.856
  158    HA   SER  23           HA       SER  23  -1.042  13.045   4.608
  159    HB2  SER  23           2HB      SER  23   0.483  13.456   2.463
  160    HB3  SER  23           1HB      SER  23   1.114  12.685   3.914
  161    HG   SER  23           HG       SER  23   0.981  10.741   2.958
  162    H    GLY  24           H        GLY  24  -3.455  11.932   3.361
  163    HA2  GLY  24           2HA      GLY  24  -5.235  12.976   2.275
  164    HA3  GLY  24           1HA      GLY  24  -4.128  14.227   1.716
  165    H    ARG  25           H        ARG  25  -2.372  11.771   0.888
  166    HA   ARG  25           HA       ARG  25  -3.404  11.671  -1.830
  167    HB2  ARG  25           2HB      ARG  25  -0.997  12.056  -1.439
  168    HB3  ARG  25           1HB      ARG  25  -0.887  10.481  -0.655
  169    HG2  ARG  25           2HG      ARG  25  -1.644   9.391  -2.740
  170    HG3  ARG  25           1HG      ARG  25  -1.740  10.968  -3.525
  171    HD2  ARG  25           2HD      ARG  25   0.693  11.295  -3.051
  172    HD3  ARG  25           1HD      ARG  25   0.755   9.656  -2.411
  173    HE   ARG  25           HE       ARG  25  -0.348   9.606  -5.020
  174   HH11  ARG  25          1HH2      ARG  25   2.604  10.165  -3.303
  175   HH12  ARG  25          2HH2      ARG  25   3.621   9.639  -4.603
  176   HH21  ARG  25          1HH1      ARG  25   0.980   8.913  -6.729
  177   HH22  ARG  25          2HH1      ARG  25   2.701   8.930  -6.543
  178    H    LEU  26           H        LEU  26  -3.694   9.674  -2.980
  179    HA   LEU  26           HA       LEU  26  -4.965   7.652  -1.315
  180    HB2  LEU  26           2HB      LEU  26  -4.913   8.303  -4.228
  181    HB3  LEU  26           1HB      LEU  26  -5.334   6.661  -3.741
  182    HG   LEU  26           HG       LEU  26  -7.010   7.709  -2.131
  183   HD11  LEU  26          1HD1      LEU  26  -7.740  10.040  -2.935
  184   HD12  LEU  26          2HD1      LEU  26  -6.164  10.133  -3.722
  185   HD13  LEU  26          3HD1      LEU  26  -6.267   9.956  -1.970
  186   HD21  LEU  26          3HD2      LEU  26  -7.796   6.679  -4.168
  187   HD22  LEU  26          1HD2      LEU  26  -7.294   8.069  -5.128
  188   HD23  LEU  26          2HD2      LEU  26  -8.639   8.218  -3.999
  189    H    TYR  27           H        TYR  27  -4.122   5.743  -0.794
  190    HA   TYR  27           HA       TYR  27  -1.615   4.894  -2.117
  191    HB2  TYR  27           2HB      TYR  27  -2.440   4.909   0.737
  192    HB3  TYR  27           1HB      TYR  27  -1.422   3.594   0.156
  193    HD1  TYR  27           2HD      TYR  27  -1.666   7.322  -0.186
  194    HD2  TYR  27           1HD      TYR  27   0.867   3.886   0.247
  195    HE1  TYR  27           2HE      TYR  27   0.331   8.795  -0.103
  196    HE2  TYR  27           1HE      TYR  27   2.861   5.359   0.313
  197    HH   TYR  27           HH       TYR  27   3.497   7.620  -0.428
  198    H    ARG  28           H        ARG  28  -1.279   2.601  -2.330
  199    HA   ARG  28           HA       ARG  28  -3.813   1.194  -2.815
  200    HB2  ARG  28           2HB      ARG  28  -1.533   1.407  -4.335
  201    HB3  ARG  28           1HB      ARG  28  -1.285  -0.145  -3.534
  202    HG2  ARG  28           2HG      ARG  28  -2.499  -0.729  -5.464
  203    HG3  ARG  28           1HG      ARG  28  -3.742  -0.639  -4.214
  204    HD2  ARG  28           2HD      ARG  28  -4.266   1.674  -4.899
  205    HD3  ARG  28           1HD      ARG  28  -3.029   1.584  -6.148
  206    HE   ARG  28           HE       ARG  28  -4.719  -0.558  -6.615
  207   HH11  ARG  28          1HH2      ARG  28  -4.948   2.886  -6.370
  208   HH12  ARG  28          2HH2      ARG  28  -6.265   3.017  -7.487
  209   HH21  ARG  28          1HH1      ARG  28  -6.446  -0.396  -8.082
  210   HH22  ARG  28          2HH1      ARG  28  -7.113   1.158  -8.456
  211    H    LEU  29           H        LEU  29  -4.465  -0.505  -1.619
  212    HA   LEU  29           HA       LEU  29  -2.684  -1.405   0.553
  213    HB2  LEU  29           2HB      LEU  29  -4.783  -0.499   1.344
  214    HB3  LEU  29           1HB      LEU  29  -5.693  -1.541   0.253
  215    HG   LEU  29           HG       LEU  29  -4.937  -3.533   1.434
  216   HD11  LEU  29          1HD1      LEU  29  -3.097  -1.538   2.709
  217   HD12  LEU  29          2HD1      LEU  29  -2.754  -3.169   2.137
  218   HD13  LEU  29          3HD1      LEU  29  -3.611  -2.933   3.659
  219   HD21  LEU  29          3HD2      LEU  29  -6.278  -3.260   3.307
  220   HD22  LEU  29          1HD2      LEU  29  -6.754  -1.822   2.401
  221   HD23  LEU  29          2HD2      LEU  29  -5.578  -1.693   3.709
  222    H    CYS  30           H        CYS  30  -1.635  -3.233   0.129
  223    HA   CYS  30           HA       CYS  30  -3.087  -5.352  -1.332
  224    HB2  CYS  30           2HB      CYS  30  -0.853  -6.135  -2.106
  225    HB3  CYS  30           1HB      CYS  30  -1.305  -4.557  -2.733
  226    H    CYS  31           H        CYS  31  -2.952  -7.491  -0.523
  227    HA   CYS  31           HA       CYS  31  -1.621  -7.696   2.103
  228    HB2  CYS  31           2HB      CYS  31  -4.103  -9.137   1.177
  229    HB3  CYS  31           1HB      CYS  31  -3.389  -9.199   2.780
  230    H    ARG  32           H        ARG  32  -0.308  -9.414   2.451
  231    HA   ARG  32           HA       ARG  32  -0.285 -11.622   0.526
  232    HB2  ARG  32           2HB      ARG  32   2.105 -11.420   0.126
  233    HB3  ARG  32           1HB      ARG  32   1.291  -9.930  -0.355
  234    HG2  ARG  32           2HG      ARG  32   1.810  -9.167   2.095
  235    HG3  ARG  32           1HG      ARG  32   3.028 -10.444   2.040
  236    HD2  ARG  32           2HD      ARG  32   3.941  -9.448  -0.040
  237    HD3  ARG  32           1HD      ARG  32   2.759  -8.148   0.088
  238    HE   ARG  32           HE       ARG  32   4.162  -8.244   2.514
  239   HH11  ARG  32          1HH2      ARG  32   4.734  -7.635  -0.844
  240   HH12  ARG  32          2HH2      ARG  32   6.043  -6.538  -0.564
  241   HH21  ARG  32          1HH1      ARG  32   5.881  -6.807   2.890
  242   HH22  ARG  32          2HH1      ARG  32   6.694  -6.068   1.550
  Start of MODEL    6
    1    H1   ALA   1           1HT      ALA   1  -2.714 -14.005   4.695
    2    H2   ALA   1           2HT      ALA   1  -2.792 -12.903   5.985
    3    H3   ALA   1           3HT      ALA   1  -1.491 -13.989   5.870
    4    HA   ALA   1           HA       ALA   1  -0.434 -12.815   4.258
    5    HB1  ALA   1           2HB      ALA   1  -3.235 -12.044   3.476
    6    HB2  ALA   1           3HB      ALA   1  -1.992 -12.838   2.508
    7    HB3  ALA   1           1HB      ALA   1  -1.862 -11.117   2.869
    8    H    THR   2           H        THR   2  -0.067 -10.328   3.904
    9    HA   THR   2           HA       THR   2  -0.689  -8.935   6.437
   10    HB   THR   2           HB       THR   2   1.848  -8.855   4.785
   11    HG1  THR   2           1HG      THR   2   2.687 -10.012   6.369
   12   HG21  THR   2          3HG2      THR   2   1.949  -6.731   5.580
   13   HG22  THR   2          1HG2      THR   2   2.375  -7.510   7.103
   14   HG23  THR   2          2HG2      THR   2   0.708  -7.024   6.797
   15    H    CYS   3           H        CYS   3  -2.108  -7.413   6.014
   16    HA   CYS   3           HA       CYS   3  -2.222  -6.104   3.424
   17    HB2  CYS   3           2HB      CYS   3  -3.869  -5.732   5.937
   18    HB3  CYS   3           1HB      CYS   3  -4.182  -4.949   4.392
   19    H    TYR   4           H        TYR   4  -1.528  -4.083   2.961
   20    HA   TYR   4           HA       TYR   4  -1.005  -2.119   5.003
   21    HB2  TYR   4           2HB      TYR   4   1.404  -1.906   4.570
   22    HB3  TYR   4           1HB      TYR   4   1.020  -3.502   5.214
   23    HD1  TYR   4           1HD      TYR   4   1.875  -1.608   2.147
   24    HD2  TYR   4           2HD      TYR   4   1.273  -5.493   3.877
   25    HE1  TYR   4           1HE      TYR   4   2.875  -2.659   0.136
   26    HE2  TYR   4           2HE      TYR   4   2.271  -6.544   1.865
   27    HH   TYR   4           HH       TYR   4   3.959  -4.732  -0.505
   28    H    CYS   5           H        CYS   5  -0.498  -0.035   4.119
   29    HA   CYS   5           HA       CYS   5  -1.450   0.255   1.375
   30    HB2  CYS   5           2HB      CYS   5  -0.677   2.502   3.216
   31    HB3  CYS   5           1HB      CYS   5  -1.816   2.508   1.899
   32    H    ARG   6           H        ARG   6  -0.245   1.115  -0.290
   33    HA   ARG   6           HA       ARG   6   2.549   1.859   0.266
   34    HB2  ARG   6           2HB      ARG   6   3.358   0.495  -1.576
   35    HB3  ARG   6           1HB      ARG   6   2.481  -0.533  -0.443
   36    HG2  ARG   6           2HG      ARG   6   0.728  -0.881  -1.889
   37    HG3  ARG   6           1HG      ARG   6   0.919   0.682  -2.683
   38    HD2  ARG   6           2HD      ARG   6   2.935  -1.549  -2.950
   39    HD3  ARG   6           1HD      ARG   6   1.589  -1.338  -4.067
   40    HE   ARG   6           HE       ARG   6   2.635   1.052  -4.279
   41   HH11  ARG   6          1HH2      ARG   6   4.274  -1.970  -3.853
   42   HH12  ARG   6          2HH2      ARG   6   5.708  -1.465  -4.682
   43   HH21  ARG   6          1HH1      ARG   6   4.516   1.717  -5.369
   44   HH22  ARG   6          2HH1      ARG   6   5.845   0.618  -5.540
   45    H    THR   7           H        THR   7   3.532   3.127  -1.442
   46    HA   THR   7           HA       THR   7   1.580   4.856  -2.748
   47    HB   THR   7           HB       THR   7   3.639   5.693  -1.504
   48    HG1  THR   7           1HG      THR   7   2.753   6.386  -4.033
   49   HG21  THR   7          3HG2      THR   7   4.946   3.855  -3.080
   50   HG22  THR   7          1HG2      THR   7   5.725   5.188  -2.227
   51   HG23  THR   7          2HG2      THR   7   5.277   5.369  -3.923
   52    H    GLY   8           H        GLY   8   1.018   2.820  -4.089
   53    HA2  GLY   8           2HA      GLY   8   1.240   3.044  -6.688
   54    HA3  GLY   8           1HA      GLY   8   2.856   2.430  -6.351
   55    H    ARG   9           H        ARG   9   1.947   0.713  -7.872
   56    HA   ARG   9           HA       ARG   9  -0.001  -1.131  -6.882
   57    HB2  ARG   9           2HB      ARG   9   0.465  -0.845  -9.284
   58    HB3  ARG   9           1HB      ARG   9   2.083  -1.506  -9.037
   59    HG2  ARG   9           2HG      ARG   9   1.182  -3.617  -8.303
   60    HG3  ARG   9           1HG      ARG   9  -0.458  -2.969  -8.301
   61    HD2  ARG   9           2HD      ARG   9  -0.148  -4.261 -10.327
   62    HD3  ARG   9           1HD      ARG   9  -0.247  -2.555 -10.748
   63    HE   ARG   9           HE       ARG   9   2.428  -3.709 -10.386
   64   HH11  ARG   9          1HH2      ARG   9  -0.104  -2.567 -12.455
   65   HH12  ARG   9          2HH2      ARG   9   0.923  -2.376 -13.835
   66   HH21  ARG   9          1HH1      ARG   9   3.778  -3.463 -12.195
   67   HH22  ARG   9          2HH1      ARG   9   3.120  -2.883 -13.688
   68    H    CYS  10           H        CYS  10   0.392  -3.322  -6.255
   69    HA   CYS  10           HA       CYS  10   2.923  -3.623  -4.768
   70    HB2  CYS  10           2HB      CYS  10   0.136  -4.628  -4.343
   71    HB3  CYS  10           1HB      CYS  10   1.492  -5.534  -3.674
   72    H    ALA  11           H        ALA  11   2.895  -6.343  -4.351
   73    HA   ALA  11           HA       ALA  11   3.845  -7.291  -6.920
   74    HB1  ALA  11           1HB      ALA  11   3.774  -9.338  -4.893
   75    HB2  ALA  11           2HB      ALA  11   4.432  -7.846  -4.220
   76    HB3  ALA  11           3HB      ALA  11   5.171  -8.572  -5.647
   77    H    THR  12           H        THR  12   3.188  -9.362  -7.819
   78    HA   THR  12           HA       THR  12   0.407  -9.545  -8.213
   79    HB   THR  12           HB       THR  12   2.566 -11.603  -8.734
   80    HG1  THR  12           1HG      THR  12   1.774  -9.287  -9.930
   81   HG21  THR  12          3HG2      THR  12  -0.354 -11.442  -9.426
   82   HG22  THR  12          1HG2      THR  12   0.576 -12.827  -8.853
   83   HG23  THR  12          2HG2      THR  12   0.767 -12.263 -10.513
   84    H    ARG  13           H        ARG  13   2.612 -11.408  -6.165
   85    HA   ARG  13           HA       ARG  13   0.800 -13.343  -5.257
   86    HB2  ARG  13           2HB      ARG  13   3.116 -12.093  -3.755
   87    HB3  ARG  13           1HB      ARG  13   2.334 -13.624  -3.362
   88    HG2  ARG  13           2HG      ARG  13   3.607 -13.080  -6.054
   89    HG3  ARG  13           1HG      ARG  13   4.484 -13.816  -4.713
   90    HD2  ARG  13           2HD      ARG  13   2.008 -14.901  -6.083
   91    HD3  ARG  13           1HD      ARG  13   3.624 -15.593  -6.106
   92    HE   ARG  13           HE       ARG  13   3.052 -15.533  -3.457
   93   HH11  ARG  13          1HH2      ARG  13   1.351 -16.633  -6.260
   94   HH12  ARG  13          2HH2      ARG  13   0.511 -17.897  -5.425
   95   HH21  ARG  13          1HH1      ARG  13   1.953 -17.186  -2.353
   96   HH22  ARG  13          2HH1      ARG  13   0.852 -18.210  -3.213
   97    H    GLU  14           H        GLU  14   1.242 -10.001  -4.358
   98    HA   GLU  14           HA       GLU  14  -0.247 -10.131  -1.916
   99    HB2  GLU  14           2HB      GLU  14  -0.055  -7.595  -3.470
  100    HB3  GLU  14           1HB      GLU  14   0.150  -7.878  -1.741
  101    HG2  GLU  14           2HG      GLU  14   2.244  -9.266  -2.528
  102    HG3  GLU  14           1HG      GLU  14   2.112  -8.245  -3.957
  103    H    SER  15           H        SER  15  -2.262  -8.732  -1.653
  104    HA   SER  15           HA       SER  15  -4.049  -8.973  -3.990
  105    HB2  SER  15           2HB      SER  15  -5.833  -9.659  -2.294
  106    HB3  SER  15           1HB      SER  15  -4.636 -10.850  -2.757
  107    HG   SER  15           HG       SER  15  -4.886  -9.402  -0.374
  108    H    LEU  16           H        LEU  16  -5.292  -7.267  -4.327
  109    HA   LEU  16           HA       LEU  16  -4.985  -4.950  -2.624
  110    HB2  LEU  16           2HB      LEU  16  -5.594  -5.373  -5.332
  111    HB3  LEU  16           1HB      LEU  16  -7.046  -4.655  -4.634
  112    HG   LEU  16           HG       LEU  16  -5.495  -2.906  -5.425
  113   HD11  LEU  16          1HD1      LEU  16  -6.283  -1.671  -3.719
  114   HD12  LEU  16          2HD1      LEU  16  -5.042  -2.335  -2.654
  115   HD13  LEU  16          3HD1      LEU  16  -6.601  -3.146  -2.807
  116   HD21  LEU  16          3HD2      LEU  16  -3.265  -3.005  -5.052
  117   HD22  LEU  16          1HD2      LEU  16  -3.536  -4.643  -4.457
  118   HD23  LEU  16          2HD2      LEU  16  -3.499  -3.288  -3.327
  119    H    SER  17           H        SER  17  -6.264  -4.359  -1.004
  120    HA   SER  17           HA       SER  17  -8.855  -5.735  -0.697
  121    HB2  SER  17           2HB      SER  17  -8.675  -5.287   1.657
  122    HB3  SER  17           1HB      SER  17  -7.133  -5.949   1.124
  123    HG   SER  17           HG       SER  17  -7.509  -3.182   1.019
  124    H    GLY  18           H        GLY  18  -7.379  -2.669  -1.242
  125    HA2  GLY  18           2HA      GLY  18  -9.625  -1.303  -2.033
  126    HA3  GLY  18           1HA      GLY  18  -9.543  -1.037  -0.295
  127    H    VAL  19           H        VAL  19  -9.362   1.217  -1.527
  128    HA   VAL  19           HA       VAL  19  -6.555   1.826  -2.157
  129    HB   VAL  19           HB       VAL  19  -8.205   2.701  -3.719
  130   HG11  VAL  19          1HG1      VAL  19  -9.529   4.669  -2.125
  131   HG12  VAL  19          2HG1      VAL  19  -9.713   3.114  -1.317
  132   HG13  VAL  19          3HG1      VAL  19 -10.247   3.307  -2.985
  133   HG21  VAL  19          3HG2      VAL  19  -7.497   4.974  -3.749
  134   HG22  VAL  19          1HG2      VAL  19  -6.187   4.102  -2.952
  135   HG23  VAL  19          2HG2      VAL  19  -7.341   5.029  -1.993
  136    H    CYS  20           H        CYS  20  -5.289   2.454  -0.547
  137    HA   CYS  20           HA       CYS  20  -6.308   3.313   2.005
  138    HB2  CYS  20           2HB      CYS  20  -3.623   2.836   0.796
  139    HB3  CYS  20           1HB      CYS  20  -3.733   3.783   2.280
  140    H    GLU  21           H        GLU  21  -5.077   5.302   2.994
  141    HA   GLU  21           HA       GLU  21  -4.907   7.531   1.093
  142    HB2  GLU  21           2HB      GLU  21  -6.325   8.891   2.754
  143    HB3  GLU  21           1HB      GLU  21  -7.181   7.750   1.717
  144    HG2  GLU  21           2HG      GLU  21  -7.130   6.071   3.532
  145    HG3  GLU  21           1HG      GLU  21  -6.305   7.231   4.572
  146    H    ILE  22           H        ILE  22  -2.867   8.165   1.457
  147    HA   ILE  22           HA       ILE  22  -2.095   8.747   4.249
  148    HB   ILE  22           HB       ILE  22  -0.372   7.445   2.129
  149   HG12  ILE  22          2HG1      ILE  22  -1.124   6.375   4.859
  150   HG13  ILE  22          1HG1      ILE  22  -2.118   6.055   3.438
  151   HG21  ILE  22          1HG2      ILE  22   1.230   8.636   3.263
  152   HG22  ILE  22          2HG2      ILE  22   1.060   7.317   4.420
  153   HG23  ILE  22          3HG2      ILE  22   0.214   8.840   4.690
  154   HD11  ILE  22          3HD1      ILE  22   0.017   4.525   4.219
  155   HD12  ILE  22          1HD1      ILE  22   0.755   5.588   3.020
  156   HD13  ILE  22          2HD1      ILE  22  -0.629   4.587   2.578
  157    H    SER  23           H        SER  23  -1.246  10.730   4.551
  158    HA   SER  23           HA       SER  23  -0.565  12.876   4.089
  159    HB2  SER  23           2HB      SER  23   1.319  13.066   2.761
  160    HB3  SER  23           1HB      SER  23   1.327  11.336   3.083
  161    HG   SER  23           HG       SER  23   0.553  12.742   0.769
  162    H    GLY  24           H        GLY  24  -3.148  12.230   3.231
  163    HA2  GLY  24           2HA      GLY  24  -4.841  13.169   1.984
  164    HA3  GLY  24           1HA      GLY  24  -3.665  14.346   1.406
  165    H    ARG  25           H        ARG  25  -2.227  11.539   0.733
  166    HA   ARG  25           HA       ARG  25  -3.285  11.493  -2.010
  167    HB2  ARG  25           2HB      ARG  25  -0.920  11.915  -1.928
  168    HB3  ARG  25           1HB      ARG  25  -0.661  10.550  -0.846
  169    HG2  ARG  25           2HG      ARG  25  -1.422   8.999  -2.603
  170    HG3  ARG  25           1HG      ARG  25  -1.710  10.360  -3.686
  171    HD2  ARG  25           2HD      ARG  25   0.715  10.966  -3.467
  172    HD3  ARG  25           1HD      ARG  25   0.954   9.491  -2.535
  173    HE   ARG  25           HE       ARG  25  -0.297   8.993  -5.078
  174   HH11  ARG  25          1HH2      ARG  25   2.686   9.575  -3.424
  175   HH12  ARG  25          2HH2      ARG  25   3.657   8.747  -4.595
  176   HH21  ARG  25          1HH1      ARG  25   0.970   7.905  -6.617
  177   HH22  ARG  25          2HH1      ARG  25   2.685   7.802  -6.403
  178    H    LEU  26           H        LEU  26  -4.091   9.674  -2.932
  179    HA   LEU  26           HA       LEU  26  -5.077   7.629  -1.202
  180    HB2  LEU  26           2HB      LEU  26  -6.123   6.721  -3.137
  181    HB3  LEU  26           1HB      LEU  26  -6.168   8.473  -3.341
  182    HG   LEU  26           HG       LEU  26  -3.763   7.898  -4.480
  183   HD11  LEU  26          1HD1      LEU  26  -4.032   5.910  -5.882
  184   HD12  LEU  26          2HD1      LEU  26  -5.614   5.595  -5.170
  185   HD13  LEU  26          3HD1      LEU  26  -4.159   5.455  -4.185
  186   HD21  LEU  26          3HD2      LEU  26  -5.289   9.289  -5.621
  187   HD22  LEU  26          1HD2      LEU  26  -6.553   8.059  -5.612
  188   HD23  LEU  26          2HD2      LEU  26  -5.154   7.880  -6.673
  189    H    TYR  27           H        TYR  27  -4.324   5.630  -0.792
  190    HA   TYR  27           HA       TYR  27  -1.829   4.790  -2.143
  191    HB2  TYR  27           2HB      TYR  27  -2.602   4.778   0.723
  192    HB3  TYR  27           1HB      TYR  27  -1.604   3.462   0.106
  193    HD1  TYR  27           2HD      TYR  27  -1.794   7.170  -0.469
  194    HD2  TYR  27           1HD      TYR  27   0.661   3.768   0.437
  195    HE1  TYR  27           2HE      TYR  27   0.212   8.626  -0.418
  196    HE2  TYR  27           1HE      TYR  27   2.667   5.223   0.478
  197    HH   TYR  27           HH       TYR  27   3.123   7.707   0.899
  198    H    ARG  28           H        ARG  28  -1.487   2.428  -2.177
  199    HA   ARG  28           HA       ARG  28  -4.051   1.055  -2.670
  200    HB2  ARG  28           2HB      ARG  28  -1.229   0.397  -3.568
  201    HB3  ARG  28           1HB      ARG  28  -2.659  -0.553  -3.964
  202    HG2  ARG  28           2HG      ARG  28  -2.446   2.393  -4.615
  203    HG3  ARG  28           1HG      ARG  28  -1.907   1.138  -5.732
  204    HD2  ARG  28           2HD      ARG  28  -4.214   0.111  -5.535
  205    HD3  ARG  28           1HD      ARG  28  -4.704   1.550  -4.648
  206    HE   ARG  28           HE       ARG  28  -3.479   2.132  -7.196
  207   HH11  ARG  28          1HH2      ARG  28  -6.373   1.312  -5.485
  208   HH12  ARG  28          2HH2      ARG  28  -7.434   2.000  -6.669
  209   HH21  ARG  28          1HH1      ARG  28  -4.861   3.034  -8.754
  210   HH22  ARG  28          2HH1      ARG  28  -6.577   2.975  -8.521
  211    H    LEU  29           H        LEU  29  -4.692  -0.602  -1.429
  212    HA   LEU  29           HA       LEU  29  -2.875  -1.481   0.716
  213    HB2  LEU  29           2HB      LEU  29  -5.029  -0.602   1.451
  214    HB3  LEU  29           1HB      LEU  29  -5.874  -1.758   0.424
  215    HG   LEU  29           HG       LEU  29  -4.976  -3.630   1.703
  216   HD11  LEU  29          1HD1      LEU  29  -3.296  -1.442   2.881
  217   HD12  LEU  29          2HD1      LEU  29  -2.831  -3.073   2.397
  218   HD13  LEU  29          3HD1      LEU  29  -3.715  -2.819   3.901
  219   HD21  LEU  29          3HD2      LEU  29  -5.770  -1.725   3.876
  220   HD22  LEU  29          1HD2      LEU  29  -6.349  -3.360   3.555
  221   HD23  LEU  29          2HD2      LEU  29  -6.922  -2.012   2.572
  222    H    CYS  30           H        CYS  30  -1.686  -3.163   0.003
  223    HA   CYS  30           HA       CYS  30  -3.110  -5.348  -1.376
  224    HB2  CYS  30           2HB      CYS  30  -0.856  -6.058  -2.141
  225    HB3  CYS  30           1HB      CYS  30  -1.315  -4.473  -2.723
  226    H    CYS  31           H        CYS  31  -2.971  -7.481  -0.580
  227    HA   CYS  31           HA       CYS  31  -1.644  -7.702   2.054
  228    HB2  CYS  31           2HB      CYS  31  -4.088  -9.191   1.104
  229    HB3  CYS  31           1HB      CYS  31  -3.391  -9.230   2.711
  230    H    ARG  32           H        ARG  32  -0.260  -9.365   2.358
  231    HA   ARG  32           HA       ARG  32  -0.210 -11.571   0.423
  232    HB2  ARG  32           2HB      ARG  32   2.149 -11.307  -0.025
  233    HB3  ARG  32           1HB      ARG  32   1.324  -9.800  -0.423
  234    HG2  ARG  32           2HG      ARG  32   1.892  -9.231   2.114
  235    HG3  ARG  32           1HG      ARG  32   3.180 -10.406   1.840
  236    HD2  ARG  32           2HD      ARG  32   3.881  -9.139  -0.172
  237    HD3  ARG  32           1HD      ARG  32   2.626  -7.950   0.161
  238    HE   ARG  32           HE       ARG  32   3.905  -7.150   1.971
  239   HH11  ARG  32          1HH2      ARG  32   5.262  -9.972   0.502
  240   HH12  ARG  32          2HH2      ARG  32   6.793  -9.822   1.298
  241   HH21  ARG  32          1HH1      ARG  32   5.914  -6.945   3.022
  242   HH22  ARG  32          2HH1      ARG  32   7.161  -8.107   2.724
  Start of MODEL    7
    1    H1   ALA   1           1HT      ALA   1  -1.596 -14.138   5.795
    2    H2   ALA   1           2HT      ALA   1  -3.091 -13.746   5.090
    3    H3   ALA   1           3HT      ALA   1  -2.537 -12.887   6.446
    4    HA   ALA   1           HA       ALA   1  -0.644 -12.812   4.314
    5    HB1  ALA   1           2HB      ALA   1  -3.157 -12.903   3.318
    6    HB2  ALA   1           3HB      ALA   1  -1.877 -11.929   2.596
    7    HB3  ALA   1           1HB      ALA   1  -3.047 -11.180   3.682
    8    H    THR   2           H        THR   2  -0.240 -10.364   3.904
    9    HA   THR   2           HA       THR   2  -0.671  -8.886   6.428
   10    HB   THR   2           HB       THR   2   1.792  -8.967   4.664
   11    HG1  THR   2           1HG      THR   2   2.510  -9.480   7.012
   12   HG21  THR   2          3HG2      THR   2   2.257  -7.562   7.076
   13   HG22  THR   2          1HG2      THR   2   0.782  -6.891   6.379
   14   HG23  THR   2          2HG2      THR   2   2.271  -6.915   5.435
   15    H    CYS   3           H        CYS   3  -2.121  -7.374   5.976
   16    HA   CYS   3           HA       CYS   3  -2.213  -6.091   3.370
   17    HB2  CYS   3           2HB      CYS   3  -3.881  -5.704   5.869
   18    HB3  CYS   3           1HB      CYS   3  -4.163  -4.896   4.331
   19    H    TYR   4           H        TYR   4  -1.502  -4.079   2.897
   20    HA   TYR   4           HA       TYR   4  -0.972  -2.107   4.926
   21    HB2  TYR   4           2HB      TYR   4   1.439  -1.923   4.532
   22    HB3  TYR   4           1HB      TYR   4   1.036  -3.521   5.159
   23    HD1  TYR   4           1HD      TYR   4   1.888  -1.617   2.091
   24    HD2  TYR   4           2HD      TYR   4   1.349  -5.501   3.844
   25    HE1  TYR   4           1HE      TYR   4   2.905  -2.662   0.086
   26    HE2  TYR   4           2HE      TYR   4   2.367  -6.547   1.839
   27    HH   TYR   4           HH       TYR   4   4.111  -5.634  -0.023
   28    H    CYS   5           H        CYS   5  -0.477  -0.036   4.036
   29    HA   CYS   5           HA       CYS   5  -1.379   0.237   1.275
   30    HB2  CYS   5           2HB      CYS   5  -0.625   2.529   3.058
   31    HB3  CYS   5           1HB      CYS   5  -1.819   2.459   1.781
   32    H    ARG   6           H        ARG   6  -0.160   1.073  -0.381
   33    HA   ARG   6           HA       ARG   6   2.635   1.807   0.196
   34    HB2  ARG   6           2HB      ARG   6   3.409   0.455  -1.702
   35    HB3  ARG   6           1HB      ARG   6   2.609  -0.563  -0.505
   36    HG2  ARG   6           2HG      ARG   6   0.810  -0.989  -1.859
   37    HG3  ARG   6           1HG      ARG   6   0.898   0.580  -2.657
   38    HD2  ARG   6           2HD      ARG   6   1.552  -1.445  -4.068
   39    HD3  ARG   6           1HD      ARG   6   2.691  -0.104  -4.045
   40    HE   ARG   6           HE       ARG   6   3.074  -2.378  -2.199
   41   HH11  ARG   6          1HH2      ARG   6   4.078  -0.399  -4.861
   42   HH12  ARG   6          2HH2      ARG   6   5.686  -1.039  -4.907
   43   HH21  ARG   6          1HH1      ARG   6   5.181  -3.220  -2.261
   44   HH22  ARG   6          2HH1      ARG   6   6.310  -2.634  -3.437
   45    H    THR   7           H        THR   7   3.604   3.167  -1.382
   46    HA   THR   7           HA       THR   7   1.692   4.879  -2.740
   47    HB   THR   7           HB       THR   7   3.488   5.977  -1.574
   48    HG1  THR   7           1HG      THR   7   4.515   7.015  -3.407
   49   HG21  THR   7          3HG2      THR   7   5.763   5.200  -3.134
   50   HG22  THR   7          1HG2      THR   7   4.995   3.746  -2.496
   51   HG23  THR   7          2HG2      THR   7   5.512   5.024  -1.397
   52    H    GLY   8           H        GLY   8   1.273   2.702  -4.043
   53    HA2  GLY   8           2HA      GLY   8   1.540   3.038  -6.674
   54    HA3  GLY   8           1HA      GLY   8   3.119   2.368  -6.278
   55    H    ARG   9           H        ARG   9   2.320   0.665  -7.800
   56    HA   ARG   9           HA       ARG   9   0.244  -1.113  -6.913
   57    HB2  ARG   9           2HB      ARG   9   2.200  -1.065  -9.158
   58    HB3  ARG   9           1HB      ARG   9   1.467  -2.610  -8.725
   59    HG2  ARG   9           2HG      ARG   9  -0.786  -1.367  -8.792
   60    HG3  ARG   9           1HG      ARG   9   0.088  -0.075  -9.620
   61    HD2  ARG   9           2HD      ARG   9   0.874  -1.757 -11.292
   62    HD3  ARG   9           1HD      ARG   9  -0.136  -2.958 -10.492
   63    HE   ARG   9           HE       ARG   9  -2.056  -1.860 -11.343
   64   HH11  ARG   9          1HH2      ARG   9   0.909  -0.250 -12.112
   65   HH12  ARG   9          2HH2      ARG   9   0.204   0.773 -13.318
   66   HH21  ARG   9          1HH1      ARG   9  -2.991  -0.517 -12.922
   67   HH22  ARG   9          2HH1      ARG   9  -2.004   0.622 -13.776
   68    H    CYS  10           H        CYS  10   0.572  -3.366  -6.398
   69    HA   CYS  10           HA       CYS  10   3.031  -3.753  -4.789
   70    HB2  CYS  10           2HB      CYS  10   0.193  -4.614  -4.409
   71    HB3  CYS  10           1HB      CYS  10   1.480  -5.627  -3.758
   72    H    ALA  11           H        ALA  11   2.992  -6.432  -4.387
   73    HA   ALA  11           HA       ALA  11   3.917  -7.417  -6.947
   74    HB1  ALA  11           1HB      ALA  11   4.507  -7.955  -4.253
   75    HB2  ALA  11           2HB      ALA  11   5.205  -8.736  -5.673
   76    HB3  ALA  11           3HB      ALA  11   3.790  -9.438  -4.886
   77    H    THR  12           H        THR  12   3.244  -9.513  -7.805
   78    HA   THR  12           HA       THR  12   0.465  -9.654  -8.232
   79    HB   THR  12           HB       THR  12   2.592 -11.762  -8.686
   80    HG1  THR  12           1HG      THR  12   3.072 -10.561 -10.318
   81   HG21  THR  12          3HG2      THR  12   0.640 -12.994  -8.873
   82   HG22  THR  12          1HG2      THR  12   0.751 -12.340 -10.508
   83   HG23  THR  12          2HG2      THR  12  -0.325 -11.590  -9.329
   84    H    ARG  13           H        ARG  13   2.610 -11.490  -6.101
   85    HA   ARG  13           HA       ARG  13   0.759 -13.381  -5.177
   86    HB2  ARG  13           2HB      ARG  13   3.097 -12.114  -3.723
   87    HB3  ARG  13           1HB      ARG  13   2.251 -13.571  -3.207
   88    HG2  ARG  13           2HG      ARG  13   3.398 -13.389  -5.982
   89    HG3  ARG  13           1HG      ARG  13   4.428 -13.833  -4.621
   90    HD2  ARG  13           2HD      ARG  13   2.850 -15.662  -4.051
   91    HD3  ARG  13           1HD      ARG  13   1.874 -15.239  -5.454
   92    HE   ARG  13           HE       ARG  13   3.484 -16.227  -6.826
   93   HH11  ARG  13          1HH2      ARG  13   4.601 -15.873  -3.570
   94   HH12  ARG  13          2HH2      ARG  13   6.009 -16.855  -3.800
   95   HH21  ARG  13          1HH1      ARG  13   5.329 -17.516  -7.135
   96   HH22  ARG  13          2HH1      ARG  13   6.421 -17.786  -5.817
   97    H    GLU  14           H        GLU  14   1.262 -10.019  -4.338
   98    HA   GLU  14           HA       GLU  14  -0.254 -10.050  -1.916
   99    HB2  GLU  14           2HB      GLU  14  -0.025  -7.562  -3.548
  100    HB3  GLU  14           1HB      GLU  14   0.173  -7.796  -1.811
  101    HG2  GLU  14           2HG      GLU  14   2.243  -9.255  -2.589
  102    HG3  GLU  14           1HG      GLU  14   2.139  -8.220  -4.010
  103    H    SER  15           H        SER  15  -2.254  -8.632  -1.700
  104    HA   SER  15           HA       SER  15  -4.028  -8.858  -4.041
  105    HB2  SER  15           2HB      SER  15  -5.827  -9.608  -2.377
  106    HB3  SER  15           1HB      SER  15  -4.615 -10.775  -2.868
  107    HG   SER  15           HG       SER  15  -3.542 -10.466  -0.954
  108    H    LEU  16           H        LEU  16  -5.320  -7.157  -4.319
  109    HA   LEU  16           HA       LEU  16  -5.009  -4.872  -2.577
  110    HB2  LEU  16           2HB      LEU  16  -5.827  -5.324  -5.280
  111    HB3  LEU  16           1HB      LEU  16  -7.101  -4.426  -4.456
  112    HG   LEU  16           HG       LEU  16  -5.354  -2.946  -5.480
  113   HD11  LEU  16          1HD1      LEU  16  -6.541  -2.812  -2.945
  114   HD12  LEU  16          2HD1      LEU  16  -5.820  -1.472  -3.836
  115   HD13  LEU  16          3HD1      LEU  16  -4.854  -2.378  -2.670
  116   HD21  LEU  16          3HD2      LEU  16  -3.605  -4.838  -4.414
  117   HD22  LEU  16          1HD2      LEU  16  -3.394  -3.436  -3.365
  118   HD23  LEU  16          2HD2      LEU  16  -3.148  -3.282  -5.105
  119    H    SER  17           H        SER  17  -6.267  -4.304  -0.933
  120    HA   SER  17           HA       SER  17  -8.819  -5.740  -0.577
  121    HB2  SER  17           2HB      SER  17  -8.579  -5.322   1.783
  122    HB3  SER  17           1HB      SER  17  -7.050  -5.963   1.194
  123    HG   SER  17           HG       SER  17  -7.298  -3.229   1.023
  124    H    GLY  18           H        GLY  18  -7.424  -2.648  -1.143
  125    HA2  GLY  18           2HA      GLY  18  -9.728  -1.308  -1.808
  126    HA3  GLY  18           1HA      GLY  18  -9.560  -1.060  -0.072
  127    H    VAL  19           H        VAL  19  -9.474   1.211  -1.285
  128    HA   VAL  19           HA       VAL  19  -6.713   1.864  -2.066
  129    HB   VAL  19           HB       VAL  19  -8.169   2.888  -3.576
  130   HG11  VAL  19          1HG1      VAL  19 -10.347   2.599  -2.949
  131   HG12  VAL  19          2HG1      VAL  19 -10.185   4.249  -2.350
  132   HG13  VAL  19          3HG1      VAL  19  -9.999   2.887  -1.244
  133   HG21  VAL  19          3HG2      VAL  19  -6.655   4.525  -2.309
  134   HG22  VAL  19          1HG2      VAL  19  -8.105   5.011  -1.428
  135   HG23  VAL  19          2HG2      VAL  19  -8.021   5.229  -3.178
  136    H    CYS  20           H        CYS  20  -5.362   2.498  -0.528
  137    HA   CYS  20           HA       CYS  20  -6.271   3.338   2.079
  138    HB2  CYS  20           2HB      CYS  20  -3.657   2.776   0.778
  139    HB3  CYS  20           1HB      CYS  20  -3.657   3.786   2.224
  140    H    GLU  21           H        GLU  21  -5.064   5.318   3.051
  141    HA   GLU  21           HA       GLU  21  -4.920   7.547   1.140
  142    HB2  GLU  21           2HB      GLU  21  -6.685   7.484   3.600
  143    HB3  GLU  21           1HB      GLU  21  -6.324   8.938   2.667
  144    HG2  GLU  21           2HG      GLU  21  -8.343   8.225   1.717
  145    HG3  GLU  21           1HG      GLU  21  -7.144   7.531   0.626
  146    H    ILE  22           H        ILE  22  -2.872   8.190   1.451
  147    HA   ILE  22           HA       ILE  22  -2.001   8.723   4.227
  148    HB   ILE  22           HB       ILE  22  -0.334   7.534   1.999
  149   HG12  ILE  22          2HG1      ILE  22  -0.965   6.327   4.698
  150   HG13  ILE  22          1HG1      ILE  22  -2.020   6.065   3.309
  151   HG21  ILE  22          1HG2      ILE  22   1.468   7.495   3.652
  152   HG22  ILE  22          2HG2      ILE  22   0.404   8.208   4.864
  153   HG23  ILE  22          3HG2      ILE  22   0.891   9.150   3.455
  154   HD11  ILE  22          3HD1      ILE  22  -0.586   4.604   2.369
  155   HD12  ILE  22          1HD1      ILE  22   0.233   4.572   3.931
  156   HD13  ILE  22          2HD1      ILE  22   0.799   5.656   2.659
  157    H    SER  23           H        SER  23  -1.059  10.670   4.560
  158    HA   SER  23           HA       SER  23  -0.394  12.829   4.148
  159    HB2  SER  23           2HB      SER  23   1.360  13.067   2.669
  160    HB3  SER  23           1HB      SER  23   1.352  11.315   2.850
  161    HG   SER  23           HG       SER  23   1.050  11.302   0.775
  162    H    GLY  24           H        GLY  24  -3.038  11.826   3.165
  163    HA2  GLY  24           2HA      GLY  24  -4.857  12.930   2.236
  164    HA3  GLY  24           1HA      GLY  24  -3.765  14.197   1.684
  165    H    ARG  25           H        ARG  25  -2.412  11.345   0.752
  166    HA   ARG  25           HA       ARG  25  -3.591  11.550  -1.942
  167    HB2  ARG  25           2HB      ARG  25  -1.230  11.998  -1.966
  168    HB3  ARG  25           1HB      ARG  25  -0.898  10.551  -1.018
  169    HG2  ARG  25           2HG      ARG  25  -1.740   9.135  -2.838
  170    HG3  ARG  25           1HG      ARG  25  -2.136  10.569  -3.786
  171    HD2  ARG  25           2HD      ARG  25   0.647   9.876  -2.821
  172    HD3  ARG  25           1HD      ARG  25   0.043   9.530  -4.439
  173    HE   ARG  25           HE       ARG  25   0.828  12.123  -3.401
  174   HH11  ARG  25          1HH2      ARG  25  -1.002  10.342  -5.736
  175   HH12  ARG  25          2HH2      ARG  25  -1.041  11.629  -6.894
  176   HH21  ARG  25          1HH1      ARG  25   0.784  13.817  -4.916
  177   HH22  ARG  25          2HH1      ARG  25  -0.029  13.597  -6.430
  178    H    LEU  26           H        LEU  26  -4.243   9.711  -3.047
  179    HA   LEU  26           HA       LEU  26  -5.293   7.611  -1.421
  180    HB2  LEU  26           2HB      LEU  26  -5.069   7.910  -4.427
  181    HB3  LEU  26           1HB      LEU  26  -5.949   6.610  -3.623
  182    HG   LEU  26           HG       LEU  26  -6.500   9.555  -3.170
  183   HD11  LEU  26          1HD1      LEU  26  -8.560   9.100  -4.536
  184   HD12  LEU  26          2HD1      LEU  26  -7.873   7.531  -4.963
  185   HD13  LEU  26          3HD1      LEU  26  -7.066   9.016  -5.468
  186   HD21  LEU  26          3HD2      LEU  26  -7.527   8.636  -1.356
  187   HD22  LEU  26          1HD2      LEU  26  -7.471   7.009  -2.037
  188   HD23  LEU  26          2HD2      LEU  26  -8.750   8.124  -2.520
  189    H    TYR  27           H        TYR  27  -4.468   5.679  -0.925
  190    HA   TYR  27           HA       TYR  27  -1.969   4.824  -2.252
  191    HB2  TYR  27           2HB      TYR  27  -2.736   4.893   0.614
  192    HB3  TYR  27           1HB      TYR  27  -1.747   3.554   0.041
  193    HD1  TYR  27           2HD      TYR  27  -1.936   7.252  -0.575
  194    HD2  TYR  27           1HD      TYR  27   0.537   3.849   0.285
  195    HE1  TYR  27           2HE      TYR  27   0.075   8.704  -0.568
  196    HE2  TYR  27           1HE      TYR  27   2.543   5.305   0.289
  197    HH   TYR  27           HH       TYR  27   3.126   7.629  -0.853
  198    H    ARG  28           H        ARG  28  -1.623   2.484  -2.291
  199    HA   ARG  28           HA       ARG  28  -4.185   1.069  -2.685
  200    HB2  ARG  28           2HB      ARG  28  -1.394   0.597  -3.752
  201    HB3  ARG  28           1HB      ARG  28  -2.690  -0.588  -3.925
  202    HG2  ARG  28           2HG      ARG  28  -4.075   1.092  -5.080
  203    HG3  ARG  28           1HG      ARG  28  -2.785   2.281  -4.905
  204    HD2  ARG  28           2HD      ARG  28  -1.281   0.845  -6.231
  205    HD3  ARG  28           1HD      ARG  28  -2.567  -0.345  -6.404
  206    HE   ARG  28           HE       ARG  28  -2.283   2.087  -7.904
  207   HH11  ARG  28          1HH2      ARG  28  -4.531  -0.155  -6.526
  208   HH12  ARG  28          2HH2      ARG  28  -5.787   0.189  -7.667
  209   HH21  ARG  28          1HH1      ARG  28  -3.926   2.543  -9.407
  210   HH22  ARG  28          2HH1      ARG  28  -5.444   1.716  -9.299
  211    H    LEU  29           H        LEU  29  -4.749  -0.597  -1.419
  212    HA   LEU  29           HA       LEU  29  -2.838  -1.438   0.660
  213    HB2  LEU  29           2HB      LEU  29  -4.951  -0.565   1.503
  214    HB3  LEU  29           1HB      LEU  29  -5.849  -1.707   0.506
  215    HG   LEU  29           HG       LEU  29  -4.909  -3.592   1.729
  216   HD11  LEU  29          1HD1      LEU  29  -2.739  -3.055   2.334
  217   HD12  LEU  29          2HD1      LEU  29  -3.556  -2.819   3.878
  218   HD13  LEU  29          3HD1      LEU  29  -3.171  -1.428   2.863
  219   HD21  LEU  29          3HD2      LEU  29  -5.596  -1.744   3.974
  220   HD22  LEU  29          1HD2      LEU  29  -6.238  -3.343   3.601
  221   HD23  LEU  29          2HD2      LEU  29  -6.795  -1.935   2.696
  222    H    CYS  30           H        CYS  30  -1.662  -3.090  -0.158
  223    HA   CYS  30           HA       CYS  30  -3.115  -5.294  -1.454
  224    HB2  CYS  30           2HB      CYS  30  -0.902  -6.030  -2.257
  225    HB3  CYS  30           1HB      CYS  30  -1.290  -4.404  -2.794
  226    H    CYS  31           H        CYS  31  -2.937  -7.438  -0.674
  227    HA   CYS  31           HA       CYS  31  -1.630  -7.671   1.966
  228    HB2  CYS  31           2HB      CYS  31  -4.099  -9.133   1.033
  229    HB3  CYS  31           1HB      CYS  31  -3.396  -9.157   2.640
  230    H    ARG  32           H        ARG  32  -0.205  -9.292   2.202
  231    HA   ARG  32           HA       ARG  32  -0.225 -11.507   0.264
  232    HB2  ARG  32           2HB      ARG  32   2.156 -11.313  -0.114
  233    HB3  ARG  32           1HB      ARG  32   1.388  -9.776  -0.514
  234    HG2  ARG  32           2HG      ARG  32   1.901  -9.246   2.037
  235    HG3  ARG  32           1HG      ARG  32   3.152 -10.469   1.800
  236    HD2  ARG  32           2HD      ARG  32   3.969  -9.218  -0.179
  237    HD3  ARG  32           1HD      ARG  32   2.751  -7.980   0.125
  238    HE   ARG  32           HE       ARG  32   4.011  -7.244   1.976
  239   HH11  ARG  32          1HH2      ARG  32   5.276 -10.135   0.557
  240   HH12  ARG  32          2HH2      ARG  32   6.783 -10.061   1.410
  241   HH21  ARG  32          1HH1      ARG  32   5.985  -7.142   3.102
  242   HH22  ARG  32          2HH1      ARG  32   7.183  -8.366   2.851
  Start of MODEL    8
    1    H1   ALA   1           1HT      ALA   1  -3.251 -13.532   5.296
    2    H2   ALA   1           2HT      ALA   1  -2.212 -13.062   6.556
    3    H3   ALA   1           3HT      ALA   1  -1.759 -14.311   5.499
    4    HA   ALA   1           HA       ALA   1  -0.688 -12.811   4.293
    5    HB1  ALA   1           2HB      ALA   1  -3.215 -12.940   3.344
    6    HB2  ALA   1           3HB      ALA   1  -1.971 -11.928   2.609
    7    HB3  ALA   1           1HB      ALA   1  -3.136 -11.221   3.729
    8    H    THR   2           H        THR   2  -0.255 -10.394   3.932
    9    HA   THR   2           HA       THR   2  -0.718  -8.917   6.451
   10    HB   THR   2           HB       THR   2   1.768  -8.992   4.717
   11    HG1  THR   2           1HG      THR   2   2.500 -10.279   6.200
   12   HG21  THR   2          3HG2      THR   2   0.773  -7.059   6.718
   13   HG22  THR   2          1HG2      THR   2   1.964  -6.841   5.436
   14   HG23  THR   2          2HG2      THR   2   2.436  -7.595   6.959
   15    H    CYS   3           H        CYS   3  -2.151  -7.383   5.992
   16    HA   CYS   3           HA       CYS   3  -2.207  -6.106   3.381
   17    HB2  CYS   3           2HB      CYS   3  -3.909  -5.682   5.853
   18    HB3  CYS   3           1HB      CYS   3  -4.175  -4.920   4.292
   19    H    TYR   4           H        TYR   4  -1.497  -4.089   2.918
   20    HA   TYR   4           HA       TYR   4  -0.963  -2.132   4.964
   21    HB2  TYR   4           2HB      TYR   4   1.443  -1.948   4.580
   22    HB3  TYR   4           1HB      TYR   4   1.041  -3.558   5.176
   23    HD1  TYR   4           1HD      TYR   4   1.971  -1.591   2.182
   24    HD2  TYR   4           2HD      TYR   4   1.278  -5.516   3.784
   25    HE1  TYR   4           1HE      TYR   4   2.990  -2.597   0.157
   26    HE2  TYR   4           2HE      TYR   4   2.295  -6.522   1.758
   27    HH   TYR   4           HH       TYR   4   3.225  -4.539  -1.009
   28    H    CYS   5           H        CYS   5  -0.447  -0.062   4.090
   29    HA   CYS   5           HA       CYS   5  -1.375   0.250   1.338
   30    HB2  CYS   5           2HB      CYS   5  -0.590   2.499   3.172
   31    HB3  CYS   5           1HB      CYS   5  -1.746   2.495   1.881
   32    H    ARG   6           H        ARG   6  -0.191   1.243  -0.293
   33    HA   ARG   6           HA       ARG   6   2.622   1.896   0.251
   34    HB2  ARG   6           2HB      ARG   6   3.393   0.557  -1.639
   35    HB3  ARG   6           1HB      ARG   6   2.551  -0.478  -0.481
   36    HG2  ARG   6           2HG      ARG   6   0.696  -0.746  -1.849
   37    HG3  ARG   6           1HG      ARG   6   0.985   0.757  -2.719
   38    HD2  ARG   6           2HD      ARG   6   1.507  -1.469  -3.928
   39    HD3  ARG   6           1HD      ARG   6   2.688  -0.169  -4.031
   40    HE   ARG   6           HE       ARG   6   3.026  -2.173  -1.908
   41   HH11  ARG   6          1HH2      ARG   6   3.955  -0.810  -4.950
   42   HH12  ARG   6          2HH2      ARG   6   5.504  -1.582  -4.979
   43   HH21  ARG   6          1HH1      ARG   6   5.056  -3.187  -1.940
   44   HH22  ARG   6          2HH1      ARG   6   6.128  -2.928  -3.276
   45    H    THR   7           H        THR   7   3.610   3.186  -1.419
   46    HA   THR   7           HA       THR   7   1.710   4.993  -2.665
   47    HB   THR   7           HB       THR   7   4.730   5.032  -2.823
   48    HG1  THR   7           1HG      THR   7   4.150   6.762  -1.137
   49   HG21  THR   7          3HG2      THR   7   4.385   7.413  -3.295
   50   HG22  THR   7          1HG2      THR   7   2.641   7.205  -3.149
   51   HG23  THR   7          2HG2      THR   7   3.514   6.431  -4.470
   52    H    GLY   8           H        GLY   8   1.109   2.815  -3.919
   53    HA2  GLY   8           2HA      GLY   8   1.161   3.106  -6.548
   54    HA3  GLY   8           1HA      GLY   8   2.776   2.452  -6.298
   55    H    ARG   9           H        ARG   9   1.911   0.712  -7.706
   56    HA   ARG   9           HA       ARG   9  -0.074  -1.074  -6.614
   57    HB2  ARG   9           2HB      ARG   9   1.575  -0.938  -9.080
   58    HB3  ARG   9           1HB      ARG   9   1.031  -2.538  -8.571
   59    HG2  ARG   9           2HG      ARG   9  -1.306  -1.433  -8.319
   60    HG3  ARG   9           1HG      ARG   9  -0.632  -0.129  -9.298
   61    HD2  ARG   9           2HD      ARG   9  -0.569  -3.041 -10.104
   62    HD3  ARG   9           1HD      ARG   9  -1.829  -1.919 -10.612
   63    HE   ARG   9           HE       ARG   9   0.662  -0.780 -11.246
   64   HH11  ARG   9          1HH2      ARG   9  -1.343  -3.474 -12.082
   65   HH12  ARG   9          2HH2      ARG   9  -0.761  -3.579 -13.710
   66   HH21  ARG   9          1HH1      ARG   9   1.429  -0.910 -13.380
   67   HH22  ARG   9          2HH1      ARG   9   0.808  -2.127 -14.444
   68    H    CYS  10           H        CYS  10   0.337  -3.322  -6.118
   69    HA   CYS  10           HA       CYS  10   2.937  -3.654  -4.752
   70    HB2  CYS  10           2HB      CYS  10   0.179  -4.677  -4.245
   71    HB3  CYS  10           1HB      CYS  10   1.547  -5.645  -3.706
   72    H    ALA  11           H        ALA  11   2.947  -6.391  -4.448
   73    HA   ALA  11           HA       ALA  11   3.795  -7.228  -7.094
   74    HB1  ALA  11           1HB      ALA  11   4.399  -7.949  -4.380
   75    HB2  ALA  11           2HB      ALA  11   5.256  -8.392  -5.857
   76    HB3  ALA  11           3HB      ALA  11   3.927  -9.394  -5.273
   77    H    THR  12           H        THR  12   3.158  -9.360  -7.956
   78    HA   THR  12           HA       THR  12   0.372  -9.566  -8.295
   79    HB   THR  12           HB       THR  12   2.518 -11.645  -8.792
   80    HG1  THR  12           1HG      THR  12   1.934  -9.317  -9.949
   81   HG21  THR  12          3HG2      THR  12  -0.408 -11.495  -9.379
   82   HG22  THR  12          1HG2      THR  12   0.583 -12.895  -8.967
   83   HG23  THR  12          2HG2      THR  12   0.647 -12.217 -10.594
   84    H    ARG  13           H        ARG  13   2.623 -11.399  -6.255
   85    HA   ARG  13           HA       ARG  13   0.831 -13.315  -5.274
   86    HB2  ARG  13           2HB      ARG  13   3.154 -12.017  -3.818
   87    HB3  ARG  13           1HB      ARG  13   2.392 -13.551  -3.398
   88    HG2  ARG  13           2HG      ARG  13   3.610 -13.042  -6.115
   89    HG3  ARG  13           1HG      ARG  13   4.534 -13.723  -4.776
   90    HD2  ARG  13           2HD      ARG  13   2.757 -15.509  -4.581
   91    HD3  ARG  13           1HD      ARG  13   2.056 -14.885  -6.069
   92    HE   ARG  13           HE       ARG  13   4.879 -15.693  -6.100
   93   HH11  ARG  13          1HH2      ARG  13   1.568 -16.208  -6.967
   94   HH12  ARG  13          2HH2      ARG  13   1.929 -17.364  -8.204
   95   HH21  ARG  13          1HH1      ARG  13   5.359 -17.210  -7.721
   96   HH22  ARG  13          2HH1      ARG  13   4.075 -17.932  -8.632
   97    H    GLU  14           H        GLU  14   1.295  -9.953  -4.426
   98    HA   GLU  14           HA       GLU  14  -0.164 -10.031  -1.969
   99    HB2  GLU  14           2HB      GLU  14  -0.010  -7.529  -3.579
  100    HB3  GLU  14           1HB      GLU  14   0.230  -7.778  -1.848
  101    HG2  GLU  14           2HG      GLU  14   2.289  -9.238  -2.793
  102    HG3  GLU  14           1HG      GLU  14   2.164  -8.032  -4.072
  103    H    SER  15           H        SER  15  -2.210  -8.806  -1.641
  104    HA   SER  15           HA       SER  15  -4.022  -9.029  -3.966
  105    HB2  SER  15           2HB      SER  15  -5.768  -9.732  -2.190
  106    HB3  SER  15           1HB      SER  15  -4.596 -10.904  -2.730
  107    HG   SER  15           HG       SER  15  -5.032 -10.113  -0.282
  108    H    LEU  16           H        LEU  16  -5.310  -7.327  -4.277
  109    HA   LEU  16           HA       LEU  16  -5.001  -5.004  -2.584
  110    HB2  LEU  16           2HB      LEU  16  -5.794  -5.510  -5.280
  111    HB3  LEU  16           1HB      LEU  16  -7.086  -4.612  -4.484
  112    HG   LEU  16           HG       LEU  16  -5.338  -3.138  -5.525
  113   HD11  LEU  16          1HD1      LEU  16  -6.370  -1.890  -3.912
  114   HD12  LEU  16          2HD1      LEU  16  -4.821  -2.054  -3.086
  115   HD13  LEU  16          3HD1      LEU  16  -6.157  -3.129  -2.675
  116   HD21  LEU  16          3HD2      LEU  16  -3.136  -3.452  -5.103
  117   HD22  LEU  16          1HD2      LEU  16  -3.592  -4.980  -4.350
  118   HD23  LEU  16          2HD2      LEU  16  -3.414  -3.528  -3.362
  119    H    SER  17           H        SER  17  -6.256  -4.434  -0.937
  120    HA   SER  17           HA       SER  17  -8.818  -5.855  -0.587
  121    HB2  SER  17           2HB      SER  17  -8.579  -5.504   1.758
  122    HB3  SER  17           1HB      SER  17  -7.004  -6.032   1.183
  123    HG   SER  17           HG       SER  17  -7.092  -3.421   0.909
  124    H    GLY  18           H        GLY  18  -7.369  -2.753  -1.059
  125    HA2  GLY  18           2HA      GLY  18  -9.677  -1.423  -1.794
  126    HA3  GLY  18           1HA      GLY  18  -9.514  -1.146  -0.062
  127    H    VAL  19           H        VAL  19  -9.417   1.101  -1.315
  128    HA   VAL  19           HA       VAL  19  -6.650   1.726  -2.104
  129    HB   VAL  19           HB       VAL  19  -8.024   2.774  -3.639
  130   HG11  VAL  19          1HG1      VAL  19 -10.241   3.753  -3.043
  131   HG12  VAL  19          2HG1      VAL  19  -9.994   3.228  -1.377
  132   HG13  VAL  19          3HG1      VAL  19 -10.139   2.033  -2.665
  133   HG21  VAL  19          3HG2      VAL  19  -8.183   4.858  -1.455
  134   HG22  VAL  19          1HG2      VAL  19  -8.025   5.115  -3.193
  135   HG23  VAL  19          2HG2      VAL  19  -6.669   4.464  -2.270
  136    H    CYS  20           H        CYS  20  -5.297   2.386  -0.581
  137    HA   CYS  20           HA       CYS  20  -6.213   3.293   1.999
  138    HB2  CYS  20           2HB      CYS  20  -3.587   2.687   0.738
  139    HB3  CYS  20           1HB      CYS  20  -3.598   3.734   2.158
  140    H    GLU  21           H        GLU  21  -4.888   5.283   2.903
  141    HA   GLU  21           HA       GLU  21  -4.701   7.459   0.951
  142    HB2  GLU  21           2HB      GLU  21  -6.637   7.475   3.281
  143    HB3  GLU  21           1HB      GLU  21  -6.192   8.903   2.347
  144    HG2  GLU  21           2HG      GLU  21  -7.025   7.850   0.293
  145    HG3  GLU  21           1HG      GLU  21  -7.429   6.389   1.192
  146    H    ILE  22           H        ILE  22  -2.738   8.249   1.375
  147    HA   ILE  22           HA       ILE  22  -2.001   8.727   4.202
  148    HB   ILE  22           HB       ILE  22   0.036   8.027   2.109
  149   HG12  ILE  22          2HG1      ILE  22  -1.760   6.231   2.270
  150   HG13  ILE  22          1HG1      ILE  22  -0.132   5.699   2.681
  151   HG21  ILE  22          1HG2      ILE  22  -0.117   7.975   5.125
  152   HG22  ILE  22          2HG2      ILE  22   0.960   8.940   4.116
  153   HG23  ILE  22          3HG2      ILE  22   1.185   7.195   4.228
  154   HD11  ILE  22          3HD1      ILE  22  -0.609   5.944   5.059
  155   HD12  ILE  22          1HD1      ILE  22  -1.834   4.912   4.322
  156   HD13  ILE  22          2HD1      ILE  22  -2.203   6.592   4.700
  157    H    SER  23           H        SER  23  -1.274  10.724   4.650
  158    HA   SER  23           HA       SER  23  -0.798  12.954   4.358
  159    HB2  SER  23           2HB      SER  23   0.746  13.374   2.301
  160    HB3  SER  23           1HB      SER  23   1.347  12.393   3.633
  161    HG   SER  23           HG       SER  23   0.938  11.717   1.064
  162    H    GLY  24           H        GLY  24  -3.246  11.843   3.152
  163    HA2  GLY  24           2HA      GLY  24  -5.030  12.882   2.068
  164    HA3  GLY  24           1HA      GLY  24  -3.923  14.128   1.499
  165    H    ARG  25           H        ARG  25  -2.140  11.739   0.634
  166    HA   ARG  25           HA       ARG  25  -3.161  11.641  -2.073
  167    HB2  ARG  25           2HB      ARG  25  -0.742  11.935  -1.597
  168    HB3  ARG  25           1HB      ARG  25  -0.720  10.323  -0.901
  169    HG2  ARG  25           2HG      ARG  25  -1.496   9.385  -3.058
  170    HG3  ARG  25           1HG      ARG  25  -1.470  11.006  -3.754
  171    HD2  ARG  25           2HD      ARG  25   0.984  11.117  -3.088
  172    HD3  ARG  25           1HD      ARG  25   0.878   9.397  -2.731
  173    HE   ARG  25           HE       ARG  25   1.071  10.569  -5.328
  174   HH11  ARG  25          1HH2      ARG  25  -0.380   8.008  -3.513
  175   HH12  ARG  25          2HH2      ARG  25  -0.511   6.937  -4.868
  176   HH21  ARG  25          1HH1      ARG  25   0.902   9.173  -7.109
  177   HH22  ARG  25          2HH1      ARG  25   0.215   7.597  -6.905
  178    H    LEU  26           H        LEU  26  -3.544   9.687  -3.246
  179    HA   LEU  26           HA       LEU  26  -4.965   7.726  -1.661
  180    HB2  LEU  26           2HB      LEU  26  -4.563   8.206  -4.609
  181    HB3  LEU  26           1HB      LEU  26  -5.263   6.690  -4.037
  182    HG   LEU  26           HG       LEU  26  -6.954   8.497  -4.588
  183   HD11  LEU  26          1HD1      LEU  26  -7.574   8.200  -1.805
  184   HD12  LEU  26          2HD1      LEU  26  -6.793   6.721  -2.360
  185   HD13  LEU  26          3HD1      LEU  26  -8.242   7.311  -3.173
  186   HD21  LEU  26          3HD2      LEU  26  -5.886   9.744  -2.038
  187   HD22  LEU  26          1HD2      LEU  26  -7.185  10.361  -3.057
  188   HD23  LEU  26          2HD2      LEU  26  -5.524  10.354  -3.653
  189    H    TYR  27           H        TYR  27  -4.267   5.780  -1.052
  190    HA   TYR  27           HA       TYR  27  -1.724   4.774  -2.176
  191    HB2  TYR  27           2HB      TYR  27  -2.657   4.990   0.625
  192    HB3  TYR  27           1HB      TYR  27  -1.707   3.584   0.163
  193    HD1  TYR  27           2HD      TYR  27  -1.672   7.271  -0.507
  194    HD2  TYR  27           1HD      TYR  27   0.582   3.743   0.455
  195    HE1  TYR  27           2HE      TYR  27   0.413   8.612  -0.423
  196    HE2  TYR  27           1HE      TYR  27   2.662   5.092   0.532
  197    HH   TYR  27           HH       TYR  27   3.452   7.241   0.668
  198    H    ARG  28           H        ARG  28  -1.499   2.475  -2.306
  199    HA   ARG  28           HA       ARG  28  -4.095   1.131  -2.701
  200    HB2  ARG  28           2HB      ARG  28  -1.306   0.593  -3.739
  201    HB3  ARG  28           1HB      ARG  28  -2.616  -0.578  -3.904
  202    HG2  ARG  28           2HG      ARG  28  -2.811   0.613  -5.901
  203    HG3  ARG  28           1HG      ARG  28  -3.945   1.481  -4.867
  204    HD2  ARG  28           2HD      ARG  28  -2.168   3.118  -4.318
  205    HD3  ARG  28           1HD      ARG  28  -1.066   2.266  -5.394
  206    HE   ARG  28           HE       ARG  28  -3.381   2.923  -6.850
  207   HH11  ARG  28          1HH2      ARG  28  -0.706   4.418  -5.243
  208   HH12  ARG  28          2HH2      ARG  28  -0.674   5.800  -6.287
  209   HH21  ARG  28          1HH1      ARG  28  -3.346   4.733  -8.222
  210   HH22  ARG  28          2HH1      ARG  28  -2.169   5.979  -7.971
  211    H    LEU  29           H        LEU  29  -4.699  -0.590  -1.514
  212    HA   LEU  29           HA       LEU  29  -2.879  -1.443   0.636
  213    HB2  LEU  29           2HB      LEU  29  -5.022  -0.550   1.403
  214    HB3  LEU  29           1HB      LEU  29  -5.886  -1.698   0.378
  215    HG   LEU  29           HG       LEU  29  -4.993  -3.585   1.634
  216   HD11  LEU  29          1HD1      LEU  29  -3.272  -1.424   2.804
  217   HD12  LEU  29          2HD1      LEU  29  -2.843  -3.066   2.327
  218   HD13  LEU  29          3HD1      LEU  29  -3.713  -2.785   3.835
  219   HD21  LEU  29          3HD2      LEU  29  -5.784  -1.641   3.793
  220   HD22  LEU  29          1HD2      LEU  29  -6.306  -3.307   3.543
  221   HD23  LEU  29          2HD2      LEU  29  -6.942  -2.020   2.518
  222    H    CYS  30           H        CYS  30  -1.710  -3.143  -0.037
  223    HA   CYS  30           HA       CYS  30  -3.128  -5.334  -1.404
  224    HB2  CYS  30           2HB      CYS  30  -0.937  -6.049  -2.221
  225    HB3  CYS  30           1HB      CYS  30  -1.287  -4.403  -2.705
  226    H    CYS  31           H        CYS  31  -2.880  -7.486  -0.653
  227    HA   CYS  31           HA       CYS  31  -1.635  -7.710   2.014
  228    HB2  CYS  31           2HB      CYS  31  -4.084  -9.172   1.057
  229    HB3  CYS  31           1HB      CYS  31  -3.404  -9.201   2.663
  230    H    ARG  32           H        ARG  32  -0.404  -9.490   2.414
  231    HA   ARG  32           HA       ARG  32  -0.309 -11.645   0.423
  232    HB2  ARG  32           2HB      ARG  32   2.136 -11.474   0.210
  233    HB3  ARG  32           1HB      ARG  32   1.333 -10.021  -0.388
  234    HG2  ARG  32           2HG      ARG  32   1.675  -9.104   2.017
  235    HG3  ARG  32           1HG      ARG  32   2.851 -10.407   2.187
  236    HD2  ARG  32           2HD      ARG  32   3.975  -9.577   0.101
  237    HD3  ARG  32           1HD      ARG  32   2.865  -8.206   0.110
  238    HE   ARG  32           HE       ARG  32   4.293  -8.529   2.602
  239   HH11  ARG  32          1HH2      ARG  32   4.373  -7.262  -0.616
  240   HH12  ARG  32          2HH2      ARG  32   5.530  -6.026  -0.249
  241   HH21  ARG  32          1HH1      ARG  32   5.810  -6.912   3.093
  242   HH22  ARG  32          2HH1      ARG  32   6.343  -5.828   1.851
  Start of MODEL    9
    1    H1   ALA   1           1HT      ALA   1  -2.808 -13.972   4.895
    2    H2   ALA   1           2HT      ALA   1  -2.920 -12.811   6.131
    3    H3   ALA   1           3HT      ALA   1  -1.602 -13.883   6.084
    4    HA   ALA   1           HA       ALA   1  -0.559 -12.792   4.391
    5    HB1  ALA   1           2HB      ALA   1  -1.813 -11.272   2.842
    6    HB2  ALA   1           3HB      ALA   1  -3.300 -11.711   3.679
    7    HB3  ALA   1           1HB      ALA   1  -2.391 -12.938   2.798
    8    H    THR   2           H        THR   2  -0.198 -10.302   3.965
    9    HA   THR   2           HA       THR   2  -0.763  -8.845   6.472
   10    HB   THR   2           HB       THR   2   1.780  -8.866   4.828
   11    HG1  THR   2           1HG      THR   2   2.537 -10.091   6.369
   12   HG21  THR   2          3HG2      THR   2   0.668  -6.933   6.731
   13   HG22  THR   2          1HG2      THR   2   1.998  -6.750   5.589
   14   HG23  THR   2          2HG2      THR   2   2.283  -7.492   7.162
   15    H    CYS   3           H        CYS   3  -2.149  -7.301   6.004
   16    HA   CYS   3           HA       CYS   3  -2.195  -6.035   3.387
   17    HB2  CYS   3           2HB      CYS   3  -3.896  -5.594   5.853
   18    HB3  CYS   3           1HB      CYS   3  -4.159  -4.849   4.280
   19    H    TYR   4           H        TYR   4  -1.462  -4.028   2.919
   20    HA   TYR   4           HA       TYR   4  -0.954  -2.057   4.961
   21    HB2  TYR   4           2HB      TYR   4   1.462  -1.868   4.565
   22    HB3  TYR   4           1HB      TYR   4   1.058  -3.462   5.202
   23    HD1  TYR   4           1HD      TYR   4   2.043  -1.570   2.189
   24    HD2  TYR   4           2HD      TYR   4   1.244  -5.454   3.840
   25    HE1  TYR   4           1HE      TYR   4   3.067  -2.628   0.193
   26    HE2  TYR   4           2HE      TYR   4   2.268  -6.513   1.845
   27    HH   TYR   4           HH       TYR   4   3.967  -5.852   0.083
   28    H    CYS   5           H        CYS   5  -0.395   0.015   4.070
   29    HA   CYS   5           HA       CYS   5  -1.333   0.309   1.321
   30    HB2  CYS   5           2HB      CYS   5  -0.525   2.562   3.139
   31    HB3  CYS   5           1HB      CYS   5  -1.695   2.552   1.838
   32    H    ARG   6           H        ARG   6  -0.113   1.111  -0.347
   33    HA   ARG   6           HA       ARG   6   2.680   1.862   0.194
   34    HB2  ARG   6           2HB      ARG   6   3.484   0.420  -1.610
   35    HB3  ARG   6           1HB      ARG   6   2.659  -0.547  -0.389
   36    HG2  ARG   6           2HG      ARG   6   0.908  -1.053  -1.764
   37    HG3  ARG   6           1HG      ARG   6   0.982   0.489  -2.617
   38    HD2  ARG   6           2HD      ARG   6   1.690  -1.528  -3.972
   39    HD3  ARG   6           1HD      ARG   6   2.857  -0.212  -3.915
   40    HE   ARG   6           HE       ARG   6   3.140  -2.424  -1.993
   41   HH11  ARG   6          1HH2      ARG   6   4.195  -0.691  -4.800
   42   HH12  ARG   6          2HH2      ARG   6   5.765  -1.419  -4.826
   43   HH21  ARG   6          1HH1      ARG   6   5.196  -3.383  -2.026
   44   HH22  ARG   6          2HH1      ARG   6   6.332  -2.943  -3.258
   45    H    THR   7           H        THR   7   3.662   3.101  -1.507
   46    HA   THR   7           HA       THR   7   1.767   4.810  -2.869
   47    HB   THR   7           HB       THR   7   4.768   4.849  -3.183
   48    HG1  THR   7           1HG      THR   7   4.123   4.828  -0.957
   49   HG21  THR   7          3HG2      THR   7   3.042   7.268  -3.015
   50   HG22  THR   7          1HG2      THR   7   2.916   6.289  -4.476
   51   HG23  THR   7          2HG2      THR   7   4.472   6.972  -4.003
   52    H    GLY   8           H        GLY   8   0.911   2.932  -4.156
   53    HA2  GLY   8           2HA      GLY   8   0.961   2.915  -6.708
   54    HA3  GLY   8           1HA      GLY   8   2.609   2.336  -6.502
   55    H    ARG   9           H        ARG   9   1.451   0.605  -7.897
   56    HA   ARG   9           HA       ARG   9  -0.292  -1.238  -6.587
   57    HB2  ARG   9           2HB      ARG   9   1.184  -1.152  -9.156
   58    HB3  ARG   9           1HB      ARG   9   0.723  -2.745  -8.553
   59    HG2  ARG   9           2HG      ARG   9  -1.626  -1.753  -8.205
   60    HG3  ARG   9           1HG      ARG   9  -1.076  -0.402  -9.196
   61    HD2  ARG   9           2HD      ARG   9  -0.515  -1.950 -11.013
   62    HD3  ARG   9           1HD      ARG   9  -1.018  -3.309 -10.012
   63    HE   ARG   9           HE       ARG   9  -3.265  -2.696 -10.358
   64   HH11  ARG   9          1HH2      ARG   9  -1.028  -0.416 -11.684
   65   HH12  ARG   9          2HH2      ARG   9  -2.221   0.426 -12.614
   66   HH21  ARG   9          1HH1      ARG   9  -4.840  -1.596 -11.574
   67   HH22  ARG   9          2HH1      ARG   9  -4.381  -0.240 -12.551
   68    H    CYS  10           H        CYS  10   0.230  -3.487  -6.119
   69    HA   CYS  10           HA       CYS  10   2.893  -3.692  -4.854
   70    HB2  CYS  10           2HB      CYS  10   0.202  -4.811  -4.210
   71    HB3  CYS  10           1HB      CYS  10   1.630  -5.708  -3.705
   72    H    ALA  11           H        ALA  11   2.930  -6.459  -4.492
   73    HA   ALA  11           HA       ALA  11   3.740  -7.304  -7.156
   74    HB1  ALA  11           1HB      ALA  11   5.188  -8.623  -6.058
   75    HB2  ALA  11           2HB      ALA  11   3.906  -9.331  -5.076
   76    HB3  ALA  11           3HB      ALA  11   4.661  -7.818  -4.580
   77    H    THR  12           H        THR  12   3.167  -9.524  -7.899
   78    HA   THR  12           HA       THR  12   0.383  -9.800  -8.187
   79    HB   THR  12           HB       THR  12   2.707 -11.629  -8.754
   80    HG1  THR  12           1HG      THR  12   1.528  -9.645  -9.998
   81   HG21  THR  12          3HG2      THR  12   1.056 -13.222  -8.324
   82   HG22  THR  12          1HG2      THR  12   0.864 -12.933 -10.053
   83   HG23  THR  12          2HG2      THR  12  -0.243 -12.178  -8.905
   84    H    ARG  13           H        ARG  13   2.702 -11.476  -6.101
   85    HA   ARG  13           HA       ARG  13   0.988 -13.403  -5.022
   86    HB2  ARG  13           2HB      ARG  13   3.281 -11.969  -3.655
   87    HB3  ARG  13           1HB      ARG  13   2.571 -13.504  -3.153
   88    HG2  ARG  13           2HG      ARG  13   3.856 -14.626  -4.621
   89    HG3  ARG  13           1HG      ARG  13   3.233 -13.645  -5.951
   90    HD2  ARG  13           2HD      ARG  13   5.620 -13.335  -5.871
   91    HD3  ARG  13           1HD      ARG  13   4.857 -11.853  -5.302
   92    HE   ARG  13           HE       ARG  13   5.469 -13.637  -3.138
   93   HH11  ARG  13          1HH2      ARG  13   6.768 -11.314  -5.349
   94   HH12  ARG  13          2HH2      ARG  13   8.067 -10.840  -4.304
   95   HH21  ARG  13          1HH1      ARG  13   7.169 -13.022  -1.763
   96   HH22  ARG  13          2HH1      ARG  13   8.294 -11.808  -2.274
   97    H    GLU  14           H        GLU  14   1.316  -9.989  -4.367
   98    HA   GLU  14           HA       GLU  14  -0.149 -10.018  -1.895
   99    HB2  GLU  14           2HB      GLU  14   0.024  -7.552  -3.557
  100    HB3  GLU  14           1HB      GLU  14   0.232  -7.766  -1.820
  101    HG2  GLU  14           2HG      GLU  14   2.318  -9.232  -2.719
  102    HG3  GLU  14           1HG      GLU  14   2.210  -8.028  -4.001
  103    H    SER  15           H        SER  15  -2.173  -8.610  -1.711
  104    HA   SER  15           HA       SER  15  -3.946  -8.946  -4.042
  105    HB2  SER  15           2HB      SER  15  -5.731  -9.630  -2.342
  106    HB3  SER  15           1HB      SER  15  -4.516 -10.809  -2.795
  107    HG   SER  15           HG       SER  15  -5.004  -9.651  -0.384
  108    H    LEU  16           H        LEU  16  -5.206  -7.260  -4.414
  109    HA   LEU  16           HA       LEU  16  -4.946  -4.912  -2.744
  110    HB2  LEU  16           2HB      LEU  16  -5.537  -5.383  -5.446
  111    HB3  LEU  16           1HB      LEU  16  -7.008  -4.687  -4.765
  112    HG   LEU  16           HG       LEU  16  -5.486  -2.918  -5.579
  113   HD11  LEU  16          1HD1      LEU  16  -5.072  -2.029  -3.004
  114   HD12  LEU  16          2HD1      LEU  16  -6.362  -3.212  -2.786
  115   HD13  LEU  16          3HD1      LEU  16  -6.583  -1.861  -3.898
  116   HD21  LEU  16          3HD2      LEU  16  -3.504  -4.596  -4.518
  117   HD22  LEU  16          1HD2      LEU  16  -3.504  -3.185  -3.461
  118   HD23  LEU  16          2HD2      LEU  16  -3.260  -2.986  -5.196
  119    H    SER  17           H        SER  17  -6.220  -4.345  -1.116
  120    HA   SER  17           HA       SER  17  -8.808  -5.728  -0.814
  121    HB2  SER  17           2HB      SER  17  -8.613  -5.354   1.534
  122    HB3  SER  17           1HB      SER  17  -7.035  -5.916   0.993
  123    HG   SER  17           HG       SER  17  -7.875  -3.365   1.786
  124    H    GLY  18           H        GLY  18  -7.322  -2.645  -1.286
  125    HA2  GLY  18           2HA      GLY  18  -9.575  -1.270  -2.071
  126    HA3  GLY  18           1HA      GLY  18  -9.488  -1.031  -0.327
  127    H    VAL  19           H        VAL  19  -9.307   1.243  -1.524
  128    HA   VAL  19           HA       VAL  19  -6.502   1.856  -2.163
  129    HB   VAL  19           HB       VAL  19  -8.210   2.741  -3.687
  130   HG11  VAL  19          1HG1      VAL  19 -10.114   3.801  -2.999
  131   HG12  VAL  19          2HG1      VAL  19  -9.294   4.631  -1.676
  132   HG13  VAL  19          3HG1      VAL  19  -9.799   2.953  -1.485
  133   HG21  VAL  19          3HG2      VAL  19  -7.244   4.829  -3.878
  134   HG22  VAL  19          1HG2      VAL  19  -6.115   4.111  -2.728
  135   HG23  VAL  19          2HG2      VAL  19  -7.401   5.173  -2.155
  136    H    CYS  20           H        CYS  20  -5.228   2.449  -0.547
  137    HA   CYS  20           HA       CYS  20  -6.213   3.259   2.025
  138    HB2  CYS  20           2HB      CYS  20  -3.547   2.853   0.758
  139    HB3  CYS  20           1HB      CYS  20  -3.639   3.799   2.243
  140    H    GLU  21           H        GLU  21  -5.069   5.262   3.045
  141    HA   GLU  21           HA       GLU  21  -4.974   7.528   1.178
  142    HB2  GLU  21           2HB      GLU  21  -6.795   7.328   3.588
  143    HB3  GLU  21           1HB      GLU  21  -6.417   8.846   2.772
  144    HG2  GLU  21           2HG      GLU  21  -7.317   7.973   0.669
  145    HG3  GLU  21           1HG      GLU  21  -7.638   6.417   1.432
  146    H    ILE  22           H        ILE  22  -2.927   8.188   1.508
  147    HA   ILE  22           HA       ILE  22  -2.106   8.708   4.301
  148    HB   ILE  22           HB       ILE  22  -0.398   7.582   2.074
  149   HG12  ILE  22          2HG1      ILE  22  -1.032   6.328   4.751
  150   HG13  ILE  22          1HG1      ILE  22  -2.064   6.061   3.345
  151   HG21  ILE  22          1HG2      ILE  22   1.264   7.412   4.032
  152   HG22  ILE  22          2HG2      ILE  22   0.215   8.558   4.867
  153   HG23  ILE  22          3HG2      ILE  22   1.000   9.019   3.356
  154   HD11  ILE  22          3HD1      ILE  22  -0.598   4.623   2.431
  155   HD12  ILE  22          1HD1      ILE  22   0.238   4.630   3.984
  156   HD13  ILE  22          2HD1      ILE  22   0.755   5.723   2.699
  157    H    SER  23           H        SER  23  -1.187  10.660   4.674
  158    HA   SER  23           HA       SER  23  -0.665  12.872   4.294
  159    HB2  SER  23           2HB      SER  23   0.821  13.075   2.099
  160    HB3  SER  23           1HB      SER  23   1.442  12.322   3.564
  161    HG   SER  23           HG       SER  23   1.726  10.657   2.310
  162    H    GLY  24           H        GLY  24  -3.214  12.056   3.338
  163    HA2  GLY  24           2HA      GLY  24  -4.949  13.055   2.181
  164    HA3  GLY  24           1HA      GLY  24  -3.798  14.245   1.580
  165    H    ARG  25           H        ARG  25  -2.179  11.695   0.755
  166    HA   ARG  25           HA       ARG  25  -3.351  11.558  -1.918
  167    HB2  ARG  25           2HB      ARG  25  -0.962  12.048  -1.762
  168    HB3  ARG  25           1HB      ARG  25  -0.703  10.559  -0.860
  169    HG2  ARG  25           2HG      ARG  25  -1.366   9.208  -2.749
  170    HG3  ARG  25           1HG      ARG  25  -1.894  10.635  -3.644
  171    HD2  ARG  25           2HD      ARG  25   0.303   9.935  -4.448
  172    HD3  ARG  25           1HD      ARG  25   0.442  11.483  -3.622
  173    HE   ARG  25           HE       ARG  25   0.913   9.311  -1.823
  174   HH11  ARG  25          1HH2      ARG  25   2.279  11.171  -4.404
  175   HH12  ARG  25          2HH2      ARG  25   3.918  10.915  -3.905
  176   HH21  ARG  25          1HH1      ARG  25   3.060   8.974  -1.162
  177   HH22  ARG  25          2HH1      ARG  25   4.360   9.672  -2.070
  178    H    LEU  26           H        LEU  26  -4.146   9.735  -2.842
  179    HA   LEU  26           HA       LEU  26  -5.050   7.652  -1.109
  180    HB2  LEU  26           2HB      LEU  26  -5.201   8.175  -4.057
  181    HB3  LEU  26           1HB      LEU  26  -5.663   6.597  -3.421
  182    HG   LEU  26           HG       LEU  26  -7.137   7.888  -1.755
  183   HD11  LEU  26          1HD1      LEU  26  -7.868  10.129  -2.873
  184   HD12  LEU  26          2HD1      LEU  26  -6.292  10.059  -3.661
  185   HD13  LEU  26          3HD1      LEU  26  -6.396  10.110  -1.902
  186   HD21  LEU  26          3HD2      LEU  26  -8.306   6.720  -3.418
  187   HD22  LEU  26          1HD2      LEU  26  -7.601   7.674  -4.722
  188   HD23  LEU  26          2HD2      LEU  26  -8.841   8.378  -3.685
  189    H    TYR  27           H        TYR  27  -4.284   5.644  -0.779
  190    HA   TYR  27           HA       TYR  27  -1.807   4.857  -2.192
  191    HB2  TYR  27           2HB      TYR  27  -2.508   4.781   0.691
  192    HB3  TYR  27           1HB      TYR  27  -1.511   3.492   0.020
  193    HD1  TYR  27           2HD      TYR  27  -1.766   7.208  -0.439
  194    HD2  TYR  27           1HD      TYR  27   0.761   3.815   0.273
  195    HE1  TYR  27           2HE      TYR  27   0.218   8.684  -0.400
  196    HE2  TYR  27           1HE      TYR  27   2.747   5.296   0.309
  197    HH   TYR  27           HH       TYR  27   3.488   7.388  -0.244
  198    H    ARG  28           H        ARG  28  -1.450   2.512  -2.318
  199    HA   ARG  28           HA       ARG  28  -4.012   1.132  -2.796
  200    HB2  ARG  28           2HB      ARG  28  -1.182   0.634  -3.759
  201    HB3  ARG  28           1HB      ARG  28  -2.496  -0.514  -4.024
  202    HG2  ARG  28           2HG      ARG  28  -2.598   0.754  -5.975
  203    HG3  ARG  28           1HG      ARG  28  -3.765   1.592  -4.953
  204    HD2  ARG  28           2HD      ARG  28  -1.902   3.140  -4.239
  205    HD3  ARG  28           1HD      ARG  28  -0.882   2.376  -5.455
  206    HE   ARG  28           HE       ARG  28  -3.144   3.151  -6.818
  207   HH11  ARG  28          1HH2      ARG  28  -0.778   4.657  -4.791
  208   HH12  ARG  28          2HH2      ARG  28  -0.888   6.198  -5.573
  209   HH21  ARG  28          1HH1      ARG  28  -3.301   5.172  -7.842
  210   HH22  ARG  28          2HH1      ARG  28  -2.317   6.490  -7.300
  211    H    LEU  29           H        LEU  29  -4.664  -0.489  -1.524
  212    HA   LEU  29           HA       LEU  29  -2.843  -1.401   0.596
  213    HB2  LEU  29           2HB      LEU  29  -4.989  -0.518   1.342
  214    HB3  LEU  29           1HB      LEU  29  -5.844  -1.658   0.303
  215    HG   LEU  29           HG       LEU  29  -4.952  -3.550   1.567
  216   HD11  LEU  29          1HD1      LEU  29  -3.286  -1.372   2.784
  217   HD12  LEU  29          2HD1      LEU  29  -2.812  -2.997   2.289
  218   HD13  LEU  29          3HD1      LEU  29  -3.715  -2.756   3.785
  219   HD21  LEU  29          3HD2      LEU  29  -5.777  -1.665   3.746
  220   HD22  LEU  29          1HD2      LEU  29  -6.343  -3.300   3.405
  221   HD23  LEU  29          2HD2      LEU  29  -6.911  -1.950   2.425
  222    H    CYS  30           H        CYS  30  -1.681  -3.134  -0.009
  223    HA   CYS  30           HA       CYS  30  -3.112  -5.289  -1.418
  224    HB2  CYS  30           2HB      CYS  30  -0.922  -6.032  -2.224
  225    HB3  CYS  30           1HB      CYS  30  -1.265  -4.382  -2.715
  226    H    CYS  31           H        CYS  31  -2.887  -7.466  -0.647
  227    HA   CYS  31           HA       CYS  31  -1.651  -7.652   2.026
  228    HB2  CYS  31           2HB      CYS  31  -4.102  -9.113   1.055
  229    HB3  CYS  31           1HB      CYS  31  -3.425  -9.155   2.672
  230    H    ARG  32           H        ARG  32  -0.354  -9.379   2.411
  231    HA   ARG  32           HA       ARG  32  -0.269 -11.566   0.456
  232    HB2  ARG  32           2HB      ARG  32   2.145 -11.382   0.197
  233    HB3  ARG  32           1HB      ARG  32   1.363  -9.885  -0.316
  234    HG2  ARG  32           2HG      ARG  32   1.745  -9.158   2.178
  235    HG3  ARG  32           1HG      ARG  32   2.974 -10.424   2.158
  236    HD2  ARG  32           2HD      ARG  32   3.963  -9.381   0.127
  237    HD3  ARG  32           1HD      ARG  32   2.781  -8.079   0.258
  238    HE   ARG  32           HE       ARG  32   4.127  -8.292   2.723
  239   HH11  ARG  32          1HH2      ARG  32   4.721  -7.467  -0.584
  240   HH12  ARG  32          2HH2      ARG  32   6.002  -6.359  -0.222
  241   HH21  ARG  32          1HH1      ARG  32   5.808  -6.843   3.207
  242   HH22  ARG  32          2HH1      ARG  32   6.618  -6.004   1.923
  Start of MODEL   10
    1    H1   ALA   1           1HT      ALA   1  -1.694 -13.790   6.051
    2    H2   ALA   1           2HT      ALA   1  -2.600 -14.228   4.683
    3    H3   ALA   1           3HT      ALA   1  -3.138 -12.974   5.694
    4    HA   ALA   1           HA       ALA   1  -0.592 -12.878   4.178
    5    HB1  ALA   1           2HB      ALA   1  -3.377 -12.386   3.355
    6    HB2  ALA   1           3HB      ALA   1  -1.941 -12.646   2.366
    7    HB3  ALA   1           1HB      ALA   1  -2.283 -11.045   3.021
    8    H    THR   2           H        THR   2  -0.182 -10.400   3.824
    9    HA   THR   2           HA       THR   2  -0.724  -9.008   6.375
   10    HB   THR   2           HB       THR   2   1.771  -8.915   4.656
   11    HG1  THR   2           1HG      THR   2   1.273 -10.744   6.160
   12   HG21  THR   2          3HG2      THR   2   1.952  -6.842   5.556
   13   HG22  THR   2          1HG2      THR   2   2.346  -7.695   7.048
   14   HG23  THR   2          2HG2      THR   2   0.694  -7.154   6.751
   15    H    CYS   3           H        CYS   3  -2.179  -7.483   5.962
   16    HA   CYS   3           HA       CYS   3  -2.285  -6.154   3.384
   17    HB2  CYS   3           2HB      CYS   3  -3.955  -5.843   5.891
   18    HB3  CYS   3           1HB      CYS   3  -4.248  -4.991   4.382
   19    H    TYR   4           H        TYR   4  -1.599  -4.130   2.938
   20    HA   TYR   4           HA       TYR   4  -1.107  -2.160   4.963
   21    HB2  TYR   4           2HB      TYR   4   1.307  -1.979   4.689
   22    HB3  TYR   4           1HB      TYR   4   0.891  -3.596   5.257
   23    HD1  TYR   4           1HD      TYR   4   1.996  -1.602   2.354
   24    HD2  TYR   4           2HD      TYR   4   1.132  -5.543   3.827
   25    HE1  TYR   4           1HE      TYR   4   3.105  -2.588   0.366
   26    HE2  TYR   4           2HE      TYR   4   2.238  -6.528   1.840
   27    HH   TYR   4           HH       TYR   4   4.024  -4.548  -0.439
   28    H    CYS   5           H        CYS   5  -0.576  -0.103   4.076
   29    HA   CYS   5           HA       CYS   5  -1.395   0.153   1.284
   30    HB2  CYS   5           2HB      CYS   5  -0.709   2.475   3.053
   31    HB3  CYS   5           1HB      CYS   5  -1.884   2.360   1.783
   32    H    ARG   6           H        ARG   6  -0.161   1.115  -0.318
   33    HA   ARG   6           HA       ARG   6   2.589   1.904   0.326
   34    HB2  ARG   6           2HB      ARG   6   3.542   0.488  -1.402
   35    HB3  ARG   6           1HB      ARG   6   2.644  -0.521  -0.266
   36    HG2  ARG   6           2HG      ARG   6   0.976  -0.993  -1.773
   37    HG3  ARG   6           1HG      ARG   6   1.156   0.533  -2.628
   38    HD2  ARG   6           2HD      ARG   6   1.948  -1.436  -3.950
   39    HD3  ARG   6           1HD      ARG   6   3.189  -0.215  -3.693
   40    HE   ARG   6           HE       ARG   6   3.238  -2.239  -1.657
   41   HH11  ARG   6          1HH2      ARG   6   4.131  -1.452  -4.907
   42   HH12  ARG   6          2HH2      ARG   6   5.476  -2.543  -4.948
   43   HH21  ARG   6          1HH1      ARG   6   4.999  -3.672  -1.704
   44   HH22  ARG   6          2HH1      ARG   6   5.967  -3.799  -3.133
   45    H    THR   7           H        THR   7   3.589   3.182  -1.330
   46    HA   THR   7           HA       THR   7   1.683   4.809  -2.783
   47    HB   THR   7           HB       THR   7   4.691   4.996  -2.936
   48    HG1  THR   7           1HG      THR   7   4.065   4.955  -0.759
   49   HG21  THR   7          3HG2      THR   7   3.730   6.482  -4.473
   50   HG22  THR   7          1HG2      THR   7   3.928   7.487  -3.038
   51   HG23  THR   7          2HG2      THR   7   2.346   6.812  -3.430
   52    H    GLY   8           H        GLY   8   0.958   2.966  -4.148
   53    HA2  GLY   8           2HA      GLY   8   1.186   2.952  -6.691
   54    HA3  GLY   8           1HA      GLY   8   2.826   2.395  -6.367
   55    H    ARG   9           H        ARG   9   1.497   0.733  -7.901
   56    HA   ARG   9           HA       ARG   9  -0.211  -1.151  -6.686
   57    HB2  ARG   9           2HB      ARG   9   0.081  -0.891  -9.137
   58    HB3  ARG   9           1HB      ARG   9   1.693  -1.593  -8.988
   59    HG2  ARG   9           2HG      ARG   9   0.804  -3.674  -8.188
   60    HG3  ARG   9           1HG      ARG   9  -0.812  -2.989  -8.030
   61    HD2  ARG   9           2HD      ARG   9  -0.744  -4.289 -10.070
   62    HD3  ARG   9           1HD      ARG   9  -0.815  -2.583 -10.498
   63    HE   ARG   9           HE       ARG   9   1.891  -3.381 -10.360
   64   HH11  ARG   9          1HH2      ARG   9  -0.987  -3.850 -12.225
   65   HH12  ARG   9          2HH2      ARG   9  -0.143  -4.161 -13.705
   66   HH21  ARG   9          1HH1      ARG   9   3.005  -3.787 -12.297
   67   HH22  ARG   9          2HH1      ARG   9   2.117  -4.125 -13.746
   68    H    CYS  10           H        CYS  10   0.281  -3.365  -6.107
   69    HA   CYS  10           HA       CYS  10   2.895  -3.574  -4.764
   70    HB2  CYS  10           2HB      CYS  10   0.183  -4.721  -4.221
   71    HB3  CYS  10           1HB      CYS  10   1.614  -5.541  -3.606
   72    H    ALA  11           H        ALA  11   2.991  -6.297  -4.364
   73    HA   ALA  11           HA       ALA  11   3.873  -7.184  -6.980
   74    HB1  ALA  11           1HB      ALA  11   4.697  -7.665  -4.370
   75    HB2  ALA  11           2HB      ALA  11   5.271  -8.503  -5.813
   76    HB3  ALA  11           3HB      ALA  11   3.951  -9.186  -4.863
   77    H    THR  12           H        THR  12   3.323  -9.373  -7.769
   78    HA   THR  12           HA       THR  12   0.556  -9.674  -8.146
   79    HB   THR  12           HB       THR  12   2.789 -11.680  -8.533
   80    HG1  THR  12           1HG      THR  12   1.753  -9.549  -9.964
   81   HG21  THR  12          3HG2      THR  12   0.733 -12.216 -10.326
   82   HG22  THR  12          1HG2      THR  12  -0.110 -11.875  -8.815
   83   HG23  THR  12          2HG2      THR  12   1.109 -13.147  -8.876
   84    H    ARG  13           H        ARG  13   2.809 -11.351  -5.983
   85    HA   ARG  13           HA       ARG  13   1.047 -13.273  -4.961
   86    HB2  ARG  13           2HB      ARG  13   3.389 -11.873  -3.651
   87    HB3  ARG  13           1HB      ARG  13   2.569 -13.280  -2.973
   88    HG2  ARG  13           2HG      ARG  13   3.620 -13.348  -5.792
   89    HG3  ARG  13           1HG      ARG  13   4.695 -13.669  -4.430
   90    HD2  ARG  13           2HD      ARG  13   3.121 -15.431  -3.646
   91    HD3  ARG  13           1HD      ARG  13   2.125 -15.146  -5.066
   92    HE   ARG  13           HE       ARG  13   4.795 -16.373  -5.045
   93   HH11  ARG  13          1HH2      ARG  13   1.965 -15.299  -6.722
   94   HH12  ARG  13          2HH2      ARG  13   2.312 -16.193  -8.162
   95   HH21  ARG  13          1HH1      ARG  13   5.257 -17.548  -6.933
   96   HH22  ARG  13          2HH1      ARG  13   4.175 -17.465  -8.284
   97    H    GLU  14           H        GLU  14   1.396  -9.870  -4.265
   98    HA   GLU  14           HA       GLU  14  -0.144  -9.909  -1.841
   99    HB2  GLU  14           2HB      GLU  14   0.095  -7.434  -3.485
  100    HB3  GLU  14           1HB      GLU  14   0.252  -7.652  -1.740
  101    HG2  GLU  14           2HG      GLU  14   2.356  -9.109  -2.499
  102    HG3  GLU  14           1HG      GLU  14   2.285  -8.009  -3.875
  103    H    SER  15           H        SER  15  -2.211  -8.717  -1.624
  104    HA   SER  15           HA       SER  15  -3.895  -8.915  -4.043
  105    HB2  SER  15           2HB      SER  15  -5.728  -9.670  -2.383
  106    HB3  SER  15           1HB      SER  15  -4.518 -10.824  -2.883
  107    HG   SER  15           HG       SER  15  -4.951  -9.660  -0.433
  108    H    LEU  16           H        LEU  16  -5.219  -7.236  -4.372
  109    HA   LEU  16           HA       LEU  16  -4.977  -4.916  -2.668
  110    HB2  LEU  16           2HB      LEU  16  -5.613  -5.369  -5.362
  111    HB3  LEU  16           1HB      LEU  16  -7.083  -4.709  -4.646
  112    HG   LEU  16           HG       LEU  16  -5.627  -2.896  -5.455
  113   HD11  LEU  16          1HD1      LEU  16  -6.629  -1.851  -3.717
  114   HD12  LEU  16          2HD1      LEU  16  -5.128  -2.116  -2.832
  115   HD13  LEU  16          3HD1      LEU  16  -6.458  -3.261  -2.674
  116   HD21  LEU  16          3HD2      LEU  16  -3.389  -3.017  -5.216
  117   HD22  LEU  16          1HD2      LEU  16  -3.587  -4.569  -4.403
  118   HD23  LEU  16          2HD2      LEU  16  -3.551  -3.078  -3.461
  119    H    SER  17           H        SER  17  -6.222  -4.438  -0.985
  120    HA   SER  17           HA       SER  17  -8.763  -5.895  -0.656
  121    HB2  SER  17           2HB      SER  17  -8.524  -5.576   1.683
  122    HB3  SER  17           1HB      SER  17  -6.911  -5.986   1.114
  123    HG   SER  17           HG       SER  17  -7.883  -3.338   1.423
  124    H    GLY  18           H        GLY  18  -7.357  -2.715  -0.949
  125    HA2  GLY  18           2HA      GLY  18  -9.724  -1.444  -1.724
  126    HA3  GLY  18           1HA      GLY  18  -9.535  -1.183   0.008
  127    H    VAL  19           H        VAL  19  -9.505   1.079  -1.218
  128    HA   VAL  19           HA       VAL  19  -6.766   1.772  -2.038
  129    HB   VAL  19           HB       VAL  19  -8.396   2.667  -3.521
  130   HG11  VAL  19          1HG1      VAL  19 -10.131   4.307  -2.211
  131   HG12  VAL  19          2HG1      VAL  19  -9.922   3.034  -1.008
  132   HG13  VAL  19          3HG1      VAL  19 -10.497   2.632  -2.626
  133   HG21  VAL  19          3HG2      VAL  19  -6.667   4.287  -2.140
  134   HG22  VAL  19          1HG2      VAL  19  -8.203   5.115  -1.879
  135   HG23  VAL  19          2HG2      VAL  19  -7.632   4.814  -3.521
  136    H    CYS  20           H        CYS  20  -5.403   2.457  -0.530
  137    HA   CYS  20           HA       CYS  20  -6.324   3.332   2.069
  138    HB2  CYS  20           2HB      CYS  20  -3.701   2.723   0.801
  139    HB3  CYS  20           1HB      CYS  20  -3.704   3.762   2.228
  140    H    GLU  21           H        GLU  21  -4.774   5.291   2.906
  141    HA   GLU  21           HA       GLU  21  -4.673   7.474   0.985
  142    HB2  GLU  21           2HB      GLU  21  -6.064   8.930   2.545
  143    HB3  GLU  21           1HB      GLU  21  -6.954   7.732   1.602
  144    HG2  GLU  21           2HG      GLU  21  -6.876   6.182   3.543
  145    HG3  GLU  21           1HG      GLU  21  -6.059   7.429   4.484
  146    H    ILE  22           H        ILE  22  -2.708   8.280   1.340
  147    HA   ILE  22           HA       ILE  22  -1.885   8.753   4.138
  148    HB   ILE  22           HB       ILE  22   0.107   7.982   2.023
  149   HG12  ILE  22          2HG1      ILE  22  -1.633   6.202   2.118
  150   HG13  ILE  22          1HG1      ILE  22  -0.081   5.647   2.742
  151   HG21  ILE  22          1HG2      ILE  22   0.210   8.760   4.742
  152   HG22  ILE  22          2HG2      ILE  22   1.538   8.158   3.753
  153   HG23  ILE  22          3HG2      ILE  22   0.574   7.036   4.710
  154   HD11  ILE  22          3HD1      ILE  22  -1.426   6.785   4.943
  155   HD12  ILE  22          1HD1      ILE  22  -1.125   5.074   4.648
  156   HD13  ILE  22          2HD1      ILE  22  -2.626   5.809   4.098
  157    H    SER  23           H        SER  23  -0.887  10.678   4.531
  158    HA   SER  23           HA       SER  23  -0.368  12.894   4.191
  159    HB2  SER  23           2HB      SER  23   0.984  13.185   1.934
  160    HB3  SER  23           1HB      SER  23   1.685  12.330   3.304
  161    HG   SER  23           HG       SER  23   0.727  11.371   0.874
  162    H    GLY  24           H        GLY  24  -2.913  11.750   3.024
  163    HA2  GLY  24           2HA      GLY  24  -4.737  12.950   2.143
  164    HA3  GLY  24           1HA      GLY  24  -3.612  14.116   1.455
  165    H    ARG  25           H        ARG  25  -1.964  11.816   0.394
  166    HA   ARG  25           HA       ARG  25  -3.324  11.597  -2.146
  167    HB2  ARG  25           2HB      ARG  25  -0.951  11.965  -2.211
  168    HB3  ARG  25           1HB      ARG  25  -0.659  10.577  -1.164
  169    HG2  ARG  25           2HG      ARG  25  -1.464   9.048  -2.862
  170    HG3  ARG  25           1HG      ARG  25  -1.961  10.390  -3.895
  171    HD2  ARG  25           2HD      ARG  25   0.168   9.555  -4.701
  172    HD3  ARG  25           1HD      ARG  25   0.429  11.136  -3.971
  173    HE   ARG  25           HE       ARG  25   0.871   8.769  -2.291
  174   HH11  ARG  25          1HH2      ARG  25   2.089  11.412  -4.165
  175   HH12  ARG  25          2HH2      ARG  25   3.675  11.351  -3.473
  176   HH21  ARG  25          1HH1      ARG  25   2.950   8.682  -1.383
  177   HH22  ARG  25          2HH1      ARG  25   4.164   9.805  -1.899
  178    H    LEU  26           H        LEU  26  -4.190   9.783  -3.065
  179    HA   LEU  26           HA       LEU  26  -5.190   7.772  -1.321
  180    HB2  LEU  26           2HB      LEU  26  -6.409   7.035  -3.135
  181    HB3  LEU  26           1HB      LEU  26  -6.061   8.683  -3.656
  182    HG   LEU  26           HG       LEU  26  -3.921   7.670  -4.716
  183   HD11  LEU  26          1HD1      LEU  26  -3.625   5.444  -4.519
  184   HD12  LEU  26          2HD1      LEU  26  -5.179   5.160  -5.297
  185   HD13  LEU  26          3HD1      LEU  26  -5.092   5.341  -3.547
  186   HD21  LEU  26          3HD2      LEU  26  -5.510   6.693  -6.628
  187   HD22  LEU  26          1HD2      LEU  26  -5.405   8.423  -6.307
  188   HD23  LEU  26          2HD2      LEU  26  -6.747   7.485  -5.652
  189    H    TYR  27           H        TYR  27  -4.435   5.799  -0.826
  190    HA   TYR  27           HA       TYR  27  -1.973   4.877  -2.177
  191    HB2  TYR  27           2HB      TYR  27  -2.730   4.970   0.682
  192    HB3  TYR  27           1HB      TYR  27  -1.787   3.598   0.120
  193    HD1  TYR  27           1HD      TYR  27  -1.828   7.261  -0.667
  194    HD2  TYR  27           2HD      TYR  27   0.487   3.844   0.510
  195    HE1  TYR  27           1HE      TYR  27   0.226   8.651  -0.669
  196    HE2  TYR  27           2HE      TYR  27   2.541   5.233   0.508
  197    HH   TYR  27           HH       TYR  27   2.986   7.852   0.817
  198    H    ARG  28           H        ARG  28  -1.675   2.545  -2.272
  199    HA   ARG  28           HA       ARG  28  -4.271   1.175  -2.636
  200    HB2  ARG  28           2HB      ARG  28  -1.521   0.415  -3.673
  201    HB3  ARG  28           1HB      ARG  28  -3.050  -0.363  -4.087
  202    HG2  ARG  28           2HG      ARG  28  -3.648   1.288  -5.529
  203    HG3  ARG  28           1HG      ARG  28  -3.021   2.562  -4.482
  204    HD2  ARG  28           2HD      ARG  28  -0.734   2.040  -5.185
  205    HD3  ARG  28           1HD      ARG  28  -1.324   0.722  -6.194
  206    HE   ARG  28           HE       ARG  28  -1.551   3.584  -6.754
  207   HH11  ARG  28          1HH2      ARG  28  -2.424   0.318  -7.492
  208   HH12  ARG  28          2HH2      ARG  28  -2.937   0.674  -9.108
  209   HH21  ARG  28          1HH1      ARG  28  -2.220   4.059  -8.872
  210   HH22  ARG  28          2HH1      ARG  28  -2.821   2.791  -9.889
  211    H    LEU  29           H        LEU  29  -4.825  -0.508  -1.386
  212    HA   LEU  29           HA       LEU  29  -2.900  -1.393   0.653
  213    HB2  LEU  29           2HB      LEU  29  -5.013  -0.560   1.526
  214    HB3  LEU  29           1HB      LEU  29  -5.912  -1.671   0.496
  215    HG   LEU  29           HG       LEU  29  -4.955  -3.597   1.654
  216   HD11  LEU  29          1HD1      LEU  29  -3.227  -1.455   2.844
  217   HD12  LEU  29          2HD1      LEU  29  -2.800  -3.083   2.317
  218   HD13  LEU  29          3HD1      LEU  29  -3.632  -2.847   3.852
  219   HD21  LEU  29          3HD2      LEU  29  -5.678  -1.828   3.954
  220   HD22  LEU  29          1HD2      LEU  29  -6.296  -3.423   3.523
  221   HD23  LEU  29          2HD2      LEU  29  -6.865  -1.994   2.660
  222    H    CYS  30           H        CYS  30  -1.755  -3.107   0.008
  223    HA   CYS  30           HA       CYS  30  -3.167  -5.265  -1.415
  224    HB2  CYS  30           2HB      CYS  30  -0.934  -5.976  -2.190
  225    HB3  CYS  30           1HB      CYS  30  -1.339  -4.360  -2.720
  226    H    CYS  31           H        CYS  31  -2.924  -7.433  -0.701
  227    HA   CYS  31           HA       CYS  31  -1.679  -7.710   1.960
  228    HB2  CYS  31           2HB      CYS  31  -4.132  -9.153   0.974
  229    HB3  CYS  31           1HB      CYS  31  -3.447  -9.215   2.579
  230    H    ARG  32           H        ARG  32  -0.285  -9.356   2.210
  231    HA   ARG  32           HA       ARG  32  -0.213 -11.466   0.148
  232    HB2  ARG  32           2HB      ARG  32   2.226 -11.318   0.051
  233    HB3  ARG  32           1HB      ARG  32   1.488  -9.787  -0.425
  234    HG2  ARG  32           2HG      ARG  32   1.720  -9.278   2.180
  235    HG3  ARG  32           1HG      ARG  32   3.017 -10.466   2.051
  236    HD2  ARG  32           2HD      ARG  32   2.748  -8.074   0.224
  237    HD3  ARG  32           1HD      ARG  32   3.751  -8.084   1.675
  238    HE   ARG  32           HE       ARG  32   4.373  -9.340  -0.840
  239   HH11  ARG  32          1HH2      ARG  32   4.783  -9.432   2.595
  240   HH12  ARG  32          2HH2      ARG  32   6.291 -10.280   2.532
  241   HH21  ARG  32          1HH1      ARG  32   6.351 -10.454  -0.931
  242   HH22  ARG  32          2HH1      ARG  32   7.179 -10.859   0.535
  Start of MODEL   11
    1    H1   ALA   1           1HT      ALA   1  -3.352 -12.836   5.522
    2    H2   ALA   1           2HT      ALA   1  -2.009 -13.403   6.394
    3    H3   ALA   1           3HT      ALA   1  -2.504 -14.200   4.978
    4    HA   ALA   1           HA       ALA   1  -0.593 -12.913   4.441
    5    HB1  ALA   1           2HB      ALA   1  -2.138 -10.992   3.136
    6    HB2  ALA   1           3HB      ALA   1  -3.242 -12.348   3.359
    7    HB3  ALA   1           1HB      ALA   1  -1.716 -12.586   2.509
    8    H    THR   2           H        THR   2  -0.118 -10.410   3.918
    9    HA   THR   2           HA       THR   2  -0.555  -8.937   6.445
   10    HB   THR   2           HB       THR   2   1.862  -8.995   4.624
   11    HG1  THR   2           1HG      THR   2   1.378 -10.640   6.349
   12   HG21  THR   2          3HG2      THR   2   2.071  -6.830   5.286
   13   HG22  THR   2          1HG2      THR   2   2.601  -7.543   6.809
   14   HG23  THR   2          2HG2      THR   2   0.928  -7.022   6.615
   15    H    CYS   3           H        CYS   3  -2.017  -7.453   6.045
   16    HA   CYS   3           HA       CYS   3  -2.217  -6.130   3.465
   17    HB2  CYS   3           2HB      CYS   3  -3.808  -5.842   6.025
   18    HB3  CYS   3           1HB      CYS   3  -4.154  -4.983   4.531
   19    H    TYR   4           H        TYR   4  -1.565  -4.086   3.018
   20    HA   TYR   4           HA       TYR   4  -1.065  -2.122   5.052
   21    HB2  TYR   4           2HB      TYR   4   1.344  -1.890   4.689
   22    HB3  TYR   4           1HB      TYR   4   0.966  -3.502   5.298
   23    HD1  TYR   4           2HD      TYR   4   1.104  -5.469   3.849
   24    HD2  TYR   4           1HD      TYR   4   2.041  -1.545   2.375
   25    HE1  TYR   4           2HE      TYR   4   2.166  -6.475   1.846
   26    HE2  TYR   4           1HE      TYR   4   3.104  -2.551   0.372
   27    HH   TYR   4           HH       TYR   4   3.739  -4.437  -0.618
   28    H    CYS   5           H        CYS   5  -0.546  -0.037   4.158
   29    HA   CYS   5           HA       CYS   5  -1.461   0.213   1.392
   30    HB2  CYS   5           2HB      CYS   5  -0.713   2.500   3.193
   31    HB3  CYS   5           1HB      CYS   5  -1.832   2.474   1.868
   32    H    ARG   6           H        ARG   6  -0.238   1.072  -0.264
   33    HA   ARG   6           HA       ARG   6   2.560   1.793   0.316
   34    HB2  ARG   6           2HB      ARG   6   3.373   0.427  -1.511
   35    HB3  ARG   6           1HB      ARG   6   2.460  -0.596  -0.404
   36    HG2  ARG   6           2HG      ARG   6   0.743  -0.919  -1.891
   37    HG3  ARG   6           1HG      ARG   6   0.946   0.654  -2.652
   38    HD2  ARG   6           2HD      ARG   6   2.981  -1.554  -2.936
   39    HD3  ARG   6           1HD      ARG   6   1.638  -1.347  -4.054
   40    HE   ARG   6           HE       ARG   6   2.677   1.078  -4.180
   41   HH11  ARG   6          1HH2      ARG   6   4.249  -1.996  -3.987
   42   HH12  ARG   6          2HH2      ARG   6   5.656  -1.487  -4.861
   43   HH21  ARG   6          1HH1      ARG   6   4.521   1.755  -5.326
   44   HH22  ARG   6          2HH1      ARG   6   5.810   0.636  -5.618
   45    H    THR   7           H        THR   7   3.585   3.035  -1.399
   46    HA   THR   7           HA       THR   7   1.684   4.825  -2.686
   47    HB   THR   7           HB       THR   7   4.708   4.884  -2.770
   48    HG1  THR   7           1HG      THR   7   4.232   5.128  -0.678
   49   HG21  THR   7          3HG2      THR   7   3.007   6.245  -4.348
   50   HG22  THR   7          1HG2      THR   7   4.517   6.942  -3.760
   51   HG23  THR   7          2HG2      THR   7   2.999   7.312  -2.942
   52    H    GLY   8           H        GLY   8   0.906   2.992  -4.091
   53    HA2  GLY   8           2HA      GLY   8   1.062   3.094  -6.644
   54    HA3  GLY   8           1HA      GLY   8   2.703   2.509  -6.389
   55    H    ARG   9           H        ARG   9   1.656   0.802  -7.893
   56    HA   ARG   9           HA       ARG   9  -0.187  -1.067  -6.801
   57    HB2  ARG   9           2HB      ARG   9   0.370  -0.672  -9.259
   58    HB3  ARG   9           1HB      ARG   9   1.831  -1.618  -8.973
   59    HG2  ARG   9           2HG      ARG   9   0.386  -3.298  -9.628
   60    HG3  ARG   9           1HG      ARG   9   0.113  -3.315  -7.890
   61    HD2  ARG   9           2HD      ARG   9  -1.859  -1.918  -8.130
   62    HD3  ARG   9           1HD      ARG   9  -1.553  -1.726  -9.853
   63    HE   ARG   9           HE       ARG   9  -2.392  -3.882 -10.207
   64   HH11  ARG   9          1HH2      ARG   9  -1.953  -3.197  -6.842
   65   HH12  ARG   9          2HH2      ARG   9  -2.828  -4.590  -6.303
   66   HH21  ARG   9          1HH1      ARG   9  -3.541  -5.710  -9.506
   67   HH22  ARG   9          2HH1      ARG   9  -3.726  -6.014  -7.811
   68    H    CYS  10           H        CYS  10   0.261  -3.257  -6.185
   69    HA   CYS  10           HA       CYS  10   2.842  -3.521  -4.782
   70    HB2  CYS  10           2HB      CYS  10   0.081  -4.566  -4.299
   71    HB3  CYS  10           1HB      CYS  10   1.458  -5.473  -3.681
   72    H    ALA  11           H        ALA  11   2.904  -6.235  -4.390
   73    HA   ALA  11           HA       ALA  11   3.798  -7.145  -6.988
   74    HB1  ALA  11           1HB      ALA  11   3.800  -9.203  -4.967
   75    HB2  ALA  11           2HB      ALA  11   4.467  -7.705  -4.317
   76    HB3  ALA  11           3HB      ALA  11   5.167  -8.426  -5.768
   77    H    THR  12           H        THR  12   3.177  -9.255  -7.864
   78    HA   THR  12           HA       THR  12   0.398  -9.474  -8.239
   79    HB   THR  12           HB       THR  12   2.722 -11.272  -8.868
   80    HG1  THR  12           1HG      THR  12   1.338  -9.289 -10.059
   81   HG21  THR  12          3HG2      THR  12   1.067 -12.889  -8.526
   82   HG22  THR  12          1HG2      THR  12   0.911 -12.528 -10.246
   83   HG23  THR  12          2HG2      THR  12  -0.223 -11.827  -9.092
   84    H    ARG  13           H        ARG  13   2.642 -11.297  -6.208
   85    HA   ARG  13           HA       ARG  13   0.873 -13.262  -5.284
   86    HB2  ARG  13           2HB      ARG  13   3.203 -11.952  -3.858
   87    HB3  ARG  13           1HB      ARG  13   2.427 -13.460  -3.370
   88    HG2  ARG  13           2HG      ARG  13   3.612 -14.630  -4.887
   89    HG3  ARG  13           1HG      ARG  13   3.092 -13.549  -6.185
   90    HD2  ARG  13           2HD      ARG  13   4.894 -12.080  -5.852
   91    HD3  ARG  13           1HD      ARG  13   5.242 -12.719  -4.247
   92    HE   ARG  13           HE       ARG  13   6.384 -14.518  -5.251
   93   HH11  ARG  13          1HH2      ARG  13   4.781 -12.485  -7.547
   94   HH12  ARG  13          2HH2      ARG  13   5.599 -13.156  -8.920
   95   HH21  ARG  13          1HH1      ARG  13   7.461 -15.402  -7.046
   96   HH22  ARG  13          2HH1      ARG  13   7.115 -14.807  -8.636
   97    H    GLU  14           H        GLU  14   1.265  -9.903  -4.396
   98    HA   GLU  14           HA       GLU  14  -0.210 -10.050  -1.944
   99    HB2  GLU  14           2HB      GLU  14  -0.052  -7.504  -3.484
  100    HB3  GLU  14           1HB      GLU  14   0.171  -7.796  -1.759
  101    HG2  GLU  14           2HG      GLU  14   2.275  -9.155  -2.563
  102    HG3  GLU  14           1HG      GLU  14   2.124  -8.132  -3.991
  103    H    SER  15           H        SER  15  -2.239  -8.736  -1.637
  104    HA   SER  15           HA       SER  15  -4.038  -8.973  -3.965
  105    HB2  SER  15           2HB      SER  15  -5.799  -9.671  -2.248
  106    HB3  SER  15           1HB      SER  15  -4.602 -10.853  -2.714
  107    HG   SER  15           HG       SER  15  -3.454  -9.700  -0.782
  108    H    LEU  16           H        LEU  16  -5.239  -7.264  -4.321
  109    HA   LEU  16           HA       LEU  16  -4.975  -4.949  -2.626
  110    HB2  LEU  16           2HB      LEU  16  -5.531  -5.367  -5.330
  111    HB3  LEU  16           1HB      LEU  16  -7.026  -4.710  -4.664
  112    HG   LEU  16           HG       LEU  16  -5.544  -2.893  -5.408
  113   HD11  LEU  16          1HD1      LEU  16  -6.579  -3.232  -2.737
  114   HD12  LEU  16          2HD1      LEU  16  -6.483  -1.761  -3.705
  115   HD13  LEU  16          3HD1      LEU  16  -5.124  -2.237  -2.686
  116   HD21  LEU  16          3HD2      LEU  16  -3.549  -3.211  -3.300
  117   HD22  LEU  16          1HD2      LEU  16  -3.317  -2.905  -5.021
  118   HD23  LEU  16          2HD2      LEU  16  -3.524  -4.557  -4.438
  119    H    SER  17           H        SER  17  -6.101  -4.770  -0.815
  120    HA   SER  17           HA       SER  17  -8.727  -6.033  -0.566
  121    HB2  SER  17           2HB      SER  17  -8.503  -5.685   1.762
  122    HB3  SER  17           1HB      SER  17  -6.888  -6.117   1.214
  123    HG   SER  17           HG       SER  17  -7.894  -3.703   2.139
  124    H    GLY  18           H        GLY  18  -7.328  -2.915  -1.088
  125    HA2  GLY  18           2HA      GLY  18  -9.653  -1.615  -1.823
  126    HA3  GLY  18           1HA      GLY  18  -9.489  -1.332  -0.093
  127    H    VAL  19           H        VAL  19  -9.421   0.911  -1.351
  128    HA   VAL  19           HA       VAL  19  -6.667   1.573  -2.129
  129    HB   VAL  19           HB       VAL  19  -8.694   2.324  -3.482
  130   HG11  VAL  19          1HG1      VAL  19 -10.010   2.920  -1.391
  131   HG12  VAL  19          2HG1      VAL  19 -10.003   4.160  -2.645
  132   HG13  VAL  19          3HG1      VAL  19  -8.966   4.332  -1.230
  133   HG21  VAL  19          3HG2      VAL  19  -6.631   4.235  -2.373
  134   HG22  VAL  19          1HG2      VAL  19  -7.774   4.737  -3.618
  135   HG23  VAL  19          2HG2      VAL  19  -6.641   3.425  -3.940
  136    H    CYS  20           H        CYS  20  -5.313   2.506  -0.754
  137    HA   CYS  20           HA       CYS  20  -6.262   3.370   1.874
  138    HB2  CYS  20           2HB      CYS  20  -3.635   2.642   0.668
  139    HB3  CYS  20           1HB      CYS  20  -3.641   3.707   2.073
  140    H    GLU  21           H        GLU  21  -5.189   5.367   2.792
  141    HA   GLU  21           HA       GLU  21  -4.691   7.464   0.797
  142    HB2  GLU  21           2HB      GLU  21  -7.114   7.552   1.319
  143    HB3  GLU  21           1HB      GLU  21  -6.722   7.738   3.030
  144    HG2  GLU  21           2HG      GLU  21  -5.483   9.808   2.527
  145    HG3  GLU  21           1HG      GLU  21  -5.867   9.624   0.817
  146    H    ILE  22           H        ILE  22  -2.733   8.193   1.350
  147    HA   ILE  22           HA       ILE  22  -2.198   8.699   4.216
  148    HB   ILE  22           HB       ILE  22  -0.272   7.606   2.154
  149   HG12  ILE  22          2HG1      ILE  22  -1.094   6.294   4.743
  150   HG13  ILE  22          1HG1      ILE  22  -2.079   6.092   3.295
  151   HG21  ILE  22          1HG2      ILE  22   1.195   8.762   3.478
  152   HG22  ILE  22          2HG2      ILE  22   0.976   7.380   4.552
  153   HG23  ILE  22          3HG2      ILE  22   0.059   8.862   4.822
  154   HD11  ILE  22          3HD1      ILE  22   0.679   5.699   2.601
  155   HD12  ILE  22          1HD1      ILE  22  -0.656   4.551   2.509
  156   HD13  ILE  22          2HD1      ILE  22   0.289   4.691   3.993
  157    H    SER  23           H        SER  23  -1.351  10.667   4.691
  158    HA   SER  23           HA       SER  23  -0.758  12.870   4.384
  159    HB2  SER  23           2HB      SER  23   0.864  13.085   2.279
  160    HB3  SER  23           1HB      SER  23   1.390  12.342   3.785
  161    HG   SER  23           HG       SER  23   0.794  10.318   2.878
  162    H    GLY  24           H        GLY  24  -3.234  12.034   3.217
  163    HA2  GLY  24           2HA      GLY  24  -4.887  13.065   1.970
  164    HA3  GLY  24           1HA      GLY  24  -3.701  14.267   1.472
  165    H    ARG  25           H        ARG  25  -2.062  11.666   0.753
  166    HA   ARG  25           HA       ARG  25  -2.898  11.678  -2.029
  167    HB2  ARG  25           2HB      ARG  25  -0.530  11.842  -1.636
  168    HB3  ARG  25           1HB      ARG  25  -0.555  10.408  -0.614
  169    HG2  ARG  25           2HG      ARG  25  -1.210   9.021  -2.526
  170    HG3  ARG  25           1HG      ARG  25  -1.278  10.448  -3.559
  171    HD2  ARG  25           2HD      ARG  25   1.117  10.835  -3.224
  172    HD3  ARG  25           1HD      ARG  25   1.207   9.463  -2.128
  173    HE   ARG  25           HE       ARG  25   1.039   8.014  -3.980
  174   HH11  ARG  25          1HH2      ARG  25   0.686  11.350  -4.829
  175   HH12  ARG  25          2HH2      ARG  25   0.871  11.079  -6.529
  176   HH21  ARG  25          1HH1      ARG  25   1.282   7.651  -6.205
  177   HH22  ARG  25          2HH1      ARG  25   1.208   8.984  -7.309
  178    H    LEU  26           H        LEU  26  -3.205   9.690  -3.233
  179    HA   LEU  26           HA       LEU  26  -4.839   7.814  -1.712
  180    HB2  LEU  26           2HB      LEU  26  -5.501   8.811  -3.966
  181    HB3  LEU  26           1HB      LEU  26  -4.274   7.766  -4.680
  182    HG   LEU  26           HG       LEU  26  -5.419   5.826  -3.469
  183   HD11  LEU  26          1HD1      LEU  26  -8.028   6.910  -3.391
  184   HD12  LEU  26          2HD1      LEU  26  -7.002   8.058  -2.531
  185   HD13  LEU  26          3HD1      LEU  26  -7.057   6.369  -2.022
  186   HD21  LEU  26          3HD2      LEU  26  -6.174   7.272  -5.879
  187   HD22  LEU  26          1HD2      LEU  26  -7.556   6.416  -5.195
  188   HD23  LEU  26          2HD2      LEU  26  -6.087   5.531  -5.608
  189    H    TYR  27           H        TYR  27  -4.136   5.921  -1.014
  190    HA   TYR  27           HA       TYR  27  -1.670   4.768  -2.170
  191    HB2  TYR  27           2HB      TYR  27  -2.647   4.993   0.627
  192    HB3  TYR  27           1HB      TYR  27  -1.719   3.571   0.160
  193    HD1  TYR  27           2HD      TYR  27  -1.595   7.283  -0.410
  194    HD2  TYR  27           1HD      TYR  27   0.565   3.671   0.442
  195    HE1  TYR  27           2HE      TYR  27   0.519   8.572  -0.275
  196    HE2  TYR  27           1HE      TYR  27   2.678   4.961   0.567
  197    HH   TYR  27           HH       TYR  27   3.151   7.823  -0.679
  198    H    ARG  28           H        ARG  28  -1.539   2.423  -2.156
  199    HA   ARG  28           HA       ARG  28  -4.195   1.195  -2.552
  200    HB2  ARG  28           2HB      ARG  28  -1.480   0.539  -3.709
  201    HB3  ARG  28           1HB      ARG  28  -2.876  -0.527  -3.870
  202    HG2  ARG  28           2HG      ARG  28  -4.143   1.281  -4.961
  203    HG3  ARG  28           1HG      ARG  28  -2.760   2.363  -4.788
  204    HD2  ARG  28           2HD      ARG  28  -1.399   0.843  -6.177
  205    HD3  ARG  28           1HD      ARG  28  -2.780  -0.234  -6.352
  206    HE   ARG  28           HE       ARG  28  -3.555   2.336  -7.197
  207   HH11  ARG  28          1HH2      ARG  28  -1.421  -0.248  -8.053
  208   HH12  ARG  28          2HH2      ARG  28  -1.457   0.100  -9.750
  209   HH21  ARG  28          1HH1      ARG  28  -3.607   2.800  -9.419
  210   HH22  ARG  28          2HH1      ARG  28  -2.695   1.826 -10.524
  211    H    LEU  29           H        LEU  29  -4.795  -0.555  -1.373
  212    HA   LEU  29           HA       LEU  29  -2.931  -1.434   0.732
  213    HB2  LEU  29           2HB      LEU  29  -5.103  -0.609   1.503
  214    HB3  LEU  29           1HB      LEU  29  -5.930  -1.773   0.473
  215    HG   LEU  29           HG       LEU  29  -4.958  -3.635   1.720
  216   HD11  LEU  29          1HD1      LEU  29  -3.767  -2.737   3.958
  217   HD12  LEU  29          2HD1      LEU  29  -3.328  -1.413   2.880
  218   HD13  LEU  29          3HD1      LEU  29  -2.855  -3.067   2.485
  219   HD21  LEU  29          3HD2      LEU  29  -6.329  -3.431   3.591
  220   HD22  LEU  29          1HD2      LEU  29  -6.979  -2.141   2.579
  221   HD23  LEU  29          2HD2      LEU  29  -5.857  -1.755   3.883
  222    H    CYS  30           H        CYS  30  -1.757  -3.149   0.091
  223    HA   CYS  30           HA       CYS  30  -3.163  -5.307  -1.349
  224    HB2  CYS  30           2HB      CYS  30  -0.912  -6.007  -2.131
  225    HB3  CYS  30           1HB      CYS  30  -1.369  -4.416  -2.689
  226    H    CYS  31           H        CYS  31  -2.917  -7.481  -0.616
  227    HA   CYS  31           HA       CYS  31  -1.616  -7.692   2.028
  228    HB2  CYS  31           2HB      CYS  31  -4.090  -9.153   1.125
  229    HB3  CYS  31           1HB      CYS  31  -3.361  -9.207   2.711
  230    H    ARG  32           H        ARG  32  -0.322  -9.439   2.375
  231    HA   ARG  32           HA       ARG  32  -0.294 -11.600   0.384
  232    HB2  ARG  32           2HB      ARG  32   2.106 -11.399   0.030
  233    HB3  ARG  32           1HB      ARG  32   1.308  -9.891  -0.413
  234    HG2  ARG  32           2HG      ARG  32   1.785  -9.210   2.065
  235    HG3  ARG  32           1HG      ARG  32   2.999 -10.491   1.990
  236    HD2  ARG  32           2HD      ARG  32   3.907  -9.434  -0.086
  237    HD3  ARG  32           1HD      ARG  32   2.774  -8.104   0.148
  238    HE   ARG  32           HE       ARG  32   4.379  -8.576   2.483
  239   HH11  ARG  32          1HH2      ARG  32   4.310  -7.132  -0.663
  240   HH12  ARG  32          2HH2      ARG  32   5.505  -5.936  -0.289
  241   HH21  ARG  32          1HH1      ARG  32   5.948  -7.011   2.976
  242   HH22  ARG  32          2HH1      ARG  32   6.432  -5.867   1.769
  Start of MODEL   12
    1    H1   ALA   1           1HT      ALA   1  -1.394 -14.122   5.878
    2    H2   ALA   1           2HT      ALA   1  -2.827 -13.935   4.984
    3    H3   ALA   1           3HT      ALA   1  -2.557 -12.988   6.368
    4    HA   ALA   1           HA       ALA   1  -0.481 -12.761   4.381
    5    HB1  ALA   1           2HB      ALA   1  -3.092 -11.407   3.748
    6    HB2  ALA   1           3HB      ALA   1  -2.774 -13.031   3.139
    7    HB3  ALA   1           1HB      ALA   1  -1.707 -11.698   2.693
    8    H    THR   2           H        THR   2  -0.154 -10.308   4.078
    9    HA   THR   2           HA       THR   2  -0.841  -8.893   6.578
   10    HB   THR   2           HB       THR   2   1.765  -8.868   5.035
   11    HG1  THR   2           1HG      THR   2   2.442  -9.470   7.265
   12   HG21  THR   2          3HG2      THR   2   0.552  -6.953   6.919
   13   HG22  THR   2          1HG2      THR   2   1.852  -6.717   5.751
   14   HG23  THR   2          2HG2      THR   2   2.198  -7.439   7.324
   15    H    CYS   3           H        CYS   3  -2.223  -7.355   6.091
   16    HA   CYS   3           HA       CYS   3  -2.243  -6.095   3.473
   17    HB2  CYS   3           2HB      CYS   3  -3.976  -5.661   5.917
   18    HB3  CYS   3           1HB      CYS   3  -4.225  -4.911   4.345
   19    H    TYR   4           H        TYR   4  -1.524  -4.089   2.995
   20    HA   TYR   4           HA       TYR   4  -1.039  -2.100   5.026
   21    HB2  TYR   4           2HB      TYR   4   1.379  -1.903   4.642
   22    HB3  TYR   4           1HB      TYR   4   0.974  -3.491   5.296
   23    HD1  TYR   4           1HD      TYR   4   1.975  -1.634   2.263
   24    HD2  TYR   4           2HD      TYR   4   1.179  -5.499   3.958
   25    HE1  TYR   4           1HE      TYR   4   3.012  -2.715   0.286
   26    HE2  TYR   4           2HE      TYR   4   2.215  -6.580   1.984
   27    HH   TYR   4           HH       TYR   4   3.935  -5.921   0.219
   28    H    CYS   5           H        CYS   5  -0.457  -0.030   4.122
   29    HA   CYS   5           HA       CYS   5  -1.386   0.247   1.369
   30    HB2  CYS   5           2HB      CYS   5  -0.565   2.512   3.170
   31    HB3  CYS   5           1HB      CYS   5  -1.720   2.502   1.861
   32    H    ARG   6           H        ARG   6  -0.158   1.052  -0.296
   33    HA   ARG   6           HA       ARG   6   2.666   1.689   0.254
   34    HB2  ARG   6           2HB      ARG   6   3.386   0.321  -1.633
   35    HB3  ARG   6           1HB      ARG   6   2.511  -0.681  -0.474
   36    HG2  ARG   6           2HG      ARG   6   0.756  -1.025  -1.882
   37    HG3  ARG   6           1HG      ARG   6   0.858   0.584  -2.592
   38    HD2  ARG   6           2HD      ARG   6   2.895  -1.580  -3.112
   39    HD3  ARG   6           1HD      ARG   6   1.485  -1.309  -4.128
   40    HE   ARG   6           HE       ARG   6   2.464   1.073  -4.316
   41   HH11  ARG   6          1HH2      ARG   6   4.280  -1.858  -3.933
   42   HH12  ARG   6          2HH2      ARG   6   5.687  -1.247  -4.733
   43   HH21  ARG   6          1HH1      ARG   6   4.315   1.870  -5.367
   44   HH22  ARG   6          2HH1      ARG   6   5.708   0.856  -5.543
   45    H    THR   7           H        THR   7   3.705   2.906  -1.464
   46    HA   THR   7           HA       THR   7   1.852   4.775  -2.710
   47    HB   THR   7           HB       THR   7   3.857   5.638  -1.593
   48    HG1  THR   7           1HG      THR   7   3.030   6.702  -3.459
   49   HG21  THR   7          3HG2      THR   7   5.760   4.449  -1.746
   50   HG22  THR   7          1HG2      THR   7   5.907   4.999  -3.415
   51   HG23  THR   7          2HG2      THR   7   5.096   3.474  -3.057
   52    H    GLY   8           H        GLY   8   0.987   3.037  -4.143
   53    HA2  GLY   8           2HA      GLY   8   1.123   3.166  -6.687
   54    HA3  GLY   8           1HA      GLY   8   2.742   2.512  -6.461
   55    H    ARG   9           H        ARG   9   1.915   0.774  -7.866
   56    HA   ARG   9           HA       ARG   9  -0.081  -1.033  -6.849
   57    HB2  ARG   9           2HB      ARG   9   0.085  -2.099  -8.858
   58    HB3  ARG   9           1HB      ARG   9   0.817  -0.566  -9.330
   59    HG2  ARG   9           2HG      ARG   9   2.341  -3.011  -8.376
   60    HG3  ARG   9           1HG      ARG   9   2.197  -2.486 -10.048
   61    HD2  ARG   9           2HD      ARG   9   3.222  -0.592  -7.956
   62    HD3  ARG   9           1HD      ARG   9   4.307  -1.755  -8.707
   63    HE   ARG   9           HE       ARG   9   3.081   0.563  -9.979
   64   HH11  ARG   9          1HH2      ARG   9   4.732  -2.459 -10.287
   65   HH12  ARG   9          2HH2      ARG   9   5.330  -2.129 -11.878
   66   HH21  ARG   9          1HH1      ARG   9   3.861   1.006 -12.067
   67   HH22  ARG   9          2HH1      ARG   9   4.837  -0.168 -12.887
   68    H    CYS  10           H        CYS  10   0.330  -3.259  -6.314
   69    HA   CYS  10           HA       CYS  10   2.872  -3.585  -4.851
   70    HB2  CYS  10           2HB      CYS  10   0.099  -4.641  -4.407
   71    HB3  CYS  10           1HB      CYS  10   1.489  -5.504  -3.748
   72    H    ALA  11           H        ALA  11   2.746  -6.355  -4.499
   73    HA   ALA  11           HA       ALA  11   3.662  -7.232  -7.125
   74    HB1  ALA  11           1HB      ALA  11   3.718  -9.270  -5.069
   75    HB2  ALA  11           2HB      ALA  11   4.434  -7.766  -4.485
   76    HB3  ALA  11           3HB      ALA  11   5.059  -8.532  -5.946
   77    H    THR  12           H        THR  12   3.015  -9.320  -7.993
   78    HA   THR  12           HA       THR  12   0.226  -9.574  -8.258
   79    HB   THR  12           HB       THR  12   2.420 -11.565  -8.877
   80    HG1  THR  12           1HG      THR  12   2.684 -10.392 -10.581
   81   HG21  THR  12          3HG2      THR  12   0.270 -11.986 -10.588
   82   HG22  THR  12          1HG2      THR  12  -0.490 -11.732  -9.016
   83   HG23  THR  12          2HG2      THR  12   0.717 -13.002  -9.217
   84    H    ARG  13           H        ARG  13   2.565 -11.373  -6.307
   85    HA   ARG  13           HA       ARG  13   0.852 -13.352  -5.315
   86    HB2  ARG  13           2HB      ARG  13   3.195 -12.010  -3.937
   87    HB3  ARG  13           1HB      ARG  13   2.464 -13.540  -3.454
   88    HG2  ARG  13           2HG      ARG  13   3.535 -13.112  -6.244
   89    HG3  ARG  13           1HG      ARG  13   4.572 -13.669  -4.930
   90    HD2  ARG  13           2HD      ARG  13   3.024 -15.569  -4.540
   91    HD3  ARG  13           1HD      ARG  13   2.036 -15.029  -5.892
   92    HE   ARG  13           HE       ARG  13   4.695 -16.245  -6.068
   93   HH11  ARG  13          1HH2      ARG  13   1.964 -14.730  -7.562
   94   HH12  ARG  13          2HH2      ARG  13   2.356 -15.281  -9.157
   95   HH21  ARG  13          1HH1      ARG  13   5.213 -16.973  -8.155
   96   HH22  ARG  13          2HH1      ARG  13   4.196 -16.551  -9.492
   97    H    GLU  14           H        GLU  14   1.235  -9.997  -4.434
   98    HA   GLU  14           HA       GLU  14  -0.167 -10.156  -1.942
   99    HB2  GLU  14           2HB      GLU  14  -0.097  -7.625  -3.514
  100    HB3  GLU  14           1HB      GLU  14   0.167  -7.901  -1.793
  101    HG2  GLU  14           2HG      GLU  14   2.274  -9.234  -2.642
  102    HG3  GLU  14           1HG      GLU  14   2.079  -8.209  -4.063
  103    H    SER  15           H        SER  15  -2.172  -8.666  -1.676
  104    HA   SER  15           HA       SER  15  -4.060  -9.058  -3.903
  105    HB2  SER  15           2HB      SER  15  -5.742  -9.650  -2.008
  106    HB3  SER  15           1HB      SER  15  -4.652 -10.863  -2.641
  107    HG   SER  15           HG       SER  15  -3.335 -10.608  -0.886
  108    H    LEU  16           H        LEU  16  -5.221  -7.320  -4.302
  109    HA   LEU  16           HA       LEU  16  -4.937  -4.975  -2.631
  110    HB2  LEU  16           2HB      LEU  16  -5.489  -5.438  -5.342
  111    HB3  LEU  16           1HB      LEU  16  -6.962  -4.719  -4.690
  112    HG   LEU  16           HG       LEU  16  -5.416  -2.966  -5.465
  113   HD11  LEU  16          1HD1      LEU  16  -5.001  -2.379  -2.686
  114   HD12  LEU  16          2HD1      LEU  16  -6.557  -3.191  -2.862
  115   HD13  LEU  16          3HD1      LEU  16  -6.221  -1.719  -3.775
  116   HD21  LEU  16          3HD2      LEU  16  -3.442  -3.324  -3.339
  117   HD22  LEU  16          1HD2      LEU  16  -3.190  -3.042  -5.061
  118   HD23  LEU  16          2HD2      LEU  16  -3.456  -4.682  -4.466
  119    H    SER  17           H        SER  17  -6.252  -4.338  -1.056
  120    HA   SER  17           HA       SER  17  -8.853  -5.702  -0.778
  121    HB2  SER  17           2HB      SER  17  -8.697  -5.266   1.579
  122    HB3  SER  17           1HB      SER  17  -7.148  -5.925   1.065
  123    HG   SER  17           HG       SER  17  -7.406  -3.183   0.878
  124    H    GLY  18           H        GLY  18  -7.334  -2.651  -1.296
  125    HA2  GLY  18           2HA      GLY  18  -9.555  -1.258  -2.119
  126    HA3  GLY  18           1HA      GLY  18  -9.495  -0.999  -0.378
  127    H    VAL  19           H        VAL  19  -9.271   1.258  -1.602
  128    HA   VAL  19           HA       VAL  19  -6.450   1.835  -2.201
  129    HB   VAL  19           HB       VAL  19  -8.379   2.670  -3.656
  130   HG11  VAL  19          1HG1      VAL  19  -9.654   3.337  -1.456
  131   HG12  VAL  19          2HG1      VAL  19  -9.796   4.360  -2.887
  132   HG13  VAL  19          3HG1      VAL  19  -8.703   4.818  -1.581
  133   HG21  VAL  19          3HG2      VAL  19  -6.303   4.478  -2.420
  134   HG22  VAL  19          1HG2      VAL  19  -7.363   5.048  -3.710
  135   HG23  VAL  19          2HG2      VAL  19  -6.272   3.691  -3.998
  136    H    CYS  20           H        CYS  20  -5.189   2.452  -0.579
  137    HA   CYS  20           HA       CYS  20  -6.222   3.296   1.968
  138    HB2  CYS  20           2HB      CYS  20  -3.537   2.819   0.770
  139    HB3  CYS  20           1HB      CYS  20  -3.636   3.792   2.237
  140    H    GLU  21           H        GLU  21  -5.134   5.297   3.005
  141    HA   GLU  21           HA       GLU  21  -4.958   7.540   1.109
  142    HB2  GLU  21           2HB      GLU  21  -7.298   7.437   1.920
  143    HB3  GLU  21           1HB      GLU  21  -6.711   7.548   3.581
  144    HG2  GLU  21           2HG      GLU  21  -5.704   9.723   3.115
  145    HG3  GLU  21           1HG      GLU  21  -6.184   9.610   1.422
  146    H    ILE  22           H        ILE  22  -2.910   8.171   1.463
  147    HA   ILE  22           HA       ILE  22  -2.117   8.718   4.260
  148    HB   ILE  22           HB       ILE  22  -0.401   7.552   2.061
  149   HG12  ILE  22          2HG1      ILE  22  -1.035   6.345   4.757
  150   HG13  ILE  22          1HG1      ILE  22  -2.078   6.065   3.363
  151   HG21  ILE  22          1HG2      ILE  22   1.275   8.586   3.177
  152   HG22  ILE  22          2HG2      ILE  22   0.981   7.409   4.455
  153   HG23  ILE  22          3HG2      ILE  22   0.223   9.000   4.532
  154   HD11  ILE  22          3HD1      ILE  22   0.168   4.589   4.000
  155   HD12  ILE  22          1HD1      ILE  22   0.765   5.693   2.760
  156   HD13  ILE  22          2HD1      ILE  22  -0.608   4.639   2.418
  157    H    SER  23           H        SER  23  -1.226  10.674   4.626
  158    HA   SER  23           HA       SER  23  -0.654  12.869   4.243
  159    HB2  SER  23           2HB      SER  23   0.826  13.066   2.050
  160    HB3  SER  23           1HB      SER  23   1.442  12.286   3.502
  161    HG   SER  23           HG       SER  23   1.295  11.226   1.161
  162    H    GLY  24           H        GLY  24  -3.215  12.058   3.286
  163    HA2  GLY  24           2HA      GLY  24  -4.951  13.042   2.122
  164    HA3  GLY  24           1HA      GLY  24  -3.817  14.279   1.588
  165    H    ARG  25           H        ARG  25  -2.374  11.452   0.820
  166    HA   ARG  25           HA       ARG  25  -3.403  11.548  -1.932
  167    HB2  ARG  25           2HB      ARG  25  -1.032  11.973  -1.801
  168    HB3  ARG  25           1HB      ARG  25  -0.789  10.539  -0.807
  169    HG2  ARG  25           2HG      ARG  25  -1.534   9.103  -2.658
  170    HG3  ARG  25           1HG      ARG  25  -1.833  10.527  -3.654
  171    HD2  ARG  25           2HD      ARG  25   0.548  11.128  -3.531
  172    HD3  ARG  25           1HD      ARG  25   0.858   9.726  -2.513
  173    HE   ARG  25           HE       ARG  25   0.651   8.350  -4.405
  174   HH11  ARG  25          1HH2      ARG  25  -0.206  11.639  -5.053
  175   HH12  ARG  25          2HH2      ARG  25  -0.216  11.443  -6.773
  176   HH21  ARG  25          1HH1      ARG  25   0.641   8.085  -6.663
  177   HH22  ARG  25          2HH1      ARG  25   0.263   9.432  -7.685
  178    H    LEU  26           H        LEU  26  -3.946   9.656  -3.034
  179    HA   LEU  26           HA       LEU  26  -5.073   7.591  -1.375
  180    HB2  LEU  26           2HB      LEU  26  -4.960   8.115  -4.332
  181    HB3  LEU  26           1HB      LEU  26  -5.543   6.568  -3.716
  182    HG   LEU  26           HG       LEU  26  -7.307   8.402  -4.107
  183   HD11  LEU  26          1HD1      LEU  26  -8.388   6.878  -2.839
  184   HD12  LEU  26          2HD1      LEU  26  -7.972   7.876  -1.445
  185   HD13  LEU  26          3HD1      LEU  26  -6.932   6.528  -1.906
  186   HD21  LEU  26          3HD2      LEU  26  -6.283   9.421  -1.451
  187   HD22  LEU  26          1HD2      LEU  26  -7.480  10.159  -2.515
  188   HD23  LEU  26          2HD2      LEU  26  -5.779  10.142  -2.981
  189    H    TYR  27           H        TYR  27  -4.298   5.620  -0.934
  190    HA   TYR  27           HA       TYR  27  -1.772   4.777  -2.219
  191    HB2  TYR  27           2HB      TYR  27  -2.585   4.798   0.635
  192    HB3  TYR  27           1HB      TYR  27  -1.568   3.489   0.043
  193    HD1  TYR  27           2HD      TYR  27  -1.807   7.200  -0.473
  194    HD2  TYR  27           1HD      TYR  27   0.709   3.809   0.302
  195    HE1  TYR  27           2HE      TYR  27   0.180   8.676  -0.410
  196    HE2  TYR  27           1HE      TYR  27   2.696   5.293   0.359
  197    HH   TYR  27           HH       TYR  27   2.474   8.685  -0.525
  198    H    ARG  28           H        ARG  28  -1.426   2.425  -2.237
  199    HA   ARG  28           HA       ARG  28  -3.981   1.037  -2.744
  200    HB2  ARG  28           2HB      ARG  28  -1.150   0.306  -3.565
  201    HB3  ARG  28           1HB      ARG  28  -2.617  -0.550  -4.042
  202    HG2  ARG  28           2HG      ARG  28  -2.175   2.387  -4.617
  203    HG3  ARG  28           1HG      ARG  28  -1.721   1.114  -5.751
  204    HD2  ARG  28           2HD      ARG  28  -4.109   0.283  -5.619
  205    HD3  ARG  28           1HD      ARG  28  -4.491   1.736  -4.703
  206    HE   ARG  28           HE       ARG  28  -3.240   2.055  -7.339
  207   HH11  ARG  28          1HH2      ARG  28  -5.992   2.251  -5.245
  208   HH12  ARG  28          2HH2      ARG  28  -6.900   3.271  -6.311
  209   HH21  ARG  28          1HH1      ARG  28  -4.429   3.388  -8.740
  210   HH22  ARG  28          2HH1      ARG  28  -6.016   3.913  -8.288
  211    H    LEU  29           H        LEU  29  -4.631  -0.612  -1.498
  212    HA   LEU  29           HA       LEU  29  -2.835  -1.470   0.675
  213    HB2  LEU  29           2HB      LEU  29  -4.974  -0.566   1.409
  214    HB3  LEU  29           1HB      LEU  29  -5.839  -1.701   0.373
  215    HG   LEU  29           HG       LEU  29  -4.978  -3.600   1.650
  216   HD11  LEU  29          1HD1      LEU  29  -2.835  -3.078   2.376
  217   HD12  LEU  29          2HD1      LEU  29  -3.734  -2.806   3.868
  218   HD13  LEU  29          3HD1      LEU  29  -3.276  -1.439   2.851
  219   HD21  LEU  29          3HD2      LEU  29  -6.901  -1.929   2.503
  220   HD22  LEU  29          1HD2      LEU  29  -5.765  -1.715   3.837
  221   HD23  LEU  29          2HD2      LEU  29  -6.390  -3.320   3.459
  222    H    CYS  30           H        CYS  30  -1.659  -3.168  -0.020
  223    HA   CYS  30           HA       CYS  30  -3.098  -5.369  -1.355
  224    HB2  CYS  30           2HB      CYS  30  -0.847  -6.099  -2.121
  225    HB3  CYS  30           1HB      CYS  30  -1.336  -4.539  -2.756
  226    H    CYS  31           H        CYS  31  -2.934  -7.497  -0.533
  227    HA   CYS  31           HA       CYS  31  -1.612  -7.669   2.104
  228    HB2  CYS  31           2HB      CYS  31  -4.023  -9.209   1.160
  229    HB3  CYS  31           1HB      CYS  31  -3.350  -9.189   2.778
  230    H    ARG  32           H        ARG  32  -0.288  -9.377   2.493
  231    HA   ARG  32           HA       ARG  32  -0.189 -11.609   0.613
  232    HB2  ARG  32           2HB      ARG  32   2.160 -11.331   0.106
  233    HB3  ARG  32           1HB      ARG  32   1.296  -9.864  -0.355
  234    HG2  ARG  32           2HG      ARG  32   1.892  -9.047   2.050
  235    HG3  ARG  32           1HG      ARG  32   3.116 -10.318   1.994
  236    HD2  ARG  32           2HD      ARG  32   3.986  -9.373  -0.108
  237    HD3  ARG  32           1HD      ARG  32   2.779  -8.094  -0.026
  238    HE   ARG  32           HE       ARG  32   3.925  -7.543   2.214
  239   HH11  ARG  32          1HH2      ARG  32   5.508  -8.942  -0.537
  240   HH12  ARG  32          2HH2      ARG  32   7.064  -8.303  -0.133
  241   HH21  ARG  32          1HH1      ARG  32   5.968  -6.704   2.740
  242   HH22  ARG  32          2HH1      ARG  32   7.325  -7.038   1.716
  Start of MODEL   13
    1    H1   ALA   1           1HT      ALA   1  -1.620 -14.406   5.267
    2    H2   ALA   1           2HT      ALA   1  -3.077 -13.540   5.148
    3    H3   ALA   1           3HT      ALA   1  -2.002 -13.228   6.426
    4    HA   ALA   1           HA       ALA   1  -0.426 -12.815   4.283
    5    HB1  ALA   1           2HB      ALA   1  -2.594 -11.130   3.400
    6    HB2  ALA   1           3HB      ALA   1  -3.090 -12.820   3.330
    7    HB3  ALA   1           1HB      ALA   1  -1.647 -12.288   2.468
    8    H    THR   2           H        THR   2  -0.135 -10.334   3.961
    9    HA   THR   2           HA       THR   2  -0.787  -8.960   6.496
   10    HB   THR   2           HB       THR   2   1.759  -8.780   4.860
   11    HG1  THR   2           1HG      THR   2   1.044 -10.511   6.637
   12   HG21  THR   2          3HG2      THR   2   0.549  -6.880   6.571
   13   HG22  THR   2          1HG2      THR   2   2.188  -6.845   5.919
   14   HG23  THR   2          2HG2      THR   2   1.878  -7.597   7.484
   15    H    CYS   3           H        CYS   3  -2.250  -7.468   6.047
   16    HA   CYS   3           HA       CYS   3  -2.335  -6.158   3.455
   17    HB2  CYS   3           2HB      CYS   3  -4.058  -5.873   5.930
   18    HB3  CYS   3           1HB      CYS   3  -4.335  -5.025   4.415
   19    H    TYR   4           H        TYR   4  -1.676  -4.124   3.013
   20    HA   TYR   4           HA       TYR   4  -1.256  -2.139   5.044
   21    HB2  TYR   4           2HB      TYR   4   1.174  -1.910   4.749
   22    HB3  TYR   4           1HB      TYR   4   0.765  -3.497   5.399
   23    HD1  TYR   4           2HD      TYR   4   1.746  -1.661   2.330
   24    HD2  TYR   4           1HD      TYR   4   1.152  -5.508   4.147
   25    HE1  TYR   4           2HE      TYR   4   2.867  -2.744   0.402
   26    HE2  TYR   4           1HE      TYR   4   2.273  -6.591   2.218
   27    HH   TYR   4           HH       TYR   4   2.809  -6.164  -0.073
   28    H    CYS   5           H        CYS   5  -0.729  -0.064   4.158
   29    HA   CYS   5           HA       CYS   5  -1.524   0.173   1.362
   30    HB2  CYS   5           2HB      CYS   5  -0.860   2.474   3.172
   31    HB3  CYS   5           1HB      CYS   5  -1.970   2.409   1.829
   32    H    ARG   6           H        ARG   6  -0.250   1.006  -0.254
   33    HA   ARG   6           HA       ARG   6   2.521   1.750   0.418
   34    HB2  ARG   6           2HB      ARG   6   3.371   0.383  -1.425
   35    HB3  ARG   6           1HB      ARG   6   2.507  -0.628  -0.268
   36    HG2  ARG   6           2HG      ARG   6   0.824  -1.101  -1.725
   37    HG3  ARG   6           1HG      ARG   6   0.854   0.503  -2.453
   38    HD2  ARG   6           2HD      ARG   6   1.627  -1.362  -3.965
   39    HD3  ARG   6           1HD      ARG   6   2.771  -0.038  -3.783
   40    HE   ARG   6           HE       ARG   6   3.088  -2.367  -2.024
   41   HH11  ARG   6          1HH2      ARG   6   4.072  -0.511  -4.774
   42   HH12  ARG   6          2HH2      ARG   6   5.638  -1.242  -4.880
   43   HH21  ARG   6          1HH1      ARG   6   5.140  -3.330  -2.155
   44   HH22  ARG   6          2HH1      ARG   6   6.244  -2.838  -3.398
   45    H    THR   7           H        THR   7   3.575   3.031  -1.208
   46    HA   THR   7           HA       THR   7   1.741   4.823  -2.551
   47    HB   THR   7           HB       THR   7   4.758   4.753  -2.344
   48    HG1  THR   7           1HG      THR   7   4.400   5.928  -0.655
   49   HG21  THR   7          3HG2      THR   7   4.565   5.940  -4.305
   50   HG22  THR   7          1HG2      THR   7   4.243   7.249  -3.167
   51   HG23  THR   7          2HG2      THR   7   2.903   6.427  -3.969
   52    H    GLY   8           H        GLY   8   0.945   2.976  -3.941
   53    HA2  GLY   8           2HA      GLY   8   1.078   3.095  -6.492
   54    HA3  GLY   8           1HA      GLY   8   2.722   2.509  -6.255
   55    H    ARG   9           H        ARG   9   1.528   0.861  -7.791
   56    HA   ARG   9           HA       ARG   9  -0.244  -1.042  -6.665
   57    HB2  ARG   9           2HB      ARG   9   0.047  -0.714  -9.092
   58    HB3  ARG   9           1HB      ARG   9   1.676  -1.381  -8.969
   59    HG2  ARG   9           2HG      ARG   9   0.826  -3.504  -8.210
   60    HG3  ARG   9           1HG      ARG   9  -0.811  -2.858  -8.083
   61    HD2  ARG   9           2HD      ARG   9  -0.624  -4.125 -10.149
   62    HD3  ARG   9           1HD      ARG   9  -0.787  -2.414 -10.526
   63    HE   ARG   9           HE       ARG   9   1.963  -3.188 -10.346
   64   HH11  ARG   9          1HH2      ARG   9  -0.863  -3.281 -12.342
   65   HH12  ARG   9          2HH2      ARG   9   0.020  -3.367 -13.828
   66   HH21  ARG   9          1HH1      ARG   9   3.128  -3.301 -12.293
   67   HH22  ARG   9          2HH1      ARG   9   2.281  -3.378 -13.800
   68    H    CYS  10           H        CYS  10   0.229  -3.256  -6.128
   69    HA   CYS  10           HA       CYS  10   2.850  -3.532  -4.799
   70    HB2  CYS  10           2HB      CYS  10   0.118  -4.615  -4.262
   71    HB3  CYS  10           1HB      CYS  10   1.519  -5.526  -3.714
   72    H    ALA  11           H        ALA  11   3.018  -6.214  -4.481
   73    HA   ALA  11           HA       ALA  11   3.817  -7.068  -7.128
   74    HB1  ALA  11           1HB      ALA  11   5.297  -8.257  -5.942
   75    HB2  ALA  11           2HB      ALA  11   3.986  -9.194  -5.225
   76    HB3  ALA  11           3HB      ALA  11   4.533  -7.708  -4.450
   77    H    THR  12           H        THR  12   3.217  -9.191  -7.999
   78    HA   THR  12           HA       THR  12   0.439  -9.468  -8.304
   79    HB   THR  12           HB       THR  12   2.645 -11.475  -8.832
   80    HG1  THR  12           1HG      THR  12   1.354 -10.160 -10.874
   81   HG21  THR  12          3HG2      THR  12   0.968 -12.462 -10.404
   82   HG22  THR  12          1HG2      THR  12  -0.246 -11.375  -9.730
   83   HG23  THR  12          2HG2      THR  12   0.499 -12.606  -8.711
   84    H    ARG  13           H        ARG  13   2.741 -11.228  -6.267
   85    HA   ARG  13           HA       ARG  13   1.005 -13.192  -5.275
   86    HB2  ARG  13           2HB      ARG  13   3.307 -11.826  -3.849
   87    HB3  ARG  13           1HB      ARG  13   2.579 -13.367  -3.398
   88    HG2  ARG  13           2HG      ARG  13   3.700 -12.924  -6.161
   89    HG3  ARG  13           1HG      ARG  13   4.730 -13.449  -4.829
   90    HD2  ARG  13           2HD      ARG  13   3.154 -15.356  -4.437
   91    HD3  ARG  13           1HD      ARG  13   2.260 -14.864  -5.870
   92    HE   ARG  13           HE       ARG  13   4.986 -15.981  -5.835
   93   HH11  ARG  13          1HH2      ARG  13   2.193 -14.823  -7.524
   94   HH12  ARG  13          2HH2      ARG  13   2.674 -15.487  -9.049
   95   HH21  ARG  13          1HH1      ARG  13   5.618 -16.850  -7.832
   96   HH22  ARG  13          2HH1      ARG  13   4.612 -16.634  -9.225
   97    H    GLU  14           H        GLU  14   1.394  -9.812  -4.444
   98    HA   GLU  14           HA       GLU  14  -0.062  -9.919  -1.980
   99    HB2  GLU  14           2HB      GLU  14   0.061  -7.408  -3.581
  100    HB3  GLU  14           1HB      GLU  14   0.298  -7.662  -1.853
  101    HG2  GLU  14           2HG      GLU  14   2.390  -9.066  -2.740
  102    HG3  GLU  14           1HG      GLU  14   2.239  -7.934  -4.082
  103    H    SER  15           H        SER  15  -2.133  -8.787  -1.631
  104    HA   SER  15           HA       SER  15  -3.943  -9.013  -3.958
  105    HB2  SER  15           2HB      SER  15  -5.659  -9.777  -2.180
  106    HB3  SER  15           1HB      SER  15  -4.455 -10.908  -2.753
  107    HG   SER  15           HG       SER  15  -4.845 -10.551  -0.348
  108    H    LEU  16           H        LEU  16  -5.280  -7.358  -4.251
  109    HA   LEU  16           HA       LEU  16  -5.035  -5.042  -2.533
  110    HB2  LEU  16           2HB      LEU  16  -5.827  -5.550  -5.240
  111    HB3  LEU  16           1HB      LEU  16  -7.112  -4.652  -4.431
  112    HG   LEU  16           HG       LEU  16  -5.354  -3.189  -5.489
  113   HD11  LEU  16          1HD1      LEU  16  -6.354  -3.126  -2.747
  114   HD12  LEU  16          2HD1      LEU  16  -6.239  -1.819  -3.924
  115   HD13  LEU  16          3HD1      LEU  16  -4.847  -2.227  -2.921
  116   HD21  LEU  16          3HD2      LEU  16  -3.615  -5.021  -4.286
  117   HD22  LEU  16          1HD2      LEU  16  -3.442  -3.559  -3.314
  118   HD23  LEU  16          2HD2      LEU  16  -3.156  -3.502  -5.055
  119    H    SER  17           H        SER  17  -6.303  -4.508  -0.895
  120    HA   SER  17           HA       SER  17  -8.837  -5.983  -0.565
  121    HB2  SER  17           2HB      SER  17  -8.608  -5.664   1.775
  122    HB3  SER  17           1HB      SER  17  -7.001  -6.099   1.210
  123    HG   SER  17           HG       SER  17  -8.013  -3.513   1.771
  124    H    GLY  18           H        GLY  18  -7.461  -2.861  -1.060
  125    HA2  GLY  18           2HA      GLY  18  -9.802  -1.563  -1.758
  126    HA3  GLY  18           1HA      GLY  18  -9.611  -1.289  -0.029
  127    H    VAL  19           H        VAL  19  -9.568   0.965  -1.277
  128    HA   VAL  19           HA       VAL  19  -6.825   1.635  -2.113
  129    HB   VAL  19           HB       VAL  19  -8.777   2.405  -3.480
  130   HG11  VAL  19          1HG1      VAL  19 -10.493   3.630  -2.603
  131   HG12  VAL  19          2HG1      VAL  19  -9.428   4.524  -1.517
  132   HG13  VAL  19          3HG1      VAL  19  -9.976   2.906  -1.080
  133   HG21  VAL  19          3HG2      VAL  19  -7.068   3.840  -3.966
  134   HG22  VAL  19          1HG2      VAL  19  -6.712   4.145  -2.266
  135   HG23  VAL  19          2HG2      VAL  19  -8.041   4.995  -3.056
  136    H    CYS  20           H        CYS  20  -5.452   2.565  -0.757
  137    HA   CYS  20           HA       CYS  20  -6.368   3.434   1.880
  138    HB2  CYS  20           2HB      CYS  20  -3.764   2.659   0.667
  139    HB3  CYS  20           1HB      CYS  20  -3.741   3.724   2.072
  140    H    GLU  21           H        GLU  21  -5.142   5.394   2.787
  141    HA   GLU  21           HA       GLU  21  -4.680   7.491   0.793
  142    HB2  GLU  21           2HB      GLU  21  -7.078   7.653   1.309
  143    HB3  GLU  21           1HB      GLU  21  -6.703   7.772   3.029
  144    HG2  GLU  21           2HG      GLU  21  -5.423   9.828   2.628
  145    HG3  GLU  21           1HG      GLU  21  -5.743   9.704   0.899
  146    H    ILE  22           H        ILE  22  -2.700   8.170   1.327
  147    HA   ILE  22           HA       ILE  22  -2.142   8.753   4.173
  148    HB   ILE  22           HB       ILE  22  -0.233   7.460   2.206
  149   HG12  ILE  22          2HG1      ILE  22  -1.304   6.280   4.778
  150   HG13  ILE  22          1HG1      ILE  22  -2.155   6.061   3.249
  151   HG21  ILE  22          1HG2      ILE  22   0.922   8.956   3.759
  152   HG22  ILE  22          2HG2      ILE  22   1.224   7.285   4.233
  153   HG23  ILE  22          3HG2      ILE  22   0.052   8.256   5.123
  154   HD11  ILE  22          3HD1      ILE  22  -0.657   4.550   2.512
  155   HD12  ILE  22          1HD1      ILE  22  -0.088   4.472   4.179
  156   HD13  ILE  22          2HD1      ILE  22   0.714   5.539   3.023
  157    H    SER  23           H        SER  23  -1.013  10.613   4.569
  158    HA   SER  23           HA       SER  23  -0.176  12.716   4.183
  159    HB2  SER  23           2HB      SER  23   1.640  12.829   2.764
  160    HB3  SER  23           1HB      SER  23   1.495  11.081   2.926
  161    HG   SER  23           HG       SER  23  -0.132  12.100   0.992
  162    H    GLY  24           H        GLY  24  -2.843  11.856   3.078
  163    HA2  GLY  24           2HA      GLY  24  -4.562  13.070   2.090
  164    HA3  GLY  24           1HA      GLY  24  -3.380  14.280   1.598
  165    H    ARG  25           H        ARG  25  -2.148  11.357   0.701
  166    HA   ARG  25           HA       ARG  25  -3.165  11.666  -2.041
  167    HB2  ARG  25           2HB      ARG  25  -0.771  11.931  -1.909
  168    HB3  ARG  25           1HB      ARG  25  -0.621  10.430  -0.998
  169    HG2  ARG  25           2HG      ARG  25  -1.390   9.129  -2.894
  170    HG3  ARG  25           1HG      ARG  25  -1.742  10.597  -3.806
  171    HD2  ARG  25           2HD      ARG  25   0.397   9.679  -4.539
  172    HD3  ARG  25           1HD      ARG  25   0.663  11.208  -3.708
  173    HE   ARG  25           HE       ARG  25   0.857   9.023  -1.887
  174   HH11  ARG  25          1HH2      ARG  25   2.482  10.660  -4.463
  175   HH12  ARG  25          2HH2      ARG  25   4.070  10.222  -3.924
  176   HH21  ARG  25          1HH1      ARG  25   2.933   8.447  -1.173
  177   HH22  ARG  25          2HH1      ARG  25   4.324   8.969  -2.062
  178    H    LEU  26           H        LEU  26  -3.518   9.727  -3.307
  179    HA   LEU  26           HA       LEU  26  -5.001   7.769  -1.792
  180    HB2  LEU  26           2HB      LEU  26  -5.754   8.623  -4.009
  181    HB3  LEU  26           1HB      LEU  26  -4.367   7.832  -4.756
  182    HG   LEU  26           HG       LEU  26  -6.269   6.279  -3.011
  183   HD11  LEU  26          1HD1      LEU  26  -7.829   7.059  -4.564
  184   HD12  LEU  26          2HD1      LEU  26  -7.241   5.599  -5.359
  185   HD13  LEU  26          3HD1      LEU  26  -6.633   7.177  -5.855
  186   HD21  LEU  26          3HD2      LEU  26  -4.787   4.662  -3.531
  187   HD22  LEU  26          1HD2      LEU  26  -3.940   5.727  -4.654
  188   HD23  LEU  26          2HD2      LEU  26  -5.325   4.786  -5.204
  189    H    TYR  27           H        TYR  27  -4.356   5.818  -1.159
  190    HA   TYR  27           HA       TYR  27  -1.802   4.751  -2.197
  191    HB2  TYR  27           2HB      TYR  27  -2.805   5.022   0.582
  192    HB3  TYR  27           1HB      TYR  27  -1.861   3.600   0.156
  193    HD1  TYR  27           1HD      TYR  27  -1.781   7.295  -0.472
  194    HD2  TYR  27           2HD      TYR  27   0.437   3.726   0.416
  195    HE1  TYR  27           1HE      TYR  27   0.314   8.613  -0.354
  196    HE2  TYR  27           2HE      TYR  27   2.530   5.052   0.528
  197    HH   TYR  27           HH       TYR  27   2.646   8.264   0.896
  198    H    ARG  28           H        ARG  28  -1.613   2.431  -2.227
  199    HA   ARG  28           HA       ARG  28  -4.239   1.128  -2.638
  200    HB2  ARG  28           2HB      ARG  28  -1.483   0.323  -3.630
  201    HB3  ARG  28           1HB      ARG  28  -3.000  -0.488  -4.016
  202    HG2  ARG  28           2HG      ARG  28  -2.707   2.453  -4.550
  203    HG3  ARG  28           1HG      ARG  28  -2.040   1.284  -5.693
  204    HD2  ARG  28           2HD      ARG  28  -4.908   1.239  -4.717
  205    HD3  ARG  28           1HD      ARG  28  -4.397   2.005  -6.217
  206    HE   ARG  28           HE       ARG  28  -3.449  -0.657  -6.177
  207   HH11  ARG  28          1HH2      ARG  28  -6.370   1.185  -6.370
  208   HH12  ARG  28          2HH2      ARG  28  -7.223  -0.003  -7.298
  209   HH21  ARG  28          1HH1      ARG  28  -4.560  -2.222  -7.393
  210   HH22  ARG  28          2HH1      ARG  28  -6.197  -1.932  -7.877
  211    H    LEU  29           H        LEU  29  -4.826  -0.593  -1.432
  212    HA   LEU  29           HA       LEU  29  -2.975  -1.440   0.688
  213    HB2  LEU  29           2HB      LEU  29  -5.134  -0.600   1.460
  214    HB3  LEU  29           1HB      LEU  29  -5.977  -1.758   0.434
  215    HG   LEU  29           HG       LEU  29  -5.039  -3.631   1.688
  216   HD11  LEU  29          1HD1      LEU  29  -3.795  -2.777   3.902
  217   HD12  LEU  29          2HD1      LEU  29  -3.365  -1.430   2.846
  218   HD13  LEU  29          3HD1      LEU  29  -2.911  -3.077   2.408
  219   HD21  LEU  29          3HD2      LEU  29  -5.885  -1.708   3.843
  220   HD22  LEU  29          1HD2      LEU  29  -6.365  -3.387   3.592
  221   HD23  LEU  29          2HD2      LEU  29  -7.028  -2.117   2.565
  222    H    CYS  30           H        CYS  30  -1.764  -3.095  -0.038
  223    HA   CYS  30           HA       CYS  30  -3.150  -5.309  -1.396
  224    HB2  CYS  30           2HB      CYS  30  -0.945  -5.985  -2.222
  225    HB3  CYS  30           1HB      CYS  30  -1.341  -4.352  -2.712
  226    H    CYS  31           H        CYS  31  -2.887  -7.463  -0.634
  227    HA   CYS  31           HA       CYS  31  -1.621  -7.649   2.024
  228    HB2  CYS  31           2HB      CYS  31  -4.009  -9.197   1.038
  229    HB3  CYS  31           1HB      CYS  31  -3.340  -9.209   2.655
  230    H    ARG  32           H        ARG  32  -0.279  -9.352   2.394
  231    HA   ARG  32           HA       ARG  32  -0.118 -11.519   0.433
  232    HB2  ARG  32           2HB      ARG  32   2.287 -11.226   0.118
  233    HB3  ARG  32           1HB      ARG  32   1.416  -9.785  -0.409
  234    HG2  ARG  32           2HG      ARG  32   1.816  -8.954   2.035
  235    HG3  ARG  32           1HG      ARG  32   3.082 -10.183   2.058
  236    HD2  ARG  32           2HD      ARG  32   4.039  -9.188  -0.011
  237    HD3  ARG  32           1HD      ARG  32   2.812  -7.923   0.064
  238    HE   ARG  32           HE       ARG  32   4.191  -8.013   2.533
  239   HH11  ARG  32          1HH2      ARG  32   4.649  -7.206  -0.801
  240   HH12  ARG  32          2HH2      ARG  32   5.863  -6.013  -0.488
  241   HH21  ARG  32          1HH1      ARG  32   5.783  -6.448   2.950
  242   HH22  ARG  32          2HH1      ARG  32   6.506  -5.583   1.635
  Start of MODEL   14
    1    H1   ALA   1           1HT      ALA   1  -2.023 -13.415   6.219
    2    H2   ALA   1           2HT      ALA   1  -2.469 -14.167   4.762
    3    H3   ALA   1           3HT      ALA   1  -3.366 -12.850   5.350
    4    HA   ALA   1           HA       ALA   1  -0.576 -12.792   4.343
    5    HB1  ALA   1           2HB      ALA   1  -3.248 -11.875   3.304
    6    HB2  ALA   1           3HB      ALA   1  -1.987 -12.783   2.467
    7    HB3  ALA   1           1HB      ALA   1  -1.767 -11.063   2.792
    8    H    THR   2           H        THR   2  -0.079 -10.318   3.956
    9    HA   THR   2           HA       THR   2  -0.759  -8.885   6.450
   10    HB   THR   2           HB       THR   2   1.798  -8.849   4.823
   11    HG1  THR   2           1HG      THR   2   1.007  -9.868   7.325
   12   HG21  THR   2          3HG2      THR   2   1.779  -6.673   5.559
   13   HG22  THR   2          1HG2      THR   2   2.403  -7.441   7.021
   14   HG23  THR   2          2HG2      THR   2   0.692  -7.027   6.902
   15    H    CYS   3           H        CYS   3  -2.183  -7.353   5.994
   16    HA   CYS   3           HA       CYS   3  -2.233  -6.058   3.396
   17    HB2  CYS   3           2HB      CYS   3  -3.963  -5.672   5.855
   18    HB3  CYS   3           1HB      CYS   3  -4.231  -4.911   4.294
   19    H    TYR   4           H        TYR   4  -1.551  -4.034   2.941
   20    HA   TYR   4           HA       TYR   4  -1.069  -2.064   4.985
   21    HB2  TYR   4           2HB      TYR   4   1.349  -1.854   4.614
   22    HB3  TYR   4           1HB      TYR   4   0.948  -3.450   5.253
   23    HD1  TYR   4           1HD      TYR   4   2.043  -1.560   2.288
   24    HD2  TYR   4           2HD      TYR   4   1.072  -5.445   3.846
   25    HE1  TYR   4           1HE      TYR   4   3.091  -2.620   0.303
   26    HE2  TYR   4           2HE      TYR   4   2.119  -6.503   1.863
   27    HH   TYR   4           HH       TYR   4   3.742  -4.541  -0.624
   28    H    CYS   5           H        CYS   5  -0.436   0.004   4.093
   29    HA   CYS   5           HA       CYS   5  -1.379   0.308   1.340
   30    HB2  CYS   5           2HB      CYS   5  -0.580   2.560   3.160
   31    HB3  CYS   5           1HB      CYS   5  -1.733   2.554   1.870
   32    H    ARG   6           H        ARG   6  -0.155   1.119  -0.319
   33    HA   ARG   6           HA       ARG   6   2.655   1.806   0.240
   34    HB2  ARG   6           2HB      ARG   6   3.429   0.416  -1.603
   35    HB3  ARG   6           1HB      ARG   6   2.539  -0.585  -0.452
   36    HG2  ARG   6           2HG      ARG   6   0.730  -0.856  -1.862
   37    HG3  ARG   6           1HG      ARG   6   1.021   0.653  -2.715
   38    HD2  ARG   6           2HD      ARG   6   2.960  -1.637  -2.903
   39    HD3  ARG   6           1HD      ARG   6   1.560  -1.528  -3.968
   40    HE   ARG   6           HE       ARG   6   2.558   0.820  -4.468
   41   HH11  ARG   6          1HH2      ARG   6   4.305  -2.079  -3.741
   42   HH12  ARG   6          2HH2      ARG   6   5.707  -1.624  -4.647
   43   HH21  ARG   6          1HH1      ARG   6   4.394   1.421  -5.662
   44   HH22  ARG   6          2HH1      ARG   6   5.758   0.356  -5.736
   45    H    THR   7           H        THR   7   3.671   3.038  -1.466
   46    HA   THR   7           HA       THR   7   1.805   4.864  -2.733
   47    HB   THR   7           HB       THR   7   4.832   4.796  -2.778
   48    HG1  THR   7           1HG      THR   7   3.930   6.797  -1.391
   49   HG21  THR   7          3HG2      THR   7   2.793   6.491  -4.062
   50   HG22  THR   7          1HG2      THR   7   4.495   6.272  -4.468
   51   HG23  THR   7          2HG2      THR   7   4.032   7.385  -3.182
   52    H    GLY   8           H        GLY   8   1.050   2.831  -4.012
   53    HA2  GLY   8           2HA      GLY   8   1.096   2.998  -6.610
   54    HA3  GLY   8           1HA      GLY   8   2.729   2.372  -6.385
   55    H    ARG   9           H        ARG   9   1.691   0.658  -7.813
   56    HA   ARG   9           HA       ARG   9  -0.175  -1.161  -6.617
   57    HB2  ARG   9           2HB      ARG   9   1.380  -1.031  -9.138
   58    HB3  ARG   9           1HB      ARG   9   0.864  -2.630  -8.598
   59    HG2  ARG   9           2HG      ARG   9  -1.469  -1.598  -8.293
   60    HG3  ARG   9           1HG      ARG   9  -0.859  -0.220  -9.213
   61    HD2  ARG   9           2HD      ARG   9  -0.281  -1.714 -11.079
   62    HD3  ARG   9           1HD      ARG   9  -0.855  -3.096 -10.146
   63    HE   ARG   9           HE       ARG   9  -2.833  -1.006 -10.509
   64   HH11  ARG   9          1HH2      ARG   9  -1.365  -3.873 -11.775
   65   HH12  ARG   9          2HH2      ARG   9  -2.734  -4.315 -12.740
   66   HH21  ARG   9          1HH1      ARG   9  -4.633  -1.578 -11.771
   67   HH22  ARG   9          2HH1      ARG   9  -4.585  -3.016 -12.736
   68    H    CYS  10           H        CYS  10   0.281  -3.410  -6.143
   69    HA   CYS  10           HA       CYS  10   2.927  -3.705  -4.853
   70    HB2  CYS  10           2HB      CYS  10   0.197  -4.756  -4.250
   71    HB3  CYS  10           1HB      CYS  10   1.588  -5.707  -3.759
   72    H    ALA  11           H        ALA  11   2.932  -6.459  -4.533
   73    HA   ALA  11           HA       ALA  11   3.689  -7.293  -7.222
   74    HB1  ALA  11           1HB      ALA  11   3.884  -9.268  -5.056
   75    HB2  ALA  11           2HB      ALA  11   4.765  -7.771  -4.744
   76    HB3  ALA  11           3HB      ALA  11   5.114  -8.714  -6.194
   77    H    THR  12           H        THR  12   3.080  -9.478  -7.986
   78    HA   THR  12           HA       THR  12   0.295  -9.768  -8.188
   79    HB   THR  12           HB       THR  12   2.591 -11.619  -8.804
   80    HG1  THR  12           1HG      THR  12   2.489 -10.408 -10.500
   81   HG21  THR  12          3HG2      THR  12   0.502 -12.719 -10.134
   82   HG22  THR  12          1HG2      THR  12  -0.313 -12.187  -8.663
   83   HG23  THR  12          2HG2      THR  12   1.059 -13.291  -8.560
   84    H    ARG  13           H        ARG  13   2.662 -11.434  -6.146
   85    HA   ARG  13           HA       ARG  13   0.981 -13.369  -5.028
   86    HB2  ARG  13           2HB      ARG  13   3.311 -11.908  -3.755
   87    HB3  ARG  13           1HB      ARG  13   2.587 -13.396  -3.146
   88    HG2  ARG  13           2HG      ARG  13   3.526 -13.274  -5.995
   89    HG3  ARG  13           1HG      ARG  13   4.700 -13.530  -4.705
   90    HD2  ARG  13           2HD      ARG  13   2.188 -15.190  -4.948
   91    HD3  ARG  13           1HD      ARG  13   3.689 -15.636  -5.752
   92    HE   ARG  13           HE       ARG  13   3.990 -15.114  -2.920
   93   HH11  ARG  13          1HH2      ARG  13   3.207 -17.416  -5.381
   94   HH12  ARG  13          2HH2      ARG  13   3.627 -18.794  -4.421
   95   HH21  ARG  13          1HH1      ARG  13   4.543 -16.916  -1.654
   96   HH22  ARG  13          2HH1      ARG  13   4.384 -18.511  -2.309
   97    H    GLU  14           H        GLU  14   1.315  -9.951  -4.356
   98    HA   GLU  14           HA       GLU  14  -0.125  -9.998  -1.869
   99    HB2  GLU  14           2HB      GLU  14   0.013  -7.529  -3.532
  100    HB3  GLU  14           1HB      GLU  14   0.250  -7.739  -1.795
  101    HG2  GLU  14           2HG      GLU  14   2.332  -9.186  -2.673
  102    HG3  GLU  14           1HG      GLU  14   2.194  -8.049  -4.012
  103    H    SER  15           H        SER  15  -2.167  -8.691  -1.618
  104    HA   SER  15           HA       SER  15  -3.965  -8.994  -3.940
  105    HB2  SER  15           2HB      SER  15  -5.708  -9.667  -2.110
  106    HB3  SER  15           1HB      SER  15  -4.592 -10.851  -2.738
  107    HG   SER  15           HG       SER  15  -3.259  -9.840  -0.845
  108    H    LEU  16           H        LEU  16  -5.203  -7.275  -4.298
  109    HA   LEU  16           HA       LEU  16  -4.947  -4.952  -2.600
  110    HB2  LEU  16           2HB      LEU  16  -5.610  -5.438  -5.309
  111    HB3  LEU  16           1HB      LEU  16  -6.999  -4.631  -4.582
  112    HG   LEU  16           HG       LEU  16  -5.346  -3.007  -5.478
  113   HD11  LEU  16          1HD1      LEU  16  -6.366  -1.836  -3.820
  114   HD12  LEU  16          2HD1      LEU  16  -4.869  -2.090  -2.924
  115   HD13  LEU  16          3HD1      LEU  16  -6.238  -3.173  -2.678
  116   HD21  LEU  16          3HD2      LEU  16  -3.492  -4.801  -4.401
  117   HD22  LEU  16          1HD2      LEU  16  -3.393  -3.392  -3.342
  118   HD23  LEU  16          2HD2      LEU  16  -3.130  -3.213  -5.077
  119    H    SER  17           H        SER  17  -6.274  -4.328  -1.020
  120    HA   SER  17           HA       SER  17  -8.840  -5.764  -0.724
  121    HB2  SER  17           2HB      SER  17  -8.668  -5.364   1.639
  122    HB3  SER  17           1HB      SER  17  -7.112  -5.984   1.101
  123    HG   SER  17           HG       SER  17  -7.266  -3.293   0.862
  124    H    GLY  18           H        GLY  18  -7.358  -2.662  -1.128
  125    HA2  GLY  18           2HA      GLY  18  -9.646  -1.313  -1.917
  126    HA3  GLY  18           1HA      GLY  18  -9.512  -1.050  -0.181
  127    H    VAL  19           H        VAL  19  -9.374   1.207  -1.412
  128    HA   VAL  19           HA       VAL  19  -6.586   1.817  -2.142
  129    HB   VAL  19           HB       VAL  19  -8.402   2.661  -3.602
  130   HG11  VAL  19          1HG1      VAL  19 -10.067   4.154  -2.839
  131   HG12  VAL  19          2HG1      VAL  19  -9.204   4.482  -1.337
  132   HG13  VAL  19          3HG1      VAL  19  -9.994   2.924  -1.577
  133   HG21  VAL  19          3HG2      VAL  19  -6.688   4.593  -2.055
  134   HG22  VAL  19          1HG2      VAL  19  -7.751   5.166  -3.337
  135   HG23  VAL  19          2HG2      VAL  19  -6.477   4.007  -3.700
  136    H    CYS  20           H        CYS  20  -5.262   2.448  -0.576
  137    HA   CYS  20           HA       CYS  20  -6.211   3.306   2.000
  138    HB2  CYS  20           2HB      CYS  20  -3.572   2.766   0.752
  139    HB3  CYS  20           1HB      CYS  20  -3.613   3.775   2.200
  140    H    GLU  21           H        GLU  21  -5.063   5.294   3.001
  141    HA   GLU  21           HA       GLU  21  -4.871   7.522   1.088
  142    HB2  GLU  21           2HB      GLU  21  -6.731   7.451   3.478
  143    HB3  GLU  21           1HB      GLU  21  -6.330   8.908   2.566
  144    HG2  GLU  21           2HG      GLU  21  -7.232   7.923   0.520
  145    HG3  GLU  21           1HG      GLU  21  -7.561   6.413   1.368
  146    H    ILE  22           H        ILE  22  -2.842   8.197   1.466
  147    HA   ILE  22           HA       ILE  22  -2.061   8.693   4.279
  148    HB   ILE  22           HB       ILE  22  -0.323   7.605   2.048
  149   HG12  ILE  22          2HG1      ILE  22  -0.984   6.325   4.708
  150   HG13  ILE  22          1HG1      ILE  22  -1.982   6.056   3.279
  151   HG21  ILE  22          1HG2      ILE  22   0.248   8.761   4.749
  152   HG22  ILE  22          2HG2      ILE  22   1.192   8.868   3.263
  153   HG23  ILE  22          3HG2      ILE  22   1.213   7.383   4.216
  154   HD11  ILE  22          3HD1      ILE  22   0.344   4.661   3.962
  155   HD12  ILE  22          1HD1      ILE  22   0.844   5.748   2.665
  156   HD13  ILE  22          2HD1      ILE  22  -0.489   4.618   2.406
  157    H    SER  23           H        SER  23  -1.198  10.651   4.692
  158    HA   SER  23           HA       SER  23  -0.628  12.852   4.362
  159    HB2  SER  23           2HB      SER  23   0.796  13.102   2.118
  160    HB3  SER  23           1HB      SER  23   1.460  12.345   3.562
  161    HG   SER  23           HG       SER  23   1.630  10.596   2.433
  162    H    GLY  24           H        GLY  24  -3.149  11.778   3.179
  163    HA2  GLY  24           2HA      GLY  24  -4.930  12.891   2.163
  164    HA3  GLY  24           1HA      GLY  24  -3.808  14.126   1.602
  165    H    ARG  25           H        ARG  25  -2.167  11.587   0.702
  166    HA   ARG  25           HA       ARG  25  -3.284  11.568  -1.994
  167    HB2  ARG  25           2HB      ARG  25  -0.892  11.958  -1.787
  168    HB3  ARG  25           1HB      ARG  25  -0.710  10.451  -0.903
  169    HG2  ARG  25           2HG      ARG  25  -1.589   9.217  -2.885
  170    HG3  ARG  25           1HG      ARG  25  -1.649  10.742  -3.768
  171    HD2  ARG  25           2HD      ARG  25   0.852   9.558  -2.537
  172    HD3  ARG  25           1HD      ARG  25   0.425   9.451  -4.242
  173    HE   ARG  25           HE       ARG  25   1.528  11.742  -2.900
  174   HH11  ARG  25          1HH2      ARG  25  -0.531  10.649  -5.457
  175   HH12  ARG  25          2HH2      ARG  25  -0.303  12.062  -6.431
  176   HH21  ARG  25          1HH1      ARG  25   1.832  13.598  -4.172
  177   HH22  ARG  25          2HH1      ARG  25   1.035  13.733  -5.704
  178    H    LEU  26           H        LEU  26  -3.897   9.702  -3.094
  179    HA   LEU  26           HA       LEU  26  -5.066   7.661  -1.452
  180    HB2  LEU  26           2HB      LEU  26  -4.854   8.094  -4.433
  181    HB3  LEU  26           1HB      LEU  26  -5.578   6.635  -3.756
  182    HG   LEU  26           HG       LEU  26  -6.458   9.393  -2.891
  183   HD11  LEU  26          1HD1      LEU  26  -8.150   9.397  -4.561
  184   HD12  LEU  26          2HD1      LEU  26  -7.843   7.713  -4.990
  185   HD13  LEU  26          3HD1      LEU  26  -6.674   8.961  -5.421
  186   HD21  LEU  26          3HD2      LEU  26  -8.407   7.223  -2.963
  187   HD22  LEU  26          1HD2      LEU  26  -7.931   8.248  -1.611
  188   HD23  LEU  26          2HD2      LEU  26  -7.005   6.795  -1.987
  189    H    TYR  27           H        TYR  27  -4.336   5.679  -0.973
  190    HA   TYR  27           HA       TYR  27  -1.810   4.785  -2.225
  191    HB2  TYR  27           2HB      TYR  27  -2.637   4.887   0.614
  192    HB3  TYR  27           1HB      TYR  27  -1.665   3.522   0.068
  193    HD1  TYR  27           2HD      TYR  27  -1.760   7.218  -0.539
  194    HD2  TYR  27           1HD      TYR  27   0.622   3.755   0.344
  195    HE1  TYR  27           2HE      TYR  27   0.280   8.623  -0.490
  196    HE2  TYR  27           1HE      TYR  27   2.657   5.165   0.389
  197    HH   TYR  27           HH       TYR  27   3.462   7.259  -0.385
  198    H    ARG  28           H        ARG  28  -1.504   2.450  -2.292
  199    HA   ARG  28           HA       ARG  28  -4.076   1.073  -2.742
  200    HB2  ARG  28           2HB      ARG  28  -1.265   0.313  -3.609
  201    HB3  ARG  28           1HB      ARG  28  -2.751  -0.524  -4.058
  202    HG2  ARG  28           2HG      ARG  28  -2.394   2.417  -4.612
  203    HG3  ARG  28           1HG      ARG  28  -1.801   1.197  -5.741
  204    HD2  ARG  28           2HD      ARG  28  -4.094   0.209  -5.801
  205    HD3  ARG  28           1HD      ARG  28  -4.657   1.527  -4.783
  206    HE   ARG  28           HE       ARG  28  -3.774   1.760  -7.579
  207   HH11  ARG  28          1HH2      ARG  28  -5.042   3.139  -4.669
  208   HH12  ARG  28          2HH2      ARG  28  -5.598   4.587  -5.435
  209   HH21  ARG  28          1HH1      ARG  28  -4.501   3.659  -8.590
  210   HH22  ARG  28          2HH1      ARG  28  -5.292   4.883  -7.653
  211    H    LEU  29           H        LEU  29  -4.711  -0.575  -1.486
  212    HA   LEU  29           HA       LEU  29  -2.902  -1.432   0.668
  213    HB2  LEU  29           2HB      LEU  29  -5.051  -0.536   1.406
  214    HB3  LEU  29           1HB      LEU  29  -5.907  -1.691   0.381
  215    HG   LEU  29           HG       LEU  29  -4.994  -3.570   1.658
  216   HD11  LEU  29          1HD1      LEU  29  -3.798  -2.708   3.894
  217   HD12  LEU  29          2HD1      LEU  29  -3.339  -1.369   2.841
  218   HD13  LEU  29          3HD1      LEU  29  -2.880  -3.020   2.420
  219   HD21  LEU  29          3HD2      LEU  29  -6.983  -1.993   2.485
  220   HD22  LEU  29          1HD2      LEU  29  -5.868  -1.671   3.812
  221   HD23  LEU  29          2HD2      LEU  29  -6.399  -3.321   3.488
  222    H    CYS  30           H        CYS  30  -1.703  -3.097  -0.101
  223    HA   CYS  30           HA       CYS  30  -3.123  -5.313  -1.418
  224    HB2  CYS  30           2HB      CYS  30  -0.931  -6.018  -2.246
  225    HB3  CYS  30           1HB      CYS  30  -1.293  -4.378  -2.737
  226    H    CYS  31           H        CYS  31  -2.894  -7.448  -0.647
  227    HA   CYS  31           HA       CYS  31  -1.623  -7.659   2.015
  228    HB2  CYS  31           2HB      CYS  31  -4.041  -9.169   1.050
  229    HB3  CYS  31           1HB      CYS  31  -3.364  -9.186   2.657
  230    H    ARG  32           H        ARG  32  -0.178  -9.256   2.285
  231    HA   ARG  32           HA       ARG  32  -0.093 -11.453   0.328
  232    HB2  ARG  32           2HB      ARG  32   2.333 -11.202   0.088
  233    HB3  ARG  32           1HB      ARG  32   1.498  -9.743  -0.449
  234    HG2  ARG  32           2HG      ARG  32   1.839  -9.013   2.074
  235    HG3  ARG  32           1HG      ARG  32   3.159 -10.183   2.004
  236    HD2  ARG  32           2HD      ARG  32   4.006  -9.022  -0.045
  237    HD3  ARG  32           1HD      ARG  32   2.751  -7.808   0.179
  238    HE   ARG  32           HE       ARG  32   4.197  -8.011   2.579
  239   HH11  ARG  32          1HH2      ARG  32   4.610  -7.057  -0.722
  240   HH12  ARG  32          2HH2      ARG  32   5.835  -5.882  -0.373
  241   HH21  ARG  32          1HH1      ARG  32   5.802  -6.473   3.045
  242   HH22  ARG  32          2HH1      ARG  32   6.509  -5.553   1.759
  Start of MODEL   15
    1    H1   ALA   1           1HT      ALA   1  -2.219 -13.128   6.649
    2    H2   ALA   1           2HT      ALA   1  -2.071 -14.323   5.450
    3    H3   ALA   1           3HT      ALA   1  -3.419 -13.288   5.460
    4    HA   ALA   1           HA       ALA   1  -0.720 -12.824   4.488
    5    HB1  ALA   1           2HB      ALA   1  -2.726 -13.031   3.025
    6    HB2  ALA   1           3HB      ALA   1  -1.942 -11.459   2.867
    7    HB3  ALA   1           1HB      ALA   1  -3.420 -11.616   3.816
    8    H    THR   2           H        THR   2  -0.255 -10.401   4.086
    9    HA   THR   2           HA       THR   2  -0.850  -8.875   6.543
   10    HB   THR   2           HB       THR   2   1.715  -9.075   4.953
   11    HG1  THR   2           1HG      THR   2   2.078 -10.425   6.500
   12   HG21  THR   2          3HG2      THR   2   2.263  -7.416   7.058
   13   HG22  THR   2          1HG2      THR   2   0.639  -6.892   6.614
   14   HG23  THR   2          2HG2      THR   2   1.933  -6.863   5.416
   15    H    CYS   3           H        CYS   3  -2.215  -7.312   6.028
   16    HA   CYS   3           HA       CYS   3  -2.199  -6.105   3.383
   17    HB2  CYS   3           2HB      CYS   3  -3.962  -5.613   5.797
   18    HB3  CYS   3           1HB      CYS   3  -4.179  -4.879   4.215
   19    H    TYR   4           H        TYR   4  -1.446  -4.116   2.886
   20    HA   TYR   4           HA       TYR   4  -0.937  -2.121   4.911
   21    HB2  TYR   4           2HB      TYR   4   1.473  -1.955   4.534
   22    HB3  TYR   4           1HB      TYR   4   1.062  -3.560   5.141
   23    HD1  TYR   4           1HD      TYR   4   1.990  -1.618   2.127
   24    HD2  TYR   4           2HD      TYR   4   1.314  -5.528   3.773
   25    HE1  TYR   4           1HE      TYR   4   3.012  -2.644   0.112
   26    HE2  TYR   4           2HE      TYR   4   2.335  -6.553   1.758
   27    HH   TYR   4           HH       TYR   4   4.257  -5.092  -0.272
   28    H    CYS   5           H        CYS   5  -0.494  -0.056   4.021
   29    HA   CYS   5           HA       CYS   5  -1.339   0.197   1.236
   30    HB2  CYS   5           2HB      CYS   5  -0.671   2.508   3.025
   31    HB3  CYS   5           1HB      CYS   5  -1.839   2.403   1.749
   32    H    ARG   6           H        ARG   6  -0.103   1.084  -0.384
   33    HA   ARG   6           HA       ARG   6   2.653   1.894   0.255
   34    HB2  ARG   6           2HB      ARG   6   3.552   0.525  -1.553
   35    HB3  ARG   6           1HB      ARG   6   2.694  -0.505  -0.403
   36    HG2  ARG   6           2HG      ARG   6   0.912  -0.875  -1.839
   37    HG3  ARG   6           1HG      ARG   6   1.196   0.607  -2.747
   38    HD2  ARG   6           2HD      ARG   6   1.835  -1.541  -3.935
   39    HD3  ARG   6           1HD      ARG   6   3.085  -0.310  -3.864
   40    HE   ARG   6           HE       ARG   6   3.073  -2.402  -1.796
   41   HH11  ARG   6          1HH2      ARG   6   4.436  -0.945  -4.623
   42   HH12  ARG   6          2HH2      ARG   6   5.947  -1.778  -4.492
   43   HH21  ARG   6          1HH1      ARG   6   5.052  -3.500  -1.619
   44   HH22  ARG   6          2HH1      ARG   6   6.296  -3.226  -2.791
   45    H    THR   7           H        THR   7   3.616   3.262  -1.315
   46    HA   THR   7           HA       THR   7   1.712   4.925  -2.713
   47    HB   THR   7           HB       THR   7   3.548   6.028  -1.621
   48    HG1  THR   7           1HG      THR   7   4.075   5.963  -4.405
   49   HG21  THR   7          3HG2      THR   7   5.839   5.332  -3.052
   50   HG22  THR   7          1HG2      THR   7   5.038   3.792  -2.744
   51   HG23  THR   7          2HG2      THR   7   5.458   4.853  -1.399
   52    H    GLY   8           H        GLY   8   1.167   2.807  -3.992
   53    HA2  GLY   8           2HA      GLY   8   1.370   3.038  -6.614
   54    HA3  GLY   8           1HA      GLY   8   2.968   2.388  -6.264
   55    H    ARG   9           H        ARG   9   1.975   0.704  -7.782
   56    HA   ARG   9           HA       ARG   9   0.018  -1.094  -6.707
   57    HB2  ARG   9           2HB      ARG   9   1.731  -0.977  -9.126
   58    HB3  ARG   9           1HB      ARG   9   1.170  -2.572  -8.623
   59    HG2  ARG   9           2HG      ARG   9  -1.171  -1.487  -8.448
   60    HG3  ARG   9           1HG      ARG   9  -0.477  -0.160  -9.383
   61    HD2  ARG   9           2HD      ARG   9  -0.395  -3.059 -10.229
   62    HD3  ARG   9           1HD      ARG   9  -1.607  -1.908 -10.784
   63    HE   ARG   9           HE       ARG   9   0.586  -0.609 -11.498
   64   HH11  ARG   9          1HH2      ARG   9  -0.146  -3.988 -11.663
   65   HH12  ARG   9          2HH2      ARG   9   0.853  -4.277 -13.049
   66   HH21  ARG   9          1HH1      ARG   9   1.896  -0.981 -13.315
   67   HH22  ARG   9          2HH1      ARG   9   2.009  -2.575 -13.983
   68    H    CYS  10           H        CYS  10   0.415  -3.354  -6.215
   69    HA   CYS  10           HA       CYS  10   2.976  -3.691  -4.777
   70    HB2  CYS  10           2HB      CYS  10   0.197  -4.666  -4.304
   71    HB3  CYS  10           1HB      CYS  10   1.537  -5.661  -3.746
   72    H    ALA  11           H        ALA  11   3.002  -6.403  -4.447
   73    HA   ALA  11           HA       ALA  11   3.878  -7.280  -7.067
   74    HB1  ALA  11           1HB      ALA  11   4.640  -7.846  -4.451
   75    HB2  ALA  11           2HB      ALA  11   5.207  -8.673  -5.902
   76    HB3  ALA  11           3HB      ALA  11   3.846  -9.325  -4.991
   77    H    THR  12           H        THR  12   3.237  -9.406  -7.930
   78    HA   THR  12           HA       THR  12   0.457  -9.604  -8.306
   79    HB   THR  12           HB       THR  12   2.460 -11.832  -8.711
   80    HG1  THR  12           1HG      THR  12   2.582 -10.857 -10.844
   81   HG21  THR  12          3HG2      THR  12   0.087 -12.431  -8.971
   82   HG22  THR  12          1HG2      THR  12   0.921 -12.463 -10.526
   83   HG23  THR  12          2HG2      THR  12  -0.124 -11.103 -10.114
   84    H    ARG  13           H        ARG  13   2.663 -11.438  -6.228
   85    HA   ARG  13           HA       ARG  13   0.843 -13.332  -5.259
   86    HB2  ARG  13           2HB      ARG  13   3.180 -12.061  -3.805
   87    HB3  ARG  13           1HB      ARG  13   2.380 -13.566  -3.354
   88    HG2  ARG  13           2HG      ARG  13   3.594 -13.160  -6.088
   89    HG3  ARG  13           1HG      ARG  13   4.529 -13.796  -4.735
   90    HD2  ARG  13           2HD      ARG  13   2.782 -15.578  -4.453
   91    HD3  ARG  13           1HD      ARG  13   2.011 -14.994  -5.922
   92    HE   ARG  13           HE       ARG  13   4.607 -16.355  -5.760
   93   HH11  ARG  13          1HH2      ARG  13   2.097 -14.823  -7.584
   94   HH12  ARG  13          2HH2      ARG  13   2.623 -15.461  -9.105
   95   HH21  ARG  13          1HH1      ARG  13   5.304 -17.195  -7.750
   96   HH22  ARG  13          2HH1      ARG  13   4.439 -16.803  -9.199
   97    H    GLU  14           H        GLU  14   1.306  -9.972  -4.444
   98    HA   GLU  14           HA       GLU  14  -0.166 -10.025  -1.992
   99    HB2  GLU  14           2HB      GLU  14   0.012  -7.537  -3.622
  100    HB3  GLU  14           1HB      GLU  14   0.234  -7.773  -1.887
  101    HG2  GLU  14           2HG      GLU  14   2.300  -9.241  -2.791
  102    HG3  GLU  14           1HG      GLU  14   2.187  -8.062  -4.090
  103    H    SER  15           H        SER  15  -2.196  -8.715  -1.715
  104    HA   SER  15           HA       SER  15  -3.994  -8.958  -4.044
  105    HB2  SER  15           2HB      SER  15  -5.761  -9.682  -2.318
  106    HB3  SER  15           1HB      SER  15  -4.560 -10.845  -2.817
  107    HG   SER  15           HG       SER  15  -3.951  -9.229  -0.654
  108    H    LEU  16           H        LEU  16  -5.305  -7.264  -4.340
  109    HA   LEU  16           HA       LEU  16  -4.969  -4.939  -2.650
  110    HB2  LEU  16           2HB      LEU  16  -5.606  -5.360  -5.335
  111    HB3  LEU  16           1HB      LEU  16  -7.088  -4.717  -4.627
  112    HG   LEU  16           HG       LEU  16  -5.650  -2.884  -5.407
  113   HD11  LEU  16          1HD1      LEU  16  -6.508  -1.752  -3.661
  114   HD12  LEU  16          2HD1      LEU  16  -5.145  -2.279  -2.672
  115   HD13  LEU  16          3HD1      LEU  16  -6.620  -3.242  -2.726
  116   HD21  LEU  16          3HD2      LEU  16  -3.589  -3.252  -3.350
  117   HD22  LEU  16          1HD2      LEU  16  -3.408  -2.834  -5.055
  118   HD23  LEU  16          2HD2      LEU  16  -3.576  -4.523  -4.573
  119    H    SER  17           H        SER  17  -6.205  -4.377  -0.988
  120    HA   SER  17           HA       SER  17  -8.767  -5.785  -0.608
  121    HB2  SER  17           2HB      SER  17  -8.524  -5.340   1.738
  122    HB3  SER  17           1HB      SER  17  -6.976  -5.949   1.164
  123    HG   SER  17           HG       SER  17  -7.546  -3.190   1.198
  124    H    GLY  18           H        GLY  18  -7.329  -2.672  -1.106
  125    HA2  GLY  18           2HA      GLY  18  -9.621  -1.349  -1.883
  126    HA3  GLY  18           1HA      GLY  18  -9.510  -1.090  -0.144
  127    H    VAL  19           H        VAL  19  -9.393   1.173  -1.368
  128    HA   VAL  19           HA       VAL  19  -6.606   1.830  -2.062
  129    HB   VAL  19           HB       VAL  19  -8.478   2.633  -3.516
  130   HG11  VAL  19          1HG1      VAL  19  -9.162   4.507  -1.247
  131   HG12  VAL  19          2HG1      VAL  19 -10.018   2.983  -1.479
  132   HG13  VAL  19          3HG1      VAL  19 -10.063   4.220  -2.735
  133   HG21  VAL  19          3HG2      VAL  19  -6.648   4.534  -2.069
  134   HG22  VAL  19          1HG2      VAL  19  -7.757   5.140  -3.300
  135   HG23  VAL  19          2HG2      VAL  19  -6.539   3.937  -3.725
  136    H    CYS  20           H        CYS  20  -5.304   2.567  -0.525
  137    HA   CYS  20           HA       CYS  20  -6.310   3.379   2.059
  138    HB2  CYS  20           2HB      CYS  20  -3.640   2.878   0.849
  139    HB3  CYS  20           1HB      CYS  20  -3.721   3.844   2.324
  140    H    GLU  21           H        GLU  21  -5.038   5.362   3.042
  141    HA   GLU  21           HA       GLU  21  -4.920   7.587   1.130
  142    HB2  GLU  21           2HB      GLU  21  -6.702   7.498   3.567
  143    HB3  GLU  21           1HB      GLU  21  -6.277   8.988   2.725
  144    HG2  GLU  21           2HG      GLU  21  -8.254   8.438   1.638
  145    HG3  GLU  21           1HG      GLU  21  -7.077   7.640   0.596
  146    H    ILE  22           H        ILE  22  -2.842   8.160   1.414
  147    HA   ILE  22           HA       ILE  22  -1.954   8.741   4.174
  148    HB   ILE  22           HB       ILE  22  -0.324   7.473   1.959
  149   HG12  ILE  22          2HG1      ILE  22  -0.937   6.347   4.697
  150   HG13  ILE  22          1HG1      ILE  22  -2.019   6.070   3.333
  151   HG21  ILE  22          1HG2      ILE  22   1.045   9.022   3.249
  152   HG22  ILE  22          2HG2      ILE  22   1.444   7.374   3.733
  153   HG23  ILE  22          3HG2      ILE  22   0.415   8.370   4.762
  154   HD11  ILE  22          3HD1      ILE  22   0.801   5.593   2.684
  155   HD12  ILE  22          1HD1      ILE  22  -0.615   4.585   2.376
  156   HD13  ILE  22          2HD1      ILE  22   0.184   4.528   3.949
  157    H    SER  23           H        SER  23  -0.897  10.644   4.467
  158    HA   SER  23           HA       SER  23  -0.171  12.776   4.019
  159    HB2  SER  23           2HB      SER  23   1.503  12.961   2.440
  160    HB3  SER  23           1HB      SER  23   1.454  11.211   2.633
  161    HG   SER  23           HG       SER  23   0.561  12.829   0.540
  162    H    GLY  24           H        GLY  24  -2.894  11.850   3.166
  163    HA2  GLY  24           2HA      GLY  24  -4.725  13.007   2.331
  164    HA3  GLY  24           1HA      GLY  24  -3.629  14.252   1.740
  165    H    ARG  25           H        ARG  25  -2.493  11.274   0.766
  166    HA   ARG  25           HA       ARG  25  -3.787  11.556  -1.872
  167    HB2  ARG  25           2HB      ARG  25  -1.397  12.008  -1.975
  168    HB3  ARG  25           1HB      ARG  25  -1.053  10.479  -1.169
  169    HG2  ARG  25           2HG      ARG  25  -2.009   9.229  -3.032
  170    HG3  ARG  25           1HG      ARG  25  -2.492  10.730  -3.825
  171    HD2  ARG  25           2HD      ARG  25  -0.430   9.961  -4.840
  172    HD3  ARG  25           1HD      ARG  25  -0.083  11.406  -3.894
  173    HE   ARG  25           HE       ARG  25   1.129  10.083  -2.379
  174   HH11  ARG  25          1HH2      ARG  25  -0.566   8.195  -4.735
  175   HH12  ARG  25          2HH2      ARG  25   0.265   6.723  -4.355
  176   HH21  ARG  25          1HH1      ARG  25   2.222   8.156  -1.879
  177   HH22  ARG  25          2HH1      ARG  25   1.842   6.701  -2.739
  178    H    LEU  26           H        LEU  26  -4.311   9.637  -3.025
  179    HA   LEU  26           HA       LEU  26  -5.326   7.551  -1.332
  180    HB2  LEU  26           2HB      LEU  26  -5.302   8.012  -4.313
  181    HB3  LEU  26           1HB      LEU  26  -5.935   6.523  -3.608
  182    HG   LEU  26           HG       LEU  26  -6.860   9.242  -2.671
  183   HD11  LEU  26          1HD1      LEU  26  -7.743   9.484  -4.756
  184   HD12  LEU  26          2HD1      LEU  26  -8.910   8.278  -4.212
  185   HD13  LEU  26          3HD1      LEU  26  -7.505   7.783  -5.157
  186   HD21  LEU  26          3HD2      LEU  26  -8.211   8.037  -1.314
  187   HD22  LEU  26          1HD2      LEU  26  -7.262   6.621  -1.760
  188   HD23  LEU  26          2HD2      LEU  26  -8.735   7.009  -2.647
  189    H    TYR  27           H        TYR  27  -4.464   5.626  -0.870
  190    HA   TYR  27           HA       TYR  27  -1.986   4.831  -2.272
  191    HB2  TYR  27           2HB      TYR  27  -2.705   4.836   0.603
  192    HB3  TYR  27           1HB      TYR  27  -1.710   3.516  -0.011
  193    HD1  TYR  27           1HD      TYR  27  -1.943   7.208  -0.634
  194    HD2  TYR  27           2HD      TYR  27   0.567   3.843   0.282
  195    HE1  TYR  27           1HE      TYR  27   0.048   8.686  -0.633
  196    HE2  TYR  27           2HE      TYR  27   2.555   5.327   0.283
  197    HH   TYR  27           HH       TYR  27   3.184   7.553  -0.775
  198    H    ARG  28           H        ARG  28  -1.594   2.496  -2.360
  199    HA   ARG  28           HA       ARG  28  -4.129   1.044  -2.778
  200    HB2  ARG  28           2HB      ARG  28  -1.308   0.574  -3.778
  201    HB3  ARG  28           1HB      ARG  28  -2.619  -0.586  -4.007
  202    HG2  ARG  28           2HG      ARG  28  -3.941   1.123  -5.184
  203    HG3  ARG  28           1HG      ARG  28  -2.648   2.300  -4.939
  204    HD2  ARG  28           2HD      ARG  28  -1.111   0.918  -6.254
  205    HD3  ARG  28           1HD      ARG  28  -2.359  -0.308  -6.457
  206    HE   ARG  28           HE       ARG  28  -3.422   1.082  -8.023
  207   HH11  ARG  28          1HH2      ARG  28  -0.784   2.653  -6.429
  208   HH12  ARG  28          2HH2      ARG  28  -0.736   3.991  -7.528
  209   HH21  ARG  28          1HH1      ARG  28  -3.366   2.832  -9.468
  210   HH22  ARG  28          2HH1      ARG  28  -2.198   4.093  -9.248
  211    H    LEU  29           H        LEU  29  -4.712  -0.575  -1.467
  212    HA   LEU  29           HA       LEU  29  -2.815  -1.423   0.618
  213    HB2  LEU  29           2HB      LEU  29  -4.929  -0.542   1.445
  214    HB3  LEU  29           1HB      LEU  29  -5.827  -1.683   0.443
  215    HG   LEU  29           HG       LEU  29  -4.889  -3.577   1.668
  216   HD11  LEU  29          1HD1      LEU  29  -3.565  -2.786   3.839
  217   HD12  LEU  29          2HD1      LEU  29  -3.160  -1.409   2.813
  218   HD13  LEU  29          3HD1      LEU  29  -2.728  -3.043   2.309
  219   HD21  LEU  29          3HD2      LEU  29  -6.238  -3.329   3.528
  220   HD22  LEU  29          1HD2      LEU  29  -6.793  -1.926   2.616
  221   HD23  LEU  29          2HD2      LEU  29  -5.608  -1.726   3.906
  222    H    CYS  30           H        CYS  30  -1.658  -3.128  -0.077
  223    HA   CYS  30           HA       CYS  30  -3.094  -5.317  -1.418
  224    HB2  CYS  30           2HB      CYS  30  -0.916  -6.039  -2.256
  225    HB3  CYS  30           1HB      CYS  30  -1.258  -4.389  -2.730
  226    H    CYS  31           H        CYS  31  -2.896  -7.459  -0.650
  227    HA   CYS  31           HA       CYS  31  -1.627  -7.687   2.008
  228    HB2  CYS  31           2HB      CYS  31  -4.061  -9.174   1.048
  229    HB3  CYS  31           1HB      CYS  31  -3.397  -9.167   2.662
  230    H    ARG  32           H        ARG  32  -0.369  -9.447   2.401
  231    HA   ARG  32           HA       ARG  32  -0.285 -11.631   0.453
  232    HB2  ARG  32           2HB      ARG  32   2.116 -11.423   0.097
  233    HB3  ARG  32           1HB      ARG  32   1.305  -9.941  -0.407
  234    HG2  ARG  32           2HG      ARG  32   1.779  -9.136   2.029
  235    HG3  ARG  32           1HG      ARG  32   2.973 -10.435   2.046
  236    HD2  ARG  32           2HD      ARG  32   4.000  -9.501   0.002
  237    HD3  ARG  32           1HD      ARG  32   2.822  -8.197   0.022
  238    HE   ARG  32           HE       ARG  32   3.843  -7.415   2.099
  239   HH11  ARG  32          1HH2      ARG  32   5.523  -9.851   0.297
  240   HH12  ARG  32          2HH2      ARG  32   7.058  -9.511   1.011
  241   HH21  ARG  32          1HH1      ARG  32   5.860  -6.970   3.042
  242   HH22  ARG  32          2HH1      ARG  32   7.253  -7.884   2.565
  Start of MODEL   16
    1    H1   ALA   1           1HT      ALA   1  -3.176 -13.649   5.227
    2    H2   ALA   1           2HT      ALA   1  -2.230 -13.024   6.493
    3    H3   ALA   1           3HT      ALA   1  -1.616 -14.257   5.500
    4    HA   ALA   1           HA       ALA   1  -0.742 -12.760   4.151
    5    HB1  ALA   1           2HB      ALA   1  -3.447 -12.823   3.515
    6    HB2  ALA   1           3HB      ALA   1  -2.177 -12.079   2.541
    7    HB3  ALA   1           1HB      ALA   1  -3.105 -11.100   3.678
    8    H    THR   2           H        THR   2  -0.303 -10.364   3.839
    9    HA   THR   2           HA       THR   2  -0.692  -8.905   6.381
   10    HB   THR   2           HB       THR   2   1.743  -8.974   4.578
   11    HG1  THR   2           1HG      THR   2   2.145 -10.569   5.877
   12   HG21  THR   2          3HG2      THR   2   2.180  -6.914   5.369
   13   HG22  THR   2          1HG2      THR   2   2.321  -7.633   6.974
   14   HG23  THR   2          2HG2      THR   2   0.778  -6.970   6.437
   15    H    CYS   3           H        CYS   3  -2.166  -7.405   5.938
   16    HA   CYS   3           HA       CYS   3  -2.253  -6.093   3.349
   17    HB2  CYS   3           2HB      CYS   3  -3.932  -5.741   5.850
   18    HB3  CYS   3           1HB      CYS   3  -4.219  -4.932   4.314
   19    H    TYR   4           H        TYR   4  -1.556  -4.069   2.903
   20    HA   TYR   4           HA       TYR   4  -1.065  -2.106   4.942
   21    HB2  TYR   4           2HB      TYR   4   1.353  -1.906   4.603
   22    HB3  TYR   4           1HB      TYR   4   0.944  -3.509   5.217
   23    HD1  TYR   4           2HD      TYR   4   1.973  -1.585   2.234
   24    HD2  TYR   4           1HD      TYR   4   1.182  -5.489   3.843
   25    HE1  TYR   4           2HE      TYR   4   3.042  -2.621   0.250
   26    HE2  TYR   4           1HE      TYR   4   2.249  -6.524   1.857
   27    HH   TYR   4           HH       TYR   4   4.109  -5.657   0.112
   28    H    CYS   5           H        CYS   5  -0.539  -0.030   4.060
   29    HA   CYS   5           HA       CYS   5  -1.414   0.245   1.291
   30    HB2  CYS   5           2HB      CYS   5  -0.661   2.515   3.103
   31    HB3  CYS   5           1HB      CYS   5  -1.819   2.480   1.797
   32    H    ARG   6           H        ARG   6  -0.178   1.064  -0.356
   33    HA   ARG   6           HA       ARG   6   2.611   1.800   0.232
   34    HB2  ARG   6           2HB      ARG   6   3.407   0.409  -1.624
   35    HB3  ARG   6           1HB      ARG   6   2.585  -0.584  -0.422
   36    HG2  ARG   6           2HG      ARG   6   0.851  -1.078  -1.810
   37    HG3  ARG   6           1HG      ARG   6   0.865   0.510  -2.574
   38    HD2  ARG   6           2HD      ARG   6   1.590  -1.406  -4.065
   39    HD3  ARG   6           1HD      ARG   6   2.722  -0.064  -3.960
   40    HE   ARG   6           HE       ARG   6   3.126  -2.358  -2.165
   41   HH11  ARG   6          1HH2      ARG   6   4.030  -0.481  -4.931
   42   HH12  ARG   6          2HH2      ARG   6   5.614  -1.168  -5.050
   43   HH21  ARG   6          1HH1      ARG   6   5.203  -3.261  -2.317
   44   HH22  ARG   6          2HH1      ARG   6   6.278  -2.742  -3.571
   45    H    THR   7           H        THR   7   3.637   3.018  -1.484
   46    HA   THR   7           HA       THR   7   1.739   4.769  -2.830
   47    HB   THR   7           HB       THR   7   4.700   5.018  -3.171
   48    HG1  THR   7           1HG      THR   7   4.962   5.100  -1.106
   49   HG21  THR   7          3HG2      THR   7   2.534   7.043  -2.563
   50   HG22  THR   7          1HG2      THR   7   3.021   6.587  -4.194
   51   HG23  THR   7          2HG2      THR   7   4.176   7.376  -3.118
   52    H    GLY   8           H        GLY   8   1.018   2.917  -4.225
   53    HA2  GLY   8           2HA      GLY   8   1.243   3.001  -6.779
   54    HA3  GLY   8           1HA      GLY   8   2.871   2.405  -6.467
   55    H    ARG   9           H        ARG   9   1.916   0.663  -7.954
   56    HA   ARG   9           HA       ARG   9   0.007  -1.173  -6.900
   57    HB2  ARG   9           2HB      ARG   9   0.457  -0.930  -9.316
   58    HB3  ARG   9           1HB      ARG   9   2.071  -1.595  -9.062
   59    HG2  ARG   9           2HG      ARG   9   1.206  -3.700  -8.364
   60    HG3  ARG   9           1HG      ARG   9  -0.431  -3.059  -8.222
   61    HD2  ARG   9           2HD      ARG   9  -0.276  -4.326 -10.285
   62    HD3  ARG   9           1HD      ARG   9  -0.418  -2.615 -10.673
   63    HE   ARG   9           HE       ARG   9   2.322  -3.427 -10.510
   64   HH11  ARG   9          1HH2      ARG   9  -0.527  -3.483 -12.478
   65   HH12  ARG   9          2HH2      ARG   9   0.344  -3.589 -13.972
   66   HH21  ARG   9          1HH1      ARG   9   3.464  -3.568 -12.465
   67   HH22  ARG   9          2HH1      ARG   9   2.602  -3.636 -13.965
   68    H    CYS  10           H        CYS  10   0.423  -3.358  -6.239
   69    HA   CYS  10           HA       CYS  10   2.951  -3.599  -4.738
   70    HB2  CYS  10           2HB      CYS  10   0.173  -4.603  -4.313
   71    HB3  CYS  10           1HB      CYS  10   1.514  -5.548  -3.668
   72    H    ALA  11           H        ALA  11   3.031  -6.284  -4.290
   73    HA   ALA  11           HA       ALA  11   4.006  -7.258  -6.832
   74    HB1  ALA  11           1HB      ALA  11   3.949  -9.276  -4.774
   75    HB2  ALA  11           2HB      ALA  11   4.573  -7.762  -4.119
   76    HB3  ALA  11           3HB      ALA  11   5.342  -8.495  -5.528
   77    H    THR  12           H        THR  12   3.416  -9.384  -7.683
   78    HA   THR  12           HA       THR  12   0.656  -9.613  -8.159
   79    HB   THR  12           HB       THR  12   2.852 -11.667  -8.507
   80    HG1  THR  12           1HG      THR  12   3.333 -10.137  -9.899
   81   HG21  THR  12          3HG2      THR  12   0.847 -12.901  -8.591
   82   HG22  THR  12          1HG2      THR  12   1.154 -12.495 -10.280
   83   HG23  THR  12          2HG2      THR  12  -0.037 -11.580  -9.356
   84    H    ARG  13           H        ARG  13   2.786 -11.412  -5.970
   85    HA   ARG  13           HA       ARG  13   0.933 -13.300  -5.055
   86    HB2  ARG  13           2HB      ARG  13   3.239 -11.999  -3.578
   87    HB3  ARG  13           1HB      ARG  13   2.390 -13.453  -3.050
   88    HG2  ARG  13           2HG      ARG  13   3.556 -13.327  -5.817
   89    HG3  ARG  13           1HG      ARG  13   4.596 -13.701  -4.444
   90    HD2  ARG  13           2HD      ARG  13   2.018 -15.180  -5.033
   91    HD3  ARG  13           1HD      ARG  13   3.597 -15.723  -5.590
   92    HE   ARG  13           HE       ARG  13   3.544 -15.229  -2.757
   93   HH11  ARG  13          1HH2      ARG  13   2.760 -17.456  -5.286
   94   HH12  ARG  13          2HH2      ARG  13   2.863 -18.856  -4.272
   95   HH21  ARG  13          1HH1      ARG  13   3.678 -17.060  -1.421
   96   HH22  ARG  13          2HH1      ARG  13   3.382 -18.634  -2.084
   97    H    GLU  14           H        GLU  14   1.373  -9.929  -4.249
   98    HA   GLU  14           HA       GLU  14  -0.202  -9.957  -1.861
   99    HB2  GLU  14           2HB      GLU  14   0.046  -7.478  -3.503
  100    HB3  GLU  14           1HB      GLU  14   0.200  -7.702  -1.761
  101    HG2  GLU  14           2HG      GLU  14   2.305  -9.141  -2.474
  102    HG3  GLU  14           1HG      GLU  14   2.227  -8.111  -3.901
  103    H    SER  15           H        SER  15  -2.245  -8.662  -1.673
  104    HA   SER  15           HA       SER  15  -3.943  -8.885  -4.076
  105    HB2  SER  15           2HB      SER  15  -5.772  -9.672  -2.467
  106    HB3  SER  15           1HB      SER  15  -4.518 -10.808  -2.914
  107    HG   SER  15           HG       SER  15  -4.967  -9.504  -0.497
  108    H    LEU  16           H        LEU  16  -5.233  -7.202  -4.399
  109    HA   LEU  16           HA       LEU  16  -5.013  -4.902  -2.676
  110    HB2  LEU  16           2HB      LEU  16  -5.664  -5.332  -5.372
  111    HB3  LEU  16           1HB      LEU  16  -7.129  -4.680  -4.639
  112    HG   LEU  16           HG       LEU  16  -5.672  -2.861  -5.449
  113   HD11  LEU  16          1HD1      LEU  16  -6.658  -3.195  -2.769
  114   HD12  LEU  16          2HD1      LEU  16  -6.528  -1.711  -3.712
  115   HD13  LEU  16          3HD1      LEU  16  -5.175  -2.241  -2.715
  116   HD21  LEU  16          3HD2      LEU  16  -3.620  -4.521  -4.543
  117   HD22  LEU  16          1HD2      LEU  16  -3.617  -3.182  -3.396
  118   HD23  LEU  16          2HD2      LEU  16  -3.432  -2.865  -5.120
  119    H    SER  17           H        SER  17  -6.279  -4.384  -1.016
  120    HA   SER  17           HA       SER  17  -8.813  -5.858  -0.684
  121    HB2  SER  17           2HB      SER  17  -8.582  -5.507   1.671
  122    HB3  SER  17           1HB      SER  17  -7.006  -6.029   1.088
  123    HG   SER  17           HG       SER  17  -7.696  -3.300   1.221
  124    H    GLY  18           H        GLY  18  -7.397  -2.691  -0.989
  125    HA2  GLY  18           2HA      GLY  18  -9.755  -1.393  -1.726
  126    HA3  GLY  18           1HA      GLY  18  -9.562  -1.154   0.009
  127    H    VAL  19           H        VAL  19  -9.518   1.124  -1.196
  128    HA   VAL  19           HA       VAL  19  -6.773   1.809  -2.015
  129    HB   VAL  19           HB       VAL  19  -8.345   2.763  -3.494
  130   HG11  VAL  19          1HG1      VAL  19  -9.962   3.118  -0.996
  131   HG12  VAL  19          2HG1      VAL  19 -10.456   2.497  -2.572
  132   HG13  VAL  19          3HG1      VAL  19 -10.241   4.231  -2.335
  133   HG21  VAL  19          3HG2      VAL  19  -7.819   5.008  -3.329
  134   HG22  VAL  19          1HG2      VAL  19  -6.688   4.370  -2.135
  135   HG23  VAL  19          2HG2      VAL  19  -8.215   5.080  -1.611
  136    H    CYS  20           H        CYS  20  -5.399   2.570  -0.560
  137    HA   CYS  20           HA       CYS  20  -6.289   3.368   2.080
  138    HB2  CYS  20           2HB      CYS  20  -3.660   2.869   0.758
  139    HB3  CYS  20           1HB      CYS  20  -3.705   3.794   2.258
  140    H    GLU  21           H        GLU  21  -4.846   5.334   2.964
  141    HA   GLU  21           HA       GLU  21  -4.765   7.557   1.075
  142    HB2  GLU  21           2HB      GLU  21  -6.624   7.487   3.459
  143    HB3  GLU  21           1HB      GLU  21  -6.191   8.964   2.596
  144    HG2  GLU  21           2HG      GLU  21  -7.074   8.010   0.502
  145    HG3  GLU  21           1HG      GLU  21  -7.500   6.526   1.353
  146    H    ILE  22           H        ILE  22  -2.708   8.145   1.426
  147    HA   ILE  22           HA       ILE  22  -1.914   8.738   4.213
  148    HB   ILE  22           HB       ILE  22  -0.215   7.455   2.063
  149   HG12  ILE  22          2HG1      ILE  22  -0.864   6.332   4.787
  150   HG13  ILE  22          1HG1      ILE  22  -1.971   6.089   3.437
  151   HG21  ILE  22          1HG2      ILE  22   0.431   8.961   4.492
  152   HG22  ILE  22          2HG2      ILE  22   1.488   8.456   3.173
  153   HG23  ILE  22          3HG2      ILE  22   1.126   7.341   4.492
  154   HD11  ILE  22          3HD1      ILE  22  -0.619   4.576   2.462
  155   HD12  ILE  22          1HD1      ILE  22   0.220   4.506   4.012
  156   HD13  ILE  22          2HD1      ILE  22   0.819   5.559   2.730
  157    H    SER  23           H        SER  23  -1.002  10.691   4.531
  158    HA   SER  23           HA       SER  23  -0.238  12.813   4.093
  159    HB2  SER  23           2HB      SER  23   1.512  12.998   2.591
  160    HB3  SER  23           1HB      SER  23   1.487  11.256   2.843
  161    HG   SER  23           HG       SER  23   0.436  11.005   0.928
  162    H    GLY  24           H        GLY  24  -2.907  11.895   3.147
  163    HA2  GLY  24           2HA      GLY  24  -4.690  13.041   2.199
  164    HA3  GLY  24           1HA      GLY  24  -3.555  14.246   1.597
  165    H    ARG  25           H        ARG  25  -2.281  11.357   0.728
  166    HA   ARG  25           HA       ARG  25  -3.494  11.492  -1.950
  167    HB2  ARG  25           2HB      ARG  25  -1.135  11.883  -2.031
  168    HB3  ARG  25           1HB      ARG  25  -0.815  10.480  -1.016
  169    HG2  ARG  25           2HG      ARG  25  -1.720   8.995  -2.765
  170    HG3  ARG  25           1HG      ARG  25  -2.068  10.398  -3.777
  171    HD2  ARG  25           2HD      ARG  25   0.693   9.691  -2.769
  172    HD3  ARG  25           1HD      ARG  25   0.081   9.223  -4.351
  173    HE   ARG  25           HE       ARG  25  -0.245  12.007  -4.043
  174   HH11  ARG  25          1HH2      ARG  25   2.212   9.587  -4.352
  175   HH12  ARG  25          2HH2      ARG  25   3.349  10.646  -5.118
  176   HH21  ARG  25          1HH1      ARG  25   1.243  13.398  -5.045
  177   HH22  ARG  25          2HH1      ARG  25   2.802  12.803  -5.511
  178    H    LEU  26           H        LEU  26  -4.358   9.707  -2.913
  179    HA   LEU  26           HA       LEU  26  -5.294   7.618  -1.207
  180    HB2  LEU  26           2HB      LEU  26  -6.466   6.819  -3.095
  181    HB3  LEU  26           1HB      LEU  26  -6.409   8.565  -3.323
  182    HG   LEU  26           HG       LEU  26  -4.148   7.999  -4.586
  183   HD11  LEU  26          1HD1      LEU  26  -5.023   5.427  -3.944
  184   HD12  LEU  26          2HD1      LEU  26  -3.802   5.837  -5.149
  185   HD13  LEU  26          3HD1      LEU  26  -5.484   5.622  -5.635
  186   HD21  LEU  26          3HD2      LEU  26  -6.915   7.535  -5.744
  187   HD22  LEU  26          1HD2      LEU  26  -5.462   7.844  -6.694
  188   HD23  LEU  26          2HD2      LEU  26  -6.088   9.087  -5.612
  189    H    TYR  27           H        TYR  27  -4.357   5.758  -0.691
  190    HA   TYR  27           HA       TYR  27  -1.992   4.872  -2.223
  191    HB2  TYR  27           2HB      TYR  27  -2.651   4.833   0.665
  192    HB3  TYR  27           1HB      TYR  27  -1.700   3.509  -0.002
  193    HD1  TYR  27           2HD      TYR  27  -1.838   7.194  -0.688
  194    HD2  TYR  27           1HD      TYR  27   0.567   3.806   0.397
  195    HE1  TYR  27           2HE      TYR  27   0.191   8.621  -0.698
  196    HE2  TYR  27           1HE      TYR  27   2.593   5.239   0.382
  197    HH   TYR  27           HH       TYR  27   3.111   7.689   0.656
  198    H    ARG  28           H        ARG  28  -1.648   2.491  -2.238
  199    HA   ARG  28           HA       ARG  28  -4.236   1.136  -2.691
  200    HB2  ARG  28           2HB      ARG  28  -1.438   0.502  -3.685
  201    HB3  ARG  28           1HB      ARG  28  -2.860  -0.493  -4.006
  202    HG2  ARG  28           2HG      ARG  28  -3.954   1.400  -5.124
  203    HG3  ARG  28           1HG      ARG  28  -2.564   2.426  -4.770
  204    HD2  ARG  28           2HD      ARG  28  -2.412   1.594  -7.065
  205    HD3  ARG  28           1HD      ARG  28  -1.121   0.901  -6.088
  206    HE   ARG  28           HE       ARG  28  -2.158  -1.197  -6.265
  207   HH11  ARG  28          1HH2      ARG  28  -4.114   1.358  -7.540
  208   HH12  ARG  28          2HH2      ARG  28  -5.238   0.293  -8.318
  209   HH21  ARG  28          1HH1      ARG  28  -3.629  -2.598  -7.281
  210   HH22  ARG  28          2HH1      ARG  28  -4.965  -1.945  -8.171
  211    H    LEU  29           H        LEU  29  -4.829  -0.562  -1.465
  212    HA   LEU  29           HA       LEU  29  -2.971  -1.425   0.650
  213    HB2  LEU  29           2HB      LEU  29  -5.135  -0.572   1.415
  214    HB3  LEU  29           1HB      LEU  29  -5.972  -1.746   0.400
  215    HG   LEU  29           HG       LEU  29  -5.010  -3.599   1.668
  216   HD11  LEU  29          1HD1      LEU  29  -3.434  -1.359   2.921
  217   HD12  LEU  29          2HD1      LEU  29  -2.863  -2.911   2.304
  218   HD13  LEU  29          3HD1      LEU  29  -3.738  -2.838   3.833
  219   HD21  LEU  29          3HD2      LEU  29  -6.989  -2.008   2.550
  220   HD22  LEU  29          1HD2      LEU  29  -5.842  -1.748   3.865
  221   HD23  LEU  29          2HD2      LEU  29  -6.408  -3.376   3.498
  222    H    CYS  30           H        CYS  30  -1.774  -3.096  -0.066
  223    HA   CYS  30           HA       CYS  30  -3.167  -5.282  -1.466
  224    HB2  CYS  30           2HB      CYS  30  -0.918  -5.979  -2.220
  225    HB3  CYS  30           1HB      CYS  30  -1.339  -4.368  -2.766
  226    H    CYS  31           H        CYS  31  -2.936  -7.453  -0.721
  227    HA   CYS  31           HA       CYS  31  -1.678  -7.688   1.940
  228    HB2  CYS  31           2HB      CYS  31  -4.138  -9.130   0.961
  229    HB3  CYS  31           1HB      CYS  31  -3.448  -9.195   2.572
  230    H    ARG  32           H        ARG  32  -0.225  -9.282   2.159
  231    HA   ARG  32           HA       ARG  32  -0.202 -11.461   0.179
  232    HB2  ARG  32           2HB      ARG  32   2.199 -11.285  -0.068
  233    HB3  ARG  32           1HB      ARG  32   1.453  -9.737  -0.476
  234    HG2  ARG  32           2HG      ARG  32   1.836  -9.324   2.147
  235    HG3  ARG  32           1HG      ARG  32   3.149 -10.465   1.859
  236    HD2  ARG  32           2HD      ARG  32   2.655  -7.987   0.207
  237    HD3  ARG  32           1HD      ARG  32   3.813  -8.071   1.531
  238    HE   ARG  32           HE       ARG  32   4.102  -9.263  -1.110
  239   HH11  ARG  32          1HH2      ARG  32   5.113  -9.147   2.198
  240   HH12  ARG  32          2HH2      ARG  32   6.668  -9.847   1.891
  241   HH21  ARG  32          1HH1      ARG  32   6.139 -10.182  -1.519
  242   HH22  ARG  32          2HH1      ARG  32   7.248 -10.432  -0.214
  Start of MODEL   17
    1    H1   ALA   1           1HT      ALA   1  -1.251 -13.898   5.955
    2    H2   ALA   1           2HT      ALA   1  -2.340 -14.223   4.692
    3    H3   ALA   1           3HT      ALA   1  -2.717 -13.049   5.863
    4    HA   ALA   1           HA       ALA   1  -0.338 -12.806   4.126
    5    HB1  ALA   1           2HB      ALA   1  -3.110 -11.683   3.612
    6    HB2  ALA   1           3HB      ALA   1  -2.390 -13.025   2.723
    7    HB3  ALA   1           1HB      ALA   1  -1.675 -11.414   2.623
    8    H    THR   2           H        THR   2  -0.020 -10.333   3.837
    9    HA   THR   2           HA       THR   2  -0.591  -8.982   6.401
   10    HB   THR   2           HB       THR   2   1.921  -8.866   4.710
   11    HG1  THR   2           1HG      THR   2   1.919 -10.641   6.018
   12   HG21  THR   2          3HG2      THR   2   2.303  -7.561   7.168
   13   HG22  THR   2          1HG2      THR   2   0.760  -6.962   6.559
   14   HG23  THR   2          2HG2      THR   2   2.214  -6.811   5.574
   15    H    CYS   3           H        CYS   3  -2.033  -7.444   6.020
   16    HA   CYS   3           HA       CYS   3  -2.202  -6.133   3.436
   17    HB2  CYS   3           2HB      CYS   3  -3.805  -5.799   5.989
   18    HB3  CYS   3           1HB      CYS   3  -4.133  -4.951   4.484
   19    H    TYR   4           H        TYR   4  -1.524  -4.115   2.955
   20    HA   TYR   4           HA       TYR   4  -0.981  -2.124   4.944
   21    HB2  TYR   4           2HB      TYR   4   1.435  -1.948   4.583
   22    HB3  TYR   4           1HB      TYR   4   1.023  -3.533   5.236
   23    HD1  TYR   4           1HD      TYR   4   1.905  -1.689   2.136
   24    HD2  TYR   4           2HD      TYR   4   1.369  -5.537   3.969
   25    HE1  TYR   4           1HE      TYR   4   2.951  -2.774   0.166
   26    HE2  TYR   4           2HE      TYR   4   2.415  -6.621   1.999
   27    HH   TYR   4           HH       TYR   4   3.859  -6.110   0.171
   28    H    CYS   5           H        CYS   5  -0.574  -0.075   4.035
   29    HA   CYS   5           HA       CYS   5  -1.341   0.120   1.223
   30    HB2  CYS   5           2HB      CYS   5  -0.818   2.478   3.002
   31    HB3  CYS   5           1HB      CYS   5  -1.937   2.309   1.689
   32    H    ARG   6           H        ARG   6  -0.054   0.920  -0.379
   33    HA   ARG   6           HA       ARG   6   2.609   1.940   0.336
   34    HB2  ARG   6           2HB      ARG   6   3.774   0.452  -1.046
   35    HB3  ARG   6           1HB      ARG   6   2.585  -0.590  -0.258
   36    HG2  ARG   6           2HG      ARG   6   1.170  -0.614  -2.174
   37    HG3  ARG   6           1HG      ARG   6   2.052   0.706  -2.943
   38    HD2  ARG   6           2HD      ARG   6   3.277  -1.973  -2.322
   39    HD3  ARG   6           1HD      ARG   6   2.613  -1.521  -3.890
   40    HE   ARG   6           HE       ARG   6   5.103  -0.583  -2.704
   41   HH11  ARG   6          1HH2      ARG   6   2.623  -0.159  -5.078
   42   HH12  ARG   6          2HH2      ARG   6   3.610   0.787  -6.141
   43   HH21  ARG   6          1HH1      ARG   6   6.402   0.660  -4.092
   44   HH22  ARG   6          2HH1      ARG   6   5.748   1.252  -5.583
   45    H    THR   7           H        THR   7   3.566   3.267  -1.275
   46    HA   THR   7           HA       THR   7   1.650   4.735  -2.843
   47    HB   THR   7           HB       THR   7   3.235   6.216  -2.137
   48    HG1  THR   7           1HG      THR   7   3.408   5.744  -4.574
   49   HG21  THR   7          3HG2      THR   7   4.605   4.812  -0.834
   50   HG22  THR   7          1HG2      THR   7   5.719   5.482  -2.027
   51   HG23  THR   7          2HG2      THR   7   5.091   3.846  -2.228
   52    H    GLY   8           H        GLY   8   0.928   3.031  -4.268
   53    HA2  GLY   8           2HA      GLY   8   1.300   2.968  -6.790
   54    HA3  GLY   8           1HA      GLY   8   2.875   2.301  -6.369
   55    H    ARG   9           H        ARG   9   2.011   0.521  -7.788
   56    HA   ARG   9           HA       ARG   9  -0.033  -1.193  -6.677
   57    HB2  ARG   9           2HB      ARG   9   0.154  -1.069  -9.076
   58    HB3  ARG   9           1HB      ARG   9   1.852  -1.543  -9.007
   59    HG2  ARG   9           2HG      ARG   9   1.286  -3.724  -8.177
   60    HG3  ARG   9           1HG      ARG   9  -0.401  -3.270  -7.961
   61    HD2  ARG   9           2HD      ARG   9  -0.673  -2.996 -10.358
   62    HD3  ARG   9           1HD      ARG   9   1.035  -3.325 -10.624
   63    HE   ARG   9           HE       ARG   9  -0.042  -5.518  -9.253
   64   HH11  ARG   9          1HH2      ARG   9  -0.361  -3.871 -12.279
   65   HH12  ARG   9          2HH2      ARG   9  -0.820  -5.290 -13.160
   66   HH21  ARG   9          1HH1      ARG   9  -0.644  -7.382 -10.400
   67   HH22  ARG   9          2HH1      ARG   9  -0.980  -7.278 -12.097
   68    H    CYS  10           H        CYS  10   0.368  -3.441  -6.127
   69    HA   CYS  10           HA       CYS  10   2.952  -3.756  -4.728
   70    HB2  CYS  10           2HB      CYS  10   0.177  -4.692  -4.200
   71    HB3  CYS  10           1HB      CYS  10   1.496  -5.737  -3.691
   72    H    ALA  11           H        ALA  11   2.898  -6.504  -4.367
   73    HA   ALA  11           HA       ALA  11   3.769  -7.395  -6.993
   74    HB1  ALA  11           1HB      ALA  11   3.857  -9.491  -5.051
   75    HB2  ALA  11           2HB      ALA  11   4.436  -8.007  -4.296
   76    HB3  ALA  11           3HB      ALA  11   5.201  -8.604  -5.768
   77    H    THR  12           H        THR  12   3.116  -9.517  -7.833
   78    HA   THR  12           HA       THR  12   0.335  -9.733  -8.155
   79    HB   THR  12           HB       THR  12   2.609 -11.623  -8.727
   80    HG1  THR  12           1HG      THR  12   0.788 -10.238 -10.397
   81   HG21  THR  12          3HG2      THR  12   0.514 -12.601 -10.173
   82   HG22  THR  12          1HG2      THR  12  -0.298 -12.133  -8.680
   83   HG23  THR  12          2HG2      THR  12   1.047 -13.272  -8.631
   84    H    ARG  13           H        ARG  13   2.582 -11.502  -6.067
   85    HA   ARG  13           HA       ARG  13   0.804 -13.408  -5.047
   86    HB2  ARG  13           2HB      ARG  13   3.160 -12.043  -3.717
   87    HB3  ARG  13           1HB      ARG  13   2.345 -13.473  -3.083
   88    HG2  ARG  13           2HG      ARG  13   3.427 -13.426  -5.894
   89    HG3  ARG  13           1HG      ARG  13   4.463 -13.842  -4.528
   90    HD2  ARG  13           2HD      ARG  13   2.851 -15.614  -3.877
   91    HD3  ARG  13           1HD      ARG  13   1.875 -15.230  -5.287
   92    HE   ARG  13           HE       ARG  13   4.674 -15.965  -5.743
   93   HH11  ARG  13          1HH2      ARG  13   1.304 -16.744  -5.796
   94   HH12  ARG  13          2HH2      ARG  13   1.491 -18.089  -6.869
   95   HH21  ARG  13          1HH1      ARG  13   4.928 -17.729  -7.150
   96   HH22  ARG  13          2HH1      ARG  13   3.541 -18.648  -7.637
   97    H    GLU  14           H        GLU  14   1.246 -10.022  -4.271
   98    HA   GLU  14           HA       GLU  14  -0.252 -10.048  -1.838
   99    HB2  GLU  14           2HB      GLU  14  -0.093  -7.589  -3.513
  100    HB3  GLU  14           1HB      GLU  14   0.119  -7.787  -1.773
  101    HG2  GLU  14           2HG      GLU  14   2.210  -9.254  -2.647
  102    HG3  GLU  14           1HG      GLU  14   2.093  -8.088  -3.960
  103    H    SER  15           H        SER  15  -2.278  -8.647  -1.645
  104    HA   SER  15           HA       SER  15  -4.060  -8.988  -3.969
  105    HB2  SER  15           2HB      SER  15  -5.840  -9.667  -2.223
  106    HB3  SER  15           1HB      SER  15  -4.655 -10.846  -2.713
  107    HG   SER  15           HG       SER  15  -5.145  -9.974  -0.290
  108    H    LEU  16           H        LEU  16  -5.374  -7.304  -4.317
  109    HA   LEU  16           HA       LEU  16  -5.064  -4.946  -2.681
  110    HB2  LEU  16           2HB      LEU  16  -5.858  -5.515  -5.360
  111    HB3  LEU  16           1HB      LEU  16  -7.165  -4.617  -4.586
  112    HG   LEU  16           HG       LEU  16  -5.416  -3.158  -5.671
  113   HD11  LEU  16          1HD1      LEU  16  -6.615  -1.967  -4.085
  114   HD12  LEU  16          2HD1      LEU  16  -5.001  -1.872  -3.378
  115   HD13  LEU  16          3HD1      LEU  16  -6.163  -3.053  -2.772
  116   HD21  LEU  16          3HD2      LEU  16  -3.663  -4.923  -4.406
  117   HD22  LEU  16          1HD2      LEU  16  -3.541  -3.447  -3.443
  118   HD23  LEU  16          2HD2      LEU  16  -3.218  -3.400  -5.178
  119    H    SER  17           H        SER  17  -6.256  -4.423  -0.983
  120    HA   SER  17           HA       SER  17  -8.827  -5.807  -0.594
  121    HB2  SER  17           2HB      SER  17  -8.571  -5.364   1.742
  122    HB3  SER  17           1HB      SER  17  -7.010  -5.935   1.168
  123    HG   SER  17           HG       SER  17  -7.639  -3.603   2.310
  124    H    GLY  18           H        GLY  18  -7.402  -2.706  -1.158
  125    HA2  GLY  18           2HA      GLY  18  -9.696  -1.393  -1.932
  126    HA3  GLY  18           1HA      GLY  18  -9.579  -1.112  -0.198
  127    H    VAL  19           H        VAL  19  -9.470   1.134  -1.455
  128    HA   VAL  19           HA       VAL  19  -6.686   1.787  -2.152
  129    HB   VAL  19           HB       VAL  19  -8.175   2.714  -3.731
  130   HG11  VAL  19          1HG1      VAL  19  -9.897   3.231  -1.322
  131   HG12  VAL  19          2HG1      VAL  19 -10.319   2.439  -2.840
  132   HG13  VAL  19          3HG1      VAL  19 -10.129   4.191  -2.784
  133   HG21  VAL  19          3HG2      VAL  19  -8.141   5.096  -1.949
  134   HG22  VAL  19          1HG2      VAL  19  -7.588   4.928  -3.616
  135   HG23  VAL  19          2HG2      VAL  19  -6.584   4.342  -2.289
  136    H    CYS  20           H        CYS  20  -5.389   2.493  -0.596
  137    HA   CYS  20           HA       CYS  20  -6.413   3.382   1.953
  138    HB2  CYS  20           2HB      CYS  20  -3.719   2.854   0.789
  139    HB3  CYS  20           1HB      CYS  20  -3.831   3.825   2.260
  140    H    GLU  21           H        GLU  21  -4.724   5.343   2.758
  141    HA   GLU  21           HA       GLU  21  -4.578   7.519   0.876
  142    HB2  GLU  21           2HB      GLU  21  -6.141   8.965   2.313
  143    HB3  GLU  21           1HB      GLU  21  -6.895   7.803   1.221
  144    HG2  GLU  21           2HG      GLU  21  -7.127   6.197   3.074
  145    HG3  GLU  21           1HG      GLU  21  -6.355   7.343   4.168
  146    H    ILE  22           H        ILE  22  -2.673   8.345   1.435
  147    HA   ILE  22           HA       ILE  22  -2.125   8.791   4.309
  148    HB   ILE  22           HB       ILE  22   0.051   8.171   2.333
  149   HG12  ILE  22          2HG1      ILE  22  -1.719   6.340   2.349
  150   HG13  ILE  22          1HG1      ILE  22  -0.109   5.826   2.848
  151   HG21  ILE  22          1HG2      ILE  22   1.113   7.345   4.477
  152   HG22  ILE  22          2HG2      ILE  22  -0.281   8.003   5.336
  153   HG23  ILE  22          3HG2      ILE  22   0.791   9.078   4.436
  154   HD11  ILE  22          3HD1      ILE  22  -0.738   6.023   5.198
  155   HD12  ILE  22          1HD1      ILE  22  -1.886   4.975   4.364
  156   HD13  ILE  22          2HD1      ILE  22  -2.326   6.638   4.747
  157    H    SER  23           H        SER  23  -1.419  10.779   4.845
  158    HA   SER  23           HA       SER  23  -0.937  13.018   4.635
  159    HB2  SER  23           2HB      SER  23   0.616  13.471   2.545
  160    HB3  SER  23           1HB      SER  23   1.224  12.584   3.938
  161    HG   SER  23           HG       SER  23   0.817  11.757   1.386
  162    H    GLY  24           H        GLY  24  -3.281  11.774   3.172
  163    HA2  GLY  24           2HA      GLY  24  -5.076  12.909   2.150
  164    HA3  GLY  24           1HA      GLY  24  -3.954  14.155   1.612
  165    H    ARG  25           H        ARG  25  -2.110  11.897   0.701
  166    HA   ARG  25           HA       ARG  25  -3.116  11.760  -1.999
  167    HB2  ARG  25           2HB      ARG  25  -0.723  12.101  -1.558
  168    HB3  ARG  25           1HB      ARG  25  -0.655  10.529  -0.782
  169    HG2  ARG  25           2HG      ARG  25  -1.370   9.447  -2.881
  170    HG3  ARG  25           1HG      ARG  25  -1.435  11.025  -3.665
  171    HD2  ARG  25           2HD      ARG  25   1.054   9.857  -2.395
  172    HD3  ARG  25           1HD      ARG  25   0.691   9.777  -4.116
  173    HE   ARG  25           HE       ARG  25   1.548  12.126  -2.631
  174   HH11  ARG  25          1HH2      ARG  25   0.063  10.817  -5.469
  175   HH12  ARG  25          2HH2      ARG  25   0.396  12.205  -6.451
  176   HH21  ARG  25          1HH1      ARG  25   1.989  13.950  -3.913
  177   HH22  ARG  25          2HH1      ARG  25   1.486  13.978  -5.570
  178    H    LEU  26           H        LEU  26  -3.563   9.859  -3.175
  179    HA   LEU  26           HA       LEU  26  -4.956   7.865  -1.643
  180    HB2  LEU  26           2HB      LEU  26  -4.491   8.391  -4.561
  181    HB3  LEU  26           1HB      LEU  26  -5.108   6.818  -4.053
  182    HG   LEU  26           HG       LEU  26  -6.864   8.602  -4.610
  183   HD11  LEU  26          1HD1      LEU  26  -7.806   8.055  -2.038
  184   HD12  LEU  26          2HD1      LEU  26  -6.686   6.736  -2.375
  185   HD13  LEU  26          3HD1      LEU  26  -8.035   7.047  -3.466
  186   HD21  LEU  26          3HD2      LEU  26  -5.476  10.352  -3.281
  187   HD22  LEU  26          1HD2      LEU  26  -6.218   9.638  -1.850
  188   HD23  LEU  26          2HD2      LEU  26  -7.229  10.374  -3.091
  189    H    TYR  27           H        TYR  27  -4.405   5.782  -1.232
  190    HA   TYR  27           HA       TYR  27  -1.788   4.828  -2.208
  191    HB2  TYR  27           2HB      TYR  27  -2.746   5.081   0.589
  192    HB3  TYR  27           1HB      TYR  27  -1.780   3.676   0.159
  193    HD1  TYR  27           2HD      TYR  27  -1.819   7.397  -0.139
  194    HD2  TYR  27           1HD      TYR  27   0.550   3.823   0.039
  195    HE1  TYR  27           2HE      TYR  27   0.251   8.762  -0.056
  196    HE2  TYR  27           1HE      TYR  27   2.618   5.192   0.112
  197    HH   TYR  27           HH       TYR  27   3.466   7.238   0.062
  198    H    ARG  28           H        ARG  28  -1.578   2.550  -2.384
  199    HA   ARG  28           HA       ARG  28  -4.176   1.195  -2.710
  200    HB2  ARG  28           2HB      ARG  28  -1.411   0.608  -3.802
  201    HB3  ARG  28           1HB      ARG  28  -2.790  -0.473  -4.011
  202    HG2  ARG  28           2HG      ARG  28  -4.045   1.307  -5.140
  203    HG3  ARG  28           1HG      ARG  28  -2.707   2.430  -4.889
  204    HD2  ARG  28           2HD      ARG  28  -1.239   1.007  -6.252
  205    HD3  ARG  28           1HD      ARG  28  -2.550  -0.148  -6.479
  206    HE   ARG  28           HE       ARG  28  -3.547   1.334  -7.999
  207   HH11  ARG  28          1HH2      ARG  28  -0.848   2.746  -6.357
  208   HH12  ARG  28          2HH2      ARG  28  -0.750   4.118  -7.408
  209   HH21  ARG  28          1HH1      ARG  28  -3.425   3.132  -9.382
  210   HH22  ARG  28          2HH1      ARG  28  -2.208   4.338  -9.122
  211    H    LEU  29           H        LEU  29  -4.744  -0.523  -1.501
  212    HA   LEU  29           HA       LEU  29  -2.858  -1.386   0.581
  213    HB2  LEU  29           2HB      LEU  29  -5.003  -0.545   1.401
  214    HB3  LEU  29           1HB      LEU  29  -5.864  -1.693   0.383
  215    HG   LEU  29           HG       LEU  29  -4.920  -3.573   1.603
  216   HD11  LEU  29          1HD1      LEU  29  -2.762  -3.052   2.253
  217   HD12  LEU  29          2HD1      LEU  29  -3.593  -2.762   3.780
  218   HD13  LEU  29          3HD1      LEU  29  -3.184  -1.407   2.732
  219   HD21  LEU  29          3HD2      LEU  29  -6.825  -1.942   2.575
  220   HD22  LEU  29          1HD2      LEU  29  -5.634  -1.747   3.861
  221   HD23  LEU  29          2HD2      LEU  29  -6.257  -3.350   3.473
  222    H    CYS  30           H        CYS  30  -1.728  -3.146   0.065
  223    HA   CYS  30           HA       CYS  30  -3.114  -5.302  -1.387
  224    HB2  CYS  30           2HB      CYS  30  -0.958  -5.974  -2.275
  225    HB3  CYS  30           1HB      CYS  30  -1.254  -4.283  -2.650
  226    H    CYS  31           H        CYS  31  -2.929  -7.429  -0.626
  227    HA   CYS  31           HA       CYS  31  -1.609  -7.692   2.010
  228    HB2  CYS  31           2HB      CYS  31  -4.099  -9.116   1.086
  229    HB3  CYS  31           1HB      CYS  31  -3.378  -9.188   2.673
  230    H    ARG  32           H        ARG  32  -0.166  -9.292   2.204
  231    HA   ARG  32           HA       ARG  32  -0.206 -11.494   0.243
  232    HB2  ARG  32           2HB      ARG  32   2.169 -11.305  -0.141
  233    HB3  ARG  32           1HB      ARG  32   1.424  -9.745  -0.488
  234    HG2  ARG  32           2HG      ARG  32   1.950  -9.341   2.101
  235    HG3  ARG  32           1HG      ARG  32   3.208 -10.534   1.771
  236    HD2  ARG  32           2HD      ARG  32   3.972  -9.159  -0.152
  237    HD3  ARG  32           1HD      ARG  32   2.756  -7.950   0.259
  238    HE   ARG  32           HE       ARG  32   4.152  -8.216   2.578
  239   HH11  ARG  32          1HH2      ARG  32   5.036  -7.719  -0.731
  240   HH12  ARG  32          2HH2      ARG  32   6.466  -6.816  -0.358
  241   HH21  ARG  32          1HH1      ARG  32   6.028  -7.034   3.075
  242   HH22  ARG  32          2HH1      ARG  32   7.027  -6.429   1.797
  Start of MODEL   18
    1    H1   ALA   1           1HT      ALA   1  -2.749 -13.061   6.514
    2    H2   ALA   1           2HT      ALA   1  -1.300 -13.942   6.427
    3    H3   ALA   1           3HT      ALA   1  -2.560 -14.266   5.336
    4    HA   ALA   1           HA       ALA   1  -0.597 -12.888   4.503
    5    HB1  ALA   1           2HB      ALA   1  -3.359 -12.924   3.914
    6    HB2  ALA   1           3HB      ALA   1  -2.050 -12.399   2.855
    7    HB3  ALA   1           1HB      ALA   1  -2.879 -11.228   3.881
    8    H    THR   2           H        THR   2  -0.166 -10.506   4.149
    9    HA   THR   2           HA       THR   2  -0.611  -8.989   6.645
   10    HB   THR   2           HB       THR   2   1.843  -9.121   4.874
   11    HG1  THR   2           1HG      THR   2   2.560 -10.353   6.397
   12   HG21  THR   2          3HG2      THR   2   0.856  -7.032   6.696
   13   HG22  THR   2          1HG2      THR   2   2.092  -6.938   5.442
   14   HG23  THR   2          2HG2      THR   2   2.503  -7.565   7.039
   15    H    CYS   3           H        CYS   3  -2.049  -7.473   6.199
   16    HA   CYS   3           HA       CYS   3  -2.194  -6.242   3.574
   17    HB2  CYS   3           2HB      CYS   3  -3.836  -5.870   6.090
   18    HB3  CYS   3           1HB      CYS   3  -4.125  -5.014   4.580
   19    H    TYR   4           H        TYR   4  -1.520  -4.228   3.053
   20    HA   TYR   4           HA       TYR   4  -0.957  -2.226   5.045
   21    HB2  TYR   4           2HB      TYR   4   1.436  -2.025   4.607
   22    HB3  TYR   4           1HB      TYR   4   1.070  -3.636   5.221
   23    HD1  TYR   4           2HD      TYR   4   1.956  -1.672   2.222
   24    HD2  TYR   4           1HD      TYR   4   1.248  -5.600   3.809
   25    HE1  TYR   4           2HE      TYR   4   2.941  -2.674   0.178
   26    HE2  TYR   4           1HE      TYR   4   2.232  -6.602   1.765
   27    HH   TYR   4           HH       TYR   4   2.915  -4.737  -1.051
   28    H    CYS   5           H        CYS   5  -0.526  -0.163   4.119
   29    HA   CYS   5           HA       CYS   5  -1.451   0.054   1.354
   30    HB2  CYS   5           2HB      CYS   5  -0.839   2.353   3.196
   31    HB3  CYS   5           1HB      CYS   5  -1.930   2.286   1.842
   32    H    ARG   6           H        ARG   6  -0.266   1.002  -0.282
   33    HA   ARG   6           HA       ARG   6   2.502   1.811   0.325
   34    HB2  ARG   6           2HB      ARG   6   3.358   0.512  -1.546
   35    HB3  ARG   6           1HB      ARG   6   2.496  -0.564  -0.445
   36    HG2  ARG   6           2HG      ARG   6   0.730  -0.878  -1.893
   37    HG3  ARG   6           1HG      ARG   6   0.951   0.679  -2.688
   38    HD2  ARG   6           2HD      ARG   6   2.953  -1.568  -2.931
   39    HD3  ARG   6           1HD      ARG   6   1.611  -1.353  -4.052
   40    HE   ARG   6           HE       ARG   6   2.693   1.049  -4.220
   41   HH11  ARG   6          1HH2      ARG   6   4.216  -2.049  -3.977
   42   HH12  ARG   6          2HH2      ARG   6   5.628  -1.578  -4.863
   43   HH21  ARG   6          1HH1      ARG   6   4.543   1.674  -5.381
   44   HH22  ARG   6          2HH1      ARG   6   5.814   0.529  -5.657
   45    H    THR   7           H        THR   7   3.477   3.134  -1.344
   46    HA   THR   7           HA       THR   7   1.515   4.881  -2.600
   47    HB   THR   7           HB       THR   7   3.594   5.679  -1.351
   48    HG1  THR   7           1HG      THR   7   2.428   6.533  -3.594
   49   HG21  THR   7          3HG2      THR   7   4.881   3.901  -3.010
   50   HG22  THR   7          1HG2      THR   7   5.670   5.212  -2.133
   51   HG23  THR   7          2HG2      THR   7   5.184   5.441  -3.813
   52    H    GLY   8           H        GLY   8   0.997   2.804  -3.957
   53    HA2  GLY   8           2HA      GLY   8   1.170   3.121  -6.563
   54    HA3  GLY   8           1HA      GLY   8   2.795   2.516  -6.256
   55    H    ARG   9           H        ARG   9   1.796   0.858  -7.841
   56    HA   ARG   9           HA       ARG   9  -0.095  -1.032  -6.866
   57    HB2  ARG   9           2HB      ARG   9   0.294  -0.735  -9.250
   58    HB3  ARG   9           1HB      ARG   9   1.960  -1.282  -9.059
   59    HG2  ARG   9           2HG      ARG   9   1.257  -3.474  -8.399
   60    HG3  ARG   9           1HG      ARG   9  -0.423  -2.958  -8.263
   61    HD2  ARG   9           2HD      ARG   9  -0.102  -4.170 -10.360
   62    HD3  ARG   9           1HD      ARG   9  -0.457  -2.476 -10.685
   63    HE   ARG   9           HE       ARG   9   1.734  -2.204 -11.476
   64   HH11  ARG   9          1HH2      ARG   9   1.243  -5.292  -9.995
   65   HH12  ARG   9          2HH2      ARG   9   2.736  -5.957 -10.569
   66   HH21  ARG   9          1HH1      ARG   9   3.692  -3.069 -12.232
   67   HH22  ARG   9          2HH1      ARG   9   4.122  -4.699 -11.835
   68    H    CYS  10           H        CYS  10   0.300  -3.219  -6.258
   69    HA   CYS  10           HA       CYS  10   2.849  -3.545  -4.805
   70    HB2  CYS  10           2HB      CYS  10   0.063  -4.530  -4.367
   71    HB3  CYS  10           1HB      CYS  10   1.405  -5.498  -3.760
   72    H    ALA  11           H        ALA  11   2.850  -6.263  -4.436
   73    HA   ALA  11           HA       ALA  11   3.773  -7.166  -7.032
   74    HB1  ALA  11           1HB      ALA  11   4.361  -7.777  -4.324
   75    HB2  ALA  11           2HB      ALA  11   5.151  -8.402  -5.772
   76    HB3  ALA  11           3HB      ALA  11   3.776  -9.261  -5.075
   77    H    THR  12           H        THR  12   3.091  -9.170  -8.007
   78    HA   THR  12           HA       THR  12   0.307  -9.396  -8.310
   79    HB   THR  12           HB       THR  12   2.331 -11.559  -8.910
   80    HG1  THR  12           1HG      THR  12   2.630  -9.234  -9.701
   81   HG21  THR  12          3HG2      THR  12  -0.234 -10.798 -10.323
   82   HG22  THR  12          1HG2      THR  12  -0.132 -12.060  -9.096
   83   HG23  THR  12          2HG2      THR  12   0.761 -12.227 -10.608
   84    H    ARG  13           H        ARG  13   2.595 -11.305  -6.405
   85    HA   ARG  13           HA       ARG  13   0.844 -13.294  -5.503
   86    HB2  ARG  13           2HB      ARG  13   3.184 -12.042  -4.037
   87    HB3  ARG  13           1HB      ARG  13   2.428 -13.584  -3.640
   88    HG2  ARG  13           2HG      ARG  13   3.574 -13.018  -6.376
   89    HG3  ARG  13           1HG      ARG  13   4.549 -13.701  -5.077
   90    HD2  ARG  13           2HD      ARG  13   2.806 -15.515  -4.845
   91    HD3  ARG  13           1HD      ARG  13   2.050 -14.883  -6.299
   92    HE   ARG  13           HE       ARG  13   4.822 -15.923  -6.247
   93   HH11  ARG  13          1HH2      ARG  13   1.714 -15.477  -7.720
   94   HH12  ARG  13          2HH2      ARG  13   2.122 -16.346  -9.155
   95   HH21  ARG  13          1HH1      ARG  13   5.354 -17.065  -8.134
   96   HH22  ARG  13          2HH1      ARG  13   4.178 -17.245  -9.392
   97    H    GLU  14           H        GLU  14   1.285  -9.979  -4.476
   98    HA   GLU  14           HA       GLU  14  -0.128 -10.182  -2.000
   99    HB2  GLU  14           2HB      GLU  14  -0.080  -7.634  -3.550
  100    HB3  GLU  14           1HB      GLU  14   0.170  -7.916  -1.828
  101    HG2  GLU  14           2HG      GLU  14   2.292  -9.239  -2.691
  102    HG3  GLU  14           1HG      GLU  14   2.102  -8.171  -4.072
  103    H    SER  15           H        SER  15  -2.165  -8.787  -1.676
  104    HA   SER  15           HA       SER  15  -4.052  -9.187  -3.915
  105    HB2  SER  15           2HB      SER  15  -5.746  -9.778  -2.079
  106    HB3  SER  15           1HB      SER  15  -4.554 -10.971  -2.525
  107    HG   SER  15           HG       SER  15  -3.278 -10.023  -0.745
  108    H    LEU  16           H        LEU  16  -5.224  -7.458  -4.353
  109    HA   LEU  16           HA       LEU  16  -4.931  -5.065  -2.738
  110    HB2  LEU  16           2HB      LEU  16  -5.417  -5.573  -5.442
  111    HB3  LEU  16           1HB      LEU  16  -6.925  -4.881  -4.846
  112    HG   LEU  16           HG       LEU  16  -5.399  -3.105  -5.608
  113   HD11  LEU  16          1HD1      LEU  16  -6.511  -3.350  -2.949
  114   HD12  LEU  16          2HD1      LEU  16  -6.414  -1.925  -3.980
  115   HD13  LEU  16          3HD1      LEU  16  -5.071  -2.336  -2.913
  116   HD21  LEU  16          3HD2      LEU  16  -3.441  -4.757  -4.439
  117   HD22  LEU  16          1HD2      LEU  16  -3.475  -3.302  -3.441
  118   HD23  LEU  16          2HD2      LEU  16  -3.183  -3.176  -5.177
  119    H    SER  17           H        SER  17  -6.245  -4.439  -1.165
  120    HA   SER  17           HA       SER  17  -8.846  -5.790  -0.879
  121    HB2  SER  17           2HB      SER  17  -8.741  -5.216   1.449
  122    HB3  SER  17           1HB      SER  17  -7.168  -5.868   1.006
  123    HG   SER  17           HG       SER  17  -7.837  -3.411   1.915
  124    H    GLY  18           H        GLY  18  -7.340  -2.573  -0.738
  125    HA2  GLY  18           2HA      GLY  18  -9.574  -1.301  -1.976
  126    HA3  GLY  18           1HA      GLY  18  -9.568  -1.008  -0.240
  127    H    VAL  19           H        VAL  19  -9.359   1.225  -1.503
  128    HA   VAL  19           HA       VAL  19  -6.532   1.846  -2.030
  129    HB   VAL  19           HB       VAL  19  -7.757   2.862  -3.708
  130   HG11  VAL  19          1HG1      VAL  19  -9.909   2.910  -1.636
  131   HG12  VAL  19          2HG1      VAL  19  -9.981   2.380  -3.318
  132   HG13  VAL  19          3HG1      VAL  19  -9.997   4.102  -2.934
  133   HG21  VAL  19          3HG2      VAL  19  -8.182   5.033  -1.664
  134   HG22  VAL  19          1HG2      VAL  19  -7.668   5.181  -3.346
  135   HG23  VAL  19          2HG2      VAL  19  -6.550   4.558  -2.132
  136    H    CYS  20           H        CYS  20  -5.341   2.496  -0.363
  137    HA   CYS  20           HA       CYS  20  -6.490   3.436   2.101
  138    HB2  CYS  20           2HB      CYS  20  -3.687   3.115   1.072
  139    HB3  CYS  20           1HB      CYS  20  -4.011   3.852   2.643
  140    H    GLU  21           H        GLU  21  -4.808   5.438   2.922
  141    HA   GLU  21           HA       GLU  21  -4.762   7.595   0.987
  142    HB2  GLU  21           2HB      GLU  21  -7.133   7.587   1.717
  143    HB3  GLU  21           1HB      GLU  21  -6.598   7.790   3.386
  144    HG2  GLU  21           2HG      GLU  21  -5.490   9.903   2.786
  145    HG3  GLU  21           1HG      GLU  21  -6.000   9.701   1.111
  146    H    ILE  22           H        ILE  22  -2.719   8.212   1.385
  147    HA   ILE  22           HA       ILE  22  -1.997   8.812   4.195
  148    HB   ILE  22           HB       ILE  22   0.021   8.011   2.119
  149   HG12  ILE  22          2HG1      ILE  22  -1.760   6.239   2.304
  150   HG13  ILE  22          1HG1      ILE  22  -0.166   5.698   2.836
  151   HG21  ILE  22          1HG2      ILE  22   1.304   7.380   4.119
  152   HG22  ILE  22          2HG2      ILE  22  -0.062   7.826   5.140
  153   HG23  ILE  22          3HG2      ILE  22   0.790   9.064   4.219
  154   HD11  ILE  22          3HD1      ILE  22  -2.380   6.691   4.645
  155   HD12  ILE  22          1HD1      ILE  22  -0.789   6.153   5.172
  156   HD13  ILE  22          2HD1      ILE  22  -1.908   5.008   4.431
  157    H    SER  23           H        SER  23  -1.288  10.822   4.587
  158    HA   SER  23           HA       SER  23  -0.769  13.033   4.230
  159    HB2  SER  23           2HB      SER  23   0.861  13.368   2.244
  160    HB3  SER  23           1HB      SER  23   1.385  12.366   3.593
  161    HG   SER  23           HG       SER  23   1.113  11.704   1.028
  162    H    GLY  24           H        GLY  24  -3.221  12.002   3.055
  163    HA2  GLY  24           2HA      GLY  24  -4.941  13.003   1.856
  164    HA3  GLY  24           1HA      GLY  24  -3.798  14.220   1.296
  165    H    ARG  25           H        ARG  25  -2.093  11.661   0.599
  166    HA   ARG  25           HA       ARG  25  -3.063  11.520  -2.146
  167    HB2  ARG  25           2HB      ARG  25  -0.666  11.915  -1.746
  168    HB3  ARG  25           1HB      ARG  25  -0.568  10.382  -0.894
  169    HG2  ARG  25           2HG      ARG  25   0.078   9.674  -2.999
  170    HG3  ARG  25           1HG      ARG  25  -1.664   9.472  -3.157
  171    HD2  ARG  25           2HD      ARG  25  -1.143  10.703  -5.071
  172    HD3  ARG  25           1HD      ARG  25  -1.634  11.961  -3.939
  173    HE   ARG  25           HE       ARG  25   0.626  12.633  -3.759
  174   HH11  ARG  25          1HH2      ARG  25   0.171   9.835  -5.745
  175   HH12  ARG  25          2HH2      ARG  25   1.751   9.910  -6.451
  176   HH21  ARG  25          1HH1      ARG  25   2.700  12.735  -4.680
  177   HH22  ARG  25          2HH1      ARG  25   3.182  11.551  -5.848
  178    H    LEU  26           H        LEU  26  -3.776   9.683  -3.151
  179    HA   LEU  26           HA       LEU  26  -4.969   7.686  -1.498
  180    HB2  LEU  26           2HB      LEU  26  -4.645   7.965  -4.488
  181    HB3  LEU  26           1HB      LEU  26  -5.478   6.600  -3.742
  182    HG   LEU  26           HG       LEU  26  -6.204   9.492  -3.207
  183   HD11  LEU  26          1HD1      LEU  26  -6.647   7.973  -5.569
  184   HD12  LEU  26          2HD1      LEU  26  -7.350   9.533  -5.145
  185   HD13  LEU  26          3HD1      LEU  26  -8.185   8.043  -4.711
  186   HD21  LEU  26          3HD2      LEU  26  -7.406   8.529  -1.555
  187   HD22  LEU  26          1HD2      LEU  26  -6.989   6.913  -2.120
  188   HD23  LEU  26          2HD2      LEU  26  -8.377   7.756  -2.808
  189    H    TYR  27           H        TYR  27  -4.271   5.722  -0.927
  190    HA   TYR  27           HA       TYR  27  -1.734   4.744  -2.090
  191    HB2  TYR  27           2HB      TYR  27  -2.617   4.960   0.732
  192    HB3  TYR  27           1HB      TYR  27  -1.666   3.558   0.258
  193    HD1  TYR  27           2HD      TYR  27  -1.668   7.234  -0.472
  194    HD2  TYR  27           1HD      TYR  27   0.620   3.748   0.550
  195    HE1  TYR  27           2HE      TYR  27   0.406   8.590  -0.428
  196    HE2  TYR  27           1HE      TYR  27   2.689   5.114   0.587
  197    HH   TYR  27           HH       TYR  27   3.492   7.227   0.601
  198    H    ARG  28           H        ARG  28  -1.525   2.504  -2.394
  199    HA   ARG  28           HA       ARG  28  -4.101   1.124  -2.695
  200    HB2  ARG  28           2HB      ARG  28  -1.320   0.413  -3.678
  201    HB3  ARG  28           1HB      ARG  28  -2.788  -0.496  -4.037
  202    HG2  ARG  28           2HG      ARG  28  -2.573   2.446  -4.660
  203    HG3  ARG  28           1HG      ARG  28  -2.009   1.222  -5.798
  204    HD2  ARG  28           2HD      ARG  28  -4.278   0.159  -5.681
  205    HD3  ARG  28           1HD      ARG  28  -4.815   1.506  -4.686
  206    HE   ARG  28           HE       ARG  28  -4.105   1.638  -7.535
  207   HH11  ARG  28          1HH2      ARG  28  -5.206   3.127  -4.610
  208   HH12  ARG  28          2HH2      ARG  28  -5.833   4.533  -5.402
  209   HH21  ARG  28          1HH1      ARG  28  -4.924   3.479  -8.576
  210   HH22  ARG  28          2HH1      ARG  28  -5.672   4.734  -7.647
  211    H    LEU  29           H        LEU  29  -4.684  -0.621  -1.529
  212    HA   LEU  29           HA       LEU  29  -2.843  -1.470   0.605
  213    HB2  LEU  29           2HB      LEU  29  -4.973  -0.622   1.410
  214    HB3  LEU  29           1HB      LEU  29  -5.850  -1.721   0.350
  215    HG   LEU  29           HG       LEU  29  -4.947  -3.659   1.542
  216   HD11  LEU  29          1HD1      LEU  29  -3.227  -1.537   2.745
  217   HD12  LEU  29          2HD1      LEU  29  -2.839  -3.211   2.347
  218   HD13  LEU  29          3HD1      LEU  29  -3.739  -2.842   3.816
  219   HD21  LEU  29          3HD2      LEU  29  -6.863  -1.977   2.487
  220   HD22  LEU  29          1HD2      LEU  29  -5.740  -1.957   3.847
  221   HD23  LEU  29          2HD2      LEU  29  -6.420  -3.485   3.286
  222    H    CYS  30           H        CYS  30  -1.711  -3.225   0.094
  223    HA   CYS  30           HA       CYS  30  -3.100  -5.400  -1.334
  224    HB2  CYS  30           2HB      CYS  30  -0.868  -6.089  -2.146
  225    HB3  CYS  30           1HB      CYS  30  -1.337  -4.499  -2.713
  226    H    CYS  31           H        CYS  31  -2.958  -7.502  -0.511
  227    HA   CYS  31           HA       CYS  31  -1.560  -7.723   2.082
  228    HB2  CYS  31           2HB      CYS  31  -4.042  -9.202   1.230
  229    HB3  CYS  31           1HB      CYS  31  -3.300  -9.212   2.811
  230    H    ARG  32           H        ARG  32  -0.278  -9.483   2.415
  231    HA   ARG  32           HA       ARG  32  -0.271 -11.644   0.438
  232    HB2  ARG  32           2HB      ARG  32   2.105 -11.466   0.030
  233    HB3  ARG  32           1HB      ARG  32   1.333  -9.931  -0.373
  234    HG2  ARG  32           2HG      ARG  32   1.884  -9.428   2.199
  235    HG3  ARG  32           1HG      ARG  32   3.160 -10.604   1.888
  236    HD2  ARG  32           2HD      ARG  32   2.644  -8.241   0.088
  237    HD3  ARG  32           1HD      ARG  32   3.769  -8.174   1.441
  238    HE   ARG  32           HE       ARG  32   4.354 -10.412  -0.219
  239   HH11  ARG  32          1HH2      ARG  32   4.537  -6.959  -0.057
  240   HH12  ARG  32          2HH2      ARG  32   5.918  -6.845  -1.095
  241   HH21  ARG  32          1HH1      ARG  32   6.165 -10.270  -1.581
  242   HH22  ARG  32          2HH1      ARG  32   6.840  -8.720  -1.958
  Start of MODEL   19
    1    H1   ALA   1           1HT      ALA   1  -2.326 -14.250   5.359
    2    H2   ALA   1           2HT      ALA   1  -3.380 -12.938   5.590
    3    H3   ALA   1           3HT      ALA   1  -2.138 -13.240   6.709
    4    HA   ALA   1           HA       ALA   1  -0.542 -12.904   4.776
    5    HB1  ALA   1           2HB      ALA   1  -2.068 -12.970   2.937
    6    HB2  ALA   1           3HB      ALA   1  -1.572 -11.285   3.089
    7    HB3  ALA   1           1HB      ALA   1  -3.144 -11.799   3.700
    8    H    THR   2           H        THR   2  -0.088 -10.398   4.216
    9    HA   THR   2           HA       THR   2  -0.650  -8.886   6.694
   10    HB   THR   2           HB       THR   2   1.834  -8.793   4.962
   11    HG1  THR   2           1HG      THR   2   1.359 -10.655   6.451
   12   HG21  THR   2          3HG2      THR   2   1.466  -7.563   7.687
   13   HG22  THR   2          1HG2      THR   2   1.038  -6.677   6.223
   14   HG23  THR   2          2HG2      THR   2   2.700  -7.210   6.477
   15    H    CYS   3           H        CYS   3  -2.081  -7.392   6.234
   16    HA   CYS   3           HA       CYS   3  -2.221  -6.155   3.611
   17    HB2  CYS   3           2HB      CYS   3  -3.857  -5.828   6.134
   18    HB3  CYS   3           1HB      CYS   3  -4.159  -4.942   4.645
   19    H    TYR   4           H        TYR   4  -1.542  -4.146   3.095
   20    HA   TYR   4           HA       TYR   4  -1.048  -2.105   5.051
   21    HB2  TYR   4           2HB      TYR   4   1.385  -1.920   4.657
   22    HB3  TYR   4           1HB      TYR   4   0.958  -3.446   5.432
   23    HD1  TYR   4           1HD      TYR   4   1.892  -1.858   2.211
   24    HD2  TYR   4           2HD      TYR   4   1.258  -5.550   4.314
   25    HE1  TYR   4           1HE      TYR   4   2.932  -3.106   0.337
   26    HE2  TYR   4           2HE      TYR   4   2.298  -6.797   2.440
   27    HH   TYR   4           HH       TYR   4   3.941  -5.167  -0.162
   28    H    CYS   5           H        CYS   5  -0.483  -0.068   4.086
   29    HA   CYS   5           HA       CYS   5  -1.325   0.085   1.293
   30    HB2  CYS   5           2HB      CYS   5  -0.591   2.464   2.966
   31    HB3  CYS   5           1HB      CYS   5  -1.751   2.330   1.674
   32    H    ARG   6           H        ARG   6  -0.088   1.018  -0.343
   33    HA   ARG   6           HA       ARG   6   2.722   1.637   0.277
   34    HB2  ARG   6           2HB      ARG   6   3.490   0.283  -1.616
   35    HB3  ARG   6           1HB      ARG   6   2.636  -0.725  -0.446
   36    HG2  ARG   6           2HG      ARG   6   0.884  -1.115  -1.849
   37    HG3  ARG   6           1HG      ARG   6   0.975   0.479  -2.592
   38    HD2  ARG   6           2HD      ARG   6   1.643  -1.409  -4.116
   39    HD3  ARG   6           1HD      ARG   6   2.867  -0.160  -3.929
   40    HE   ARG   6           HE       ARG   6   3.052  -2.513  -2.183
   41   HH11  ARG   6          1HH2      ARG   6   4.128  -0.704  -4.928
   42   HH12  ARG   6          2HH2      ARG   6   5.651  -1.523  -5.045
   43   HH21  ARG   6          1HH1      ARG   6   5.044  -3.593  -2.329
   44   HH22  ARG   6          2HH1      ARG   6   6.169  -3.158  -3.571
   45    H    THR   7           H        THR   7   3.789   2.899  -1.373
   46    HA   THR   7           HA       THR   7   1.973   4.764  -2.655
   47    HB   THR   7           HB       THR   7   4.113   5.423  -1.467
   48    HG1  THR   7           1HG      THR   7   4.707   6.824  -3.350
   49   HG21  THR   7          3HG2      THR   7   5.690   4.932  -3.897
   50   HG22  THR   7          1HG2      THR   7   5.231   3.461  -3.038
   51   HG23  THR   7          2HG2      THR   7   6.137   4.725  -2.204
   52    H    GLY   8           H        GLY   8   1.129   2.943  -4.060
   53    HA2  GLY   8           2HA      GLY   8   1.241   3.093  -6.614
   54    HA3  GLY   8           1HA      GLY   8   2.872   2.465  -6.398
   55    H    ARG   9           H        ARG   9   1.587   0.886  -7.954
   56    HA   ARG   9           HA       ARG   9  -0.223  -0.983  -6.871
   57    HB2  ARG   9           2HB      ARG   9   0.161  -0.641  -9.291
   58    HB3  ARG   9           1HB      ARG   9   1.751  -1.389  -9.118
   59    HG2  ARG   9           2HG      ARG   9   0.773  -3.464  -8.387
   60    HG3  ARG   9           1HG      ARG   9  -0.830  -2.731  -8.305
   61    HD2  ARG   9           2HD      ARG   9  -0.669  -3.998 -10.365
   62    HD3  ARG   9           1HD      ARG   9  -0.702  -2.279 -10.747
   63    HE   ARG   9           HE       ARG   9   1.985  -3.206 -10.489
   64   HH11  ARG   9          1HH2      ARG   9  -0.792  -3.236 -12.562
   65   HH12  ARG   9          2HH2      ARG   9   0.129  -3.419 -14.018
   66   HH21  ARG   9          1HH1      ARG   9   3.192  -3.448 -12.397
   67   HH22  ARG   9          2HH1      ARG   9   2.382  -3.539 -13.923
   68    H    CYS  10           H        CYS  10   0.169  -3.215  -6.330
   69    HA   CYS  10           HA       CYS  10   2.744  -3.567  -4.936
   70    HB2  CYS  10           2HB      CYS  10  -0.037  -4.547  -4.442
   71    HB3  CYS  10           1HB      CYS  10   1.314  -5.533  -3.888
   72    H    ALA  11           H        ALA  11   2.839  -6.248  -4.620
   73    HA   ALA  11           HA       ALA  11   3.612  -7.119  -7.279
   74    HB1  ALA  11           1HB      ALA  11   3.794  -9.132  -5.184
   75    HB2  ALA  11           2HB      ALA  11   4.561  -7.613  -4.716
   76    HB3  ALA  11           3HB      ALA  11   5.066  -8.439  -6.190
   77    H    THR  12           H        THR  12   3.038  -9.310  -8.042
   78    HA   THR  12           HA       THR  12   0.253  -9.604  -8.301
   79    HB   THR  12           HB       THR  12   2.466 -11.603  -8.813
   80    HG1  THR  12           1HG      THR  12   1.015 -10.072 -10.680
   81   HG21  THR  12          3HG2      THR  12   0.407 -12.814  -8.644
   82   HG22  THR  12          1HG2      THR  12   0.720 -12.593 -10.365
   83   HG23  THR  12          2HG2      THR  12  -0.466 -11.576  -9.547
   84    H    ARG  13           H        ARG  13   2.605 -11.298  -6.274
   85    HA   ARG  13           HA       ARG  13   0.908 -13.245  -5.190
   86    HB2  ARG  13           2HB      ARG  13   3.213 -11.827  -3.827
   87    HB3  ARG  13           1HB      ARG  13   2.534 -13.388  -3.371
   88    HG2  ARG  13           2HG      ARG  13   3.657 -12.864  -6.128
   89    HG3  ARG  13           1HG      ARG  13   4.658 -13.454  -4.804
   90    HD2  ARG  13           2HD      ARG  13   3.101 -15.381  -4.532
   91    HD3  ARG  13           1HD      ARG  13   2.192 -14.813  -5.928
   92    HE   ARG  13           HE       ARG  13   4.894 -15.961  -5.975
   93   HH11  ARG  13          1HH2      ARG  13   2.177 -14.547  -7.594
   94   HH12  ARG  13          2HH2      ARG  13   2.664 -15.085  -9.167
   95   HH21  ARG  13          1HH1      ARG  13   5.534 -16.663  -8.034
   96   HH22  ARG  13          2HH1      ARG  13   4.564 -16.281  -9.416
   97    H    GLU  14           H        GLU  14   1.270  -9.841  -4.479
   98    HA   GLU  14           HA       GLU  14  -0.099  -9.904  -1.964
   99    HB2  GLU  14           2HB      GLU  14  -0.071  -7.427  -3.625
  100    HB3  GLU  14           1HB      GLU  14   0.240  -7.640  -1.901
  101    HG2  GLU  14           2HG      GLU  14   2.320  -9.029  -2.841
  102    HG3  GLU  14           1HG      GLU  14   2.099  -7.932  -4.200
  103    H    SER  15           H        SER  15  -2.163  -8.698  -1.609
  104    HA   SER  15           HA       SER  15  -4.044  -9.070  -3.859
  105    HB2  SER  15           2HB      SER  15  -5.699  -9.693  -1.979
  106    HB3  SER  15           1HB      SER  15  -4.548 -10.884  -2.533
  107    HG   SER  15           HG       SER  15  -4.716 -10.589  -0.194
  108    H    LEU  16           H        LEU  16  -5.175  -7.353  -4.301
  109    HA   LEU  16           HA       LEU  16  -4.987  -4.977  -2.691
  110    HB2  LEU  16           2HB      LEU  16  -5.471  -5.473  -5.364
  111    HB3  LEU  16           1HB      LEU  16  -7.045  -4.947  -4.768
  112    HG   LEU  16           HG       LEU  16  -5.732  -3.010  -5.504
  113   HD11  LEU  16          1HD1      LEU  16  -5.471  -2.522  -2.641
  114   HD12  LEU  16          2HD1      LEU  16  -6.998  -3.312  -3.036
  115   HD13  LEU  16          3HD1      LEU  16  -6.569  -1.783  -3.804
  116   HD21  LEU  16          3HD2      LEU  16  -3.513  -2.870  -5.126
  117   HD22  LEU  16          1HD2      LEU  16  -3.591  -4.460  -4.369
  118   HD23  LEU  16          2HD2      LEU  16  -3.758  -3.006  -3.386
  119    H    SER  17           H        SER  17  -6.333  -4.253  -1.183
  120    HA   SER  17           HA       SER  17  -8.904  -5.669  -0.821
  121    HB2  SER  17           2HB      SER  17  -8.712  -5.231   1.532
  122    HB3  SER  17           1HB      SER  17  -7.183  -5.915   0.994
  123    HG   SER  17           HG       SER  17  -7.018  -4.003   2.332
  124    H    GLY  18           H        GLY  18  -7.377  -2.619  -1.350
  125    HA2  GLY  18           2HA      GLY  18  -9.608  -1.218  -2.138
  126    HA3  GLY  18           1HA      GLY  18  -9.514  -0.958  -0.397
  127    H    VAL  19           H        VAL  19  -9.302   1.294  -1.627
  128    HA   VAL  19           HA       VAL  19  -6.483   1.862  -2.255
  129    HB   VAL  19           HB       VAL  19  -8.076   2.771  -3.833
  130   HG11  VAL  19          1HG1      VAL  19  -9.722   3.008  -1.560
  131   HG12  VAL  19          2HG1      VAL  19 -10.130   3.462  -3.215
  132   HG13  VAL  19          3HG1      VAL  19  -9.448   4.659  -2.114
  133   HG21  VAL  19          3HG2      VAL  19  -6.148   4.243  -2.604
  134   HG22  VAL  19          1HG2      VAL  19  -7.561   5.247  -2.280
  135   HG23  VAL  19          2HG2      VAL  19  -7.125   4.848  -3.943
  136    H    CYS  20           H        CYS  20  -5.235   2.416  -0.602
  137    HA   CYS  20           HA       CYS  20  -6.233   3.303   1.937
  138    HB2  CYS  20           2HB      CYS  20  -3.578   2.794   0.696
  139    HB3  CYS  20           1HB      CYS  20  -3.639   3.772   2.164
  140    H    GLU  21           H        GLU  21  -5.055   5.289   2.938
  141    HA   GLU  21           HA       GLU  21  -4.856   7.524   1.044
  142    HB2  GLU  21           2HB      GLU  21  -6.302   8.880   2.659
  143    HB3  GLU  21           1HB      GLU  21  -7.147   7.693   1.664
  144    HG2  GLU  21           2HG      GLU  21  -7.000   6.064   3.550
  145    HG3  GLU  21           1HG      GLU  21  -6.274   7.326   4.544
  146    H    ILE  22           H        ILE  22  -2.830   8.175   1.424
  147    HA   ILE  22           HA       ILE  22  -2.039   8.646   4.234
  148    HB   ILE  22           HB       ILE  22  -0.314   7.602   1.978
  149   HG12  ILE  22          2HG1      ILE  22  -0.844   6.269   4.633
  150   HG13  ILE  22          1HG1      ILE  22  -1.979   6.065   3.298
  151   HG21  ILE  22          1HG2      ILE  22   1.258   7.390   4.109
  152   HG22  ILE  22          2HG2      ILE  22   0.273   8.732   4.690
  153   HG23  ILE  22          3HG2      ILE  22   1.186   8.893   3.190
  154   HD11  ILE  22          3HD1      ILE  22   0.352   4.593   3.714
  155   HD12  ILE  22          1HD1      ILE  22   0.777   5.721   2.426
  156   HD13  ILE  22          2HD1      ILE  22  -0.604   4.638   2.232
  157    H    SER  23           H        SER  23  -1.243  10.628   4.675
  158    HA   SER  23           HA       SER  23  -0.678  12.838   4.373
  159    HB2  SER  23           2HB      SER  23   0.766  13.150   2.176
  160    HB3  SER  23           1HB      SER  23   1.417  12.305   3.576
  161    HG   SER  23           HG       SER  23   0.453  11.294   1.143
  162    H    GLY  24           H        GLY  24  -3.168  11.703   3.110
  163    HA2  GLY  24           2HA      GLY  24  -4.956  12.894   2.151
  164    HA3  GLY  24           1HA      GLY  24  -3.805  14.063   1.507
  165    H    ARG  25           H        ARG  25  -2.165  11.636   0.605
  166    HA   ARG  25           HA       ARG  25  -3.407  11.429  -2.017
  167    HB2  ARG  25           2HB      ARG  25  -1.081  11.834  -2.124
  168    HB3  ARG  25           1HB      ARG  25  -0.729  10.615  -0.903
  169    HG2  ARG  25           2HG      ARG  25  -1.421   8.833  -2.429
  170    HG3  ARG  25           1HG      ARG  25  -1.903  10.024  -3.637
  171    HD2  ARG  25           2HD      ARG  25   0.412  10.796  -3.835
  172    HD3  ARG  25           1HD      ARG  25   0.914   9.676  -2.571
  173    HE   ARG  25           HE       ARG  25   0.813   7.943  -4.127
  174   HH11  ARG  25          1HH2      ARG  25  -0.730  10.804  -5.311
  175   HH12  ARG  25          2HH2      ARG  25  -0.904  10.207  -6.928
  176   HH21  ARG  25          1HH1      ARG  25   0.589   7.152  -6.243
  177   HH22  ARG  25          2HH1      ARG  25  -0.157   8.139  -7.455
  178    H    LEU  26           H        LEU  26  -4.152   9.569  -2.963
  179    HA   LEU  26           HA       LEU  26  -5.067   7.509  -1.176
  180    HB2  LEU  26           2HB      LEU  26  -5.365   8.116  -4.089
  181    HB3  LEU  26           1HB      LEU  26  -5.720   6.483  -3.526
  182    HG   LEU  26           HG       LEU  26  -7.276   7.425  -1.833
  183   HD11  LEU  26          1HD1      LEU  26  -6.718  10.054  -3.244
  184   HD12  LEU  26          2HD1      LEU  26  -6.159   9.636  -1.624
  185   HD13  LEU  26          3HD1      LEU  26  -7.886   9.798  -1.947
  186   HD21  LEU  26          3HD2      LEU  26  -8.952   8.356  -3.559
  187   HD22  LEU  26          1HD2      LEU  26  -8.327   6.732  -3.850
  188   HD23  LEU  26          2HD2      LEU  26  -7.678   8.103  -4.752
  189    H    TYR  27           H        TYR  27  -4.192   5.589  -0.768
  190    HA   TYR  27           HA       TYR  27  -1.792   4.772  -2.291
  191    HB2  TYR  27           2HB      TYR  27  -2.448   4.668   0.608
  192    HB3  TYR  27           1HB      TYR  27  -1.419   3.418  -0.088
  193    HD1  TYR  27           1HD      TYR  27  -1.795   7.121  -0.603
  194    HD2  TYR  27           2HD      TYR  27   0.824   3.826   0.238
  195    HE1  TYR  27           1HE      TYR  27   0.146   8.666  -0.570
  196    HE2  TYR  27           2HE      TYR  27   2.762   5.370   0.264
  197    HH   TYR  27           HH       TYR  27   2.333   8.858  -0.353
  198    H    ARG  28           H        ARG  28  -1.423   2.402  -2.351
  199    HA   ARG  28           HA       ARG  28  -3.986   1.041  -2.857
  200    HB2  ARG  28           2HB      ARG  28  -1.161   0.691  -3.815
  201    HB3  ARG  28           1HB      ARG  28  -2.247  -0.697  -3.839
  202    HG2  ARG  28           2HG      ARG  28  -2.459   0.360  -5.977
  203    HG3  ARG  28           1HG      ARG  28  -3.913   0.784  -5.072
  204    HD2  ARG  28           2HD      ARG  28  -2.930   2.944  -4.462
  205    HD3  ARG  28           1HD      ARG  28  -1.438   2.520  -5.296
  206    HE   ARG  28           HE       ARG  28  -3.254   2.279  -7.271
  207   HH11  ARG  28          1HH2      ARG  28  -2.712   4.702  -4.860
  208   HH12  ARG  28          2HH2      ARG  28  -3.291   6.005  -5.843
  209   HH21  ARG  28          1HH1      ARG  28  -4.013   3.981  -8.564
  210   HH22  ARG  28          2HH1      ARG  28  -4.028   5.597  -7.942
  211    H    LEU  29           H        LEU  29  -4.702  -0.529  -1.536
  212    HA   LEU  29           HA       LEU  29  -2.946  -1.407   0.654
  213    HB2  LEU  29           2HB      LEU  29  -5.142  -0.473   1.263
  214    HB3  LEU  29           1HB      LEU  29  -5.937  -1.714   0.296
  215    HG   LEU  29           HG       LEU  29  -5.033  -3.482   1.725
  216   HD11  LEU  29          1HD1      LEU  29  -3.462  -1.165   2.825
  217   HD12  LEU  29          2HD1      LEU  29  -2.917  -2.792   2.425
  218   HD13  LEU  29          3HD1      LEU  29  -3.855  -2.514   3.892
  219   HD21  LEU  29          3HD2      LEU  29  -7.069  -1.949   2.410
  220   HD22  LEU  29          1HD2      LEU  29  -5.974  -1.375   3.668
  221   HD23  LEU  29          2HD2      LEU  29  -6.405  -3.082   3.588
  222    H    CYS  30           H        CYS  30  -1.753  -3.107  -0.034
  223    HA   CYS  30           HA       CYS  30  -3.214  -5.315  -1.328
  224    HB2  CYS  30           2HB      CYS  30  -1.066  -6.025  -2.258
  225    HB3  CYS  30           1HB      CYS  30  -1.447  -4.392  -2.747
  226    H    CYS  31           H        CYS  31  -2.907  -7.466  -0.538
  227    HA   CYS  31           HA       CYS  31  -1.522  -7.567   2.076
  228    HB2  CYS  31           2HB      CYS  31  -3.987  -9.107   1.263
  229    HB3  CYS  31           1HB      CYS  31  -3.228  -9.099   2.839
  230    H    ARG  32           H        ARG  32  -0.271  -9.371   2.497
  231    HA   ARG  32           HA       ARG  32  -0.189 -11.550   0.556
  232    HB2  ARG  32           2HB      ARG  32   2.211 -11.312   0.172
  233    HB3  ARG  32           1HB      ARG  32   1.348  -9.871  -0.358
  234    HG2  ARG  32           2HG      ARG  32   1.823  -9.011   2.064
  235    HG3  ARG  32           1HG      ARG  32   3.092 -10.240   2.054
  236    HD2  ARG  32           2HD      ARG  32   2.752  -8.215  -0.155
  237    HD3  ARG  32           1HD      ARG  32   3.790  -7.930   1.240
  238    HE   ARG  32           HE       ARG  32   4.460 -10.422   0.066
  239   HH11  ARG  32          1HH2      ARG  32   4.606  -7.007  -0.505
  240   HH12  ARG  32          2HH2      ARG  32   6.021  -7.095  -1.500
  241   HH21  ARG  32          1HH1      ARG  32   6.318 -10.539  -1.240
  242   HH22  ARG  32          2HH1      ARG  32   6.988  -9.093  -1.916
  Start of MODEL   20
    1    H1   ALA   1           1HT      ALA   1  -2.534 -12.799   6.577
    2    H2   ALA   1           2HT      ALA   1  -2.126 -14.139   5.617
    3    H3   ALA   1           3HT      ALA   1  -3.485 -13.198   5.230
    4    HA   ALA   1           HA       ALA   1  -0.744 -12.816   4.522
    5    HB1  ALA   1           2HB      ALA   1  -2.320 -12.829   2.774
    6    HB2  ALA   1           3HB      ALA   1  -1.982 -11.112   2.991
    7    HB3  ALA   1           1HB      ALA   1  -3.454 -11.814   3.665
    8    H    THR   2           H        THR   2  -0.136 -10.407   4.032
    9    HA   THR   2           HA       THR   2  -0.596  -8.840   6.492
   10    HB   THR   2           HB       THR   2   1.837  -9.004   4.695
   11    HG1  THR   2           1HG      THR   2   2.263  -9.345   7.306
   12   HG21  THR   2          3HG2      THR   2   2.129  -6.843   5.309
   13   HG22  THR   2          1HG2      THR   2   2.562  -7.519   6.880
   14   HG23  THR   2          2HG2      THR   2   0.919  -6.947   6.587
   15    H    CYS   3           H        CYS   3  -2.005  -7.308   6.047
   16    HA   CYS   3           HA       CYS   3  -2.133  -6.062   3.427
   17    HB2  CYS   3           2HB      CYS   3  -3.760  -5.642   5.948
   18    HB3  CYS   3           1HB      CYS   3  -4.052  -4.829   4.415
   19    H    TYR   4           H        TYR   4  -1.463  -4.030   2.930
   20    HA   TYR   4           HA       TYR   4  -0.858  -2.054   4.928
   21    HB2  TYR   4           2HB      TYR   4   1.544  -1.903   4.512
   22    HB3  TYR   4           1HB      TYR   4   1.137  -3.506   5.122
   23    HD1  TYR   4           1HD      TYR   4   2.155  -1.563   2.164
   24    HD2  TYR   4           2HD      TYR   4   1.221  -5.473   3.680
   25    HE1  TYR   4           1HE      TYR   4   3.142  -2.590   0.133
   26    HE2  TYR   4           2HE      TYR   4   2.204  -6.496   1.647
   27    HH   TYR   4           HH       TYR   4   3.134  -4.578  -1.108
   28    H    CYS   5           H        CYS   5  -0.357   0.009   4.005
   29    HA   CYS   5           HA       CYS   5  -1.311   0.258   1.260
   30    HB2  CYS   5           2HB      CYS   5  -0.479   2.546   3.018
   31    HB3  CYS   5           1HB      CYS   5  -1.670   2.502   1.743
   32    H    ARG   6           H        ARG   6  -0.120   1.114  -0.423
   33    HA   ARG   6           HA       ARG   6   2.689   1.819   0.083
   34    HB2  ARG   6           2HB      ARG   6   3.459   0.406  -1.750
   35    HB3  ARG   6           1HB      ARG   6   2.614  -0.582  -0.559
   36    HG2  ARG   6           2HG      ARG   6   0.821  -0.975  -1.935
   37    HG3  ARG   6           1HG      ARG   6   0.989   0.557  -2.792
   38    HD2  ARG   6           2HD      ARG   6   3.020  -1.658  -3.042
   39    HD3  ARG   6           1HD      ARG   6   1.612  -1.543  -4.094
   40    HE   ARG   6           HE       ARG   6   2.565   0.850  -4.512
   41   HH11  ARG   6          1HH2      ARG   6   4.350  -2.067  -3.958
   42   HH12  ARG   6          2HH2      ARG   6   5.727  -1.559  -4.876
   43   HH21  ARG   6          1HH1      ARG   6   4.370   1.516  -5.720
   44   HH22  ARG   6          2HH1      ARG   6   5.739   0.465  -5.874
   45    H    THR   7           H        THR   7   3.648   3.088  -1.603
   46    HA   THR   7           HA       THR   7   1.727   4.809  -2.931
   47    HB   THR   7           HB       THR   7   3.425   6.161  -2.235
   48    HG1  THR   7           1HG      THR   7   3.617   5.509  -4.762
   49   HG21  THR   7          3HG2      THR   7   4.689   4.473  -1.086
   50   HG22  THR   7          1HG2      THR   7   5.818   5.351  -2.116
   51   HG23  THR   7          2HG2      THR   7   5.233   3.763  -2.607
   52    H    GLY   8           H        GLY   8   1.055   2.733  -4.179
   53    HA2  GLY   8           2HA      GLY   8   1.149   2.877  -6.787
   54    HA3  GLY   8           1HA      GLY   8   2.776   2.262  -6.516
   55    H    ARG   9           H        ARG   9   1.770   0.529  -7.945
   56    HA   ARG   9           HA       ARG   9  -0.103  -1.287  -6.758
   57    HB2  ARG   9           2HB      ARG   9   1.502  -1.194  -9.248
   58    HB3  ARG   9           1HB      ARG   9   0.994  -2.788  -8.688
   59    HG2  ARG   9           2HG      ARG   9  -1.359  -1.734  -8.437
   60    HG3  ARG   9           1HG      ARG   9  -0.728  -0.423  -9.436
   61    HD2  ARG   9           2HD      ARG   9  -0.081  -2.091 -11.155
   62    HD3  ARG   9           1HD      ARG   9  -0.791  -3.354 -10.154
   63    HE   ARG   9           HE       ARG   9  -2.235  -1.386 -11.740
   64   HH11  ARG   9          1HH2      ARG   9  -2.279  -3.701  -9.169
   65   HH12  ARG   9          2HH2      ARG   9  -3.992  -3.945  -9.233
   66   HH21  ARG   9          1HH1      ARG   9  -4.484  -1.700 -11.830
   67   HH22  ARG   9          2HH1      ARG   9  -5.240  -2.812 -10.738
   68    H    CYS  10           H        CYS  10   0.330  -3.499  -6.199
   69    HA   CYS  10           HA       CYS  10   2.955  -3.772  -4.865
   70    HB2  CYS  10           2HB      CYS  10   0.214  -4.801  -4.274
   71    HB3  CYS  10           1HB      CYS  10   1.609  -5.717  -3.705
   72    H    ALA  11           H        ALA  11   2.926  -6.518  -4.448
   73    HA   ALA  11           HA       ALA  11   3.779  -7.435  -7.066
   74    HB1  ALA  11           1HB      ALA  11   4.542  -7.964  -4.418
   75    HB2  ALA  11           2HB      ALA  11   5.178  -8.721  -5.878
   76    HB3  ALA  11           3HB      ALA  11   3.836  -9.469  -5.012
   77    H    THR  12           H        THR  12   3.143  -9.585  -7.867
   78    HA   THR  12           HA       THR  12   0.361  -9.803  -8.197
   79    HB   THR  12           HB       THR  12   2.416 -11.985  -8.605
   80    HG1  THR  12           1HG      THR  12   1.483 -10.089 -10.481
   81   HG21  THR  12          3HG2      THR  12   0.116 -12.774  -8.727
   82   HG22  THR  12          1HG2      THR  12   0.800 -12.715 -10.352
   83   HG23  THR  12          2HG2      THR  12  -0.310 -11.452  -9.815
   84    H    ARG  13           H        ARG  13   2.597 -11.577  -6.107
   85    HA   ARG  13           HA       ARG  13   0.794 -13.456  -5.080
   86    HB2  ARG  13           2HB      ARG  13   3.198 -12.143  -3.789
   87    HB3  ARG  13           1HB      ARG  13   2.348 -13.533  -3.115
   88    HG2  ARG  13           2HG      ARG  13   3.430 -13.553  -5.934
   89    HG3  ARG  13           1HG      ARG  13   4.430 -14.019  -4.558
   90    HD2  ARG  13           2HD      ARG  13   2.623 -15.669  -3.920
   91    HD3  ARG  13           1HD      ARG  13   1.830 -15.298  -5.446
   92    HE   ARG  13           HE       ARG  13   3.558 -16.415  -6.586
   93   HH11  ARG  13          1HH2      ARG  13   4.097 -16.180  -3.176
   94   HH12  ARG  13          2HH2      ARG  13   5.369 -17.356  -3.156
   95   HH21  ARG  13          1HH1      ARG  13   5.225 -17.957  -6.569
   96   HH22  ARG  13          2HH1      ARG  13   6.007 -18.362  -5.077
   97    H    GLU  14           H        GLU  14   1.268 -10.080  -4.330
   98    HA   GLU  14           HA       GLU  14  -0.190 -10.090  -1.863
   99    HB2  GLU  14           2HB      GLU  14  -0.015  -7.628  -3.529
  100    HB3  GLU  14           1HB      GLU  14   0.225  -7.843  -1.795
  101    HG2  GLU  14           2HG      GLU  14   2.278  -9.327  -2.699
  102    HG3  GLU  14           1HG      GLU  14   2.149  -8.175  -4.026
  103    H    SER  15           H        SER  15  -2.192  -8.674  -1.638
  104    HA   SER  15           HA       SER  15  -4.009  -8.977  -3.940
  105    HB2  SER  15           2HB      SER  15  -5.768  -9.582  -2.137
  106    HB3  SER  15           1HB      SER  15  -4.645 -10.801  -2.705
  107    HG   SER  15           HG       SER  15  -5.018 -10.078  -0.248
  108    H    LEU  16           H        LEU  16  -5.210  -7.250  -4.317
  109    HA   LEU  16           HA       LEU  16  -4.901  -4.913  -2.645
  110    HB2  LEU  16           2HB      LEU  16  -5.620  -5.425  -5.358
  111    HB3  LEU  16           1HB      LEU  16  -6.920  -4.495  -4.615
  112    HG   LEU  16           HG       LEU  16  -5.115  -3.063  -5.612
  113   HD11  LEU  16          1HD1      LEU  16  -4.709  -2.318  -2.857
  114   HD12  LEU  16          2HD1      LEU  16  -6.368  -2.877  -3.073
  115   HD13  LEU  16          3HD1      LEU  16  -5.746  -1.556  -4.064
  116   HD21  LEU  16          3HD2      LEU  16  -3.288  -3.563  -3.357
  117   HD22  LEU  16          1HD2      LEU  16  -2.922  -3.327  -5.067
  118   HD23  LEU  16          2HD2      LEU  16  -3.414  -4.917  -4.482
  119    H    SER  17           H        SER  17  -6.170  -4.306  -1.032
  120    HA   SER  17           HA       SER  17  -8.771  -5.656  -0.723
  121    HB2  SER  17           2HB      SER  17  -8.583  -5.223   1.622
  122    HB3  SER  17           1HB      SER  17  -7.016  -5.825   1.096
  123    HG   SER  17           HG       SER  17  -7.757  -3.346   2.030
  124    H    GLY  18           H        GLY  18  -7.269  -2.583  -1.238
  125    HA2  GLY  18           2HA      GLY  18  -9.516  -1.220  -2.066
  126    HA3  GLY  18           1HA      GLY  18  -9.434  -0.947  -0.328
  127    H    VAL  19           H        VAL  19  -9.242   1.304  -1.570
  128    HA   VAL  19           HA       VAL  19  -6.431   1.893  -2.210
  129    HB   VAL  19           HB       VAL  19  -8.470   2.696  -3.602
  130   HG11  VAL  19          1HG1      VAL  19  -9.594   3.524  -1.414
  131   HG12  VAL  19          2HG1      VAL  19  -9.675   4.573  -2.829
  132   HG13  VAL  19          3HG1      VAL  19  -8.508   4.905  -1.549
  133   HG21  VAL  19          3HG2      VAL  19  -6.269   3.537  -4.065
  134   HG22  VAL  19          1HG2      VAL  19  -6.273   4.521  -2.602
  135   HG23  VAL  19          2HG2      VAL  19  -7.330   4.943  -3.950
  136    H    CYS  20           H        CYS  20  -5.173   2.475  -0.569
  137    HA   CYS  20           HA       CYS  20  -6.183   3.333   1.974
  138    HB2  CYS  20           2HB      CYS  20  -3.514   2.868   0.750
  139    HB3  CYS  20           1HB      CYS  20  -3.592   3.862   2.205
  140    H    GLU  21           H        GLU  21  -5.069   5.339   2.997
  141    HA   GLU  21           HA       GLU  21  -4.897   7.586   1.119
  142    HB2  GLU  21           2HB      GLU  21  -6.839   7.429   3.436
  143    HB3  GLU  21           1HB      GLU  21  -6.437   8.918   2.582
  144    HG2  GLU  21           2HG      GLU  21  -8.355   8.199   1.447
  145    HG3  GLU  21           1HG      GLU  21  -7.056   7.565   0.437
  146    H    ILE  22           H        ILE  22  -2.860   8.200   1.578
  147    HA   ILE  22           HA       ILE  22  -2.202   8.749   4.412
  148    HB   ILE  22           HB       ILE  22  -0.377   7.638   2.269
  149   HG12  ILE  22          2HG1      ILE  22  -1.115   6.397   4.929
  150   HG13  ILE  22          1HG1      ILE  22  -2.075   6.101   3.480
  151   HG21  ILE  22          1HG2      ILE  22   0.998   9.048   3.564
  152   HG22  ILE  22          2HG2      ILE  22   1.165   7.485   4.363
  153   HG23  ILE  22          3HG2      ILE  22   0.100   8.714   5.045
  154   HD11  ILE  22          3HD1      ILE  22   0.834   5.790   3.110
  155   HD12  ILE  22          1HD1      ILE  22  -0.494   4.772   2.550
  156   HD13  ILE  22          2HD1      ILE  22   0.096   4.618   4.205
  157    H    SER  23           H        SER  23  -1.345  10.711   4.844
  158    HA   SER  23           HA       SER  23  -0.690  12.890   4.526
  159    HB2  SER  23           2HB      SER  23   1.117  13.203   3.128
  160    HB3  SER  23           1HB      SER  23   1.133  11.448   3.245
  161    HG   SER  23           HG       SER  23   0.847  12.953   1.088
  162    H    GLY  24           H        GLY  24  -3.253  11.805   3.346
  163    HA2  GLY  24           2HA      GLY  24  -5.066  12.914   2.397
  164    HA3  GLY  24           1HA      GLY  24  -3.983  14.219   1.923
  165    H    ARG  25           H        ARG  25  -2.601  11.343   1.005
  166    HA   ARG  25           HA       ARG  25  -3.629  11.630  -1.742
  167    HB2  ARG  25           2HB      ARG  25  -1.275  12.081  -1.647
  168    HB3  ARG  25           1HB      ARG  25  -0.986  10.616  -0.714
  169    HG2  ARG  25           2HG      ARG  25  -1.714   9.230  -2.595
  170    HG3  ARG  25           1HG      ARG  25  -2.102  10.675  -3.531
  171    HD2  ARG  25           2HD      ARG  25   0.655  10.005  -2.476
  172    HD3  ARG  25           1HD      ARG  25   0.117   9.696  -4.123
  173    HE   ARG  25           HE       ARG  25   0.799  12.278  -2.976
  174   HH11  ARG  25          1HH2      ARG  25  -0.826  10.507  -5.467
  175   HH12  ARG  25          2HH2      ARG  25  -0.819  11.820  -6.595
  176   HH21  ARG  25          1HH1      ARG  25   0.810  14.004  -4.451
  177   HH22  ARG  25          2HH1      ARG  25   0.107  13.800  -6.021
  178    H    LEU  26           H        LEU  26  -4.026   9.748  -2.985
  179    HA   LEU  26           HA       LEU  26  -5.197   7.611  -1.442
  180    HB2  LEU  26           2HB      LEU  26  -4.975   8.238  -4.379
  181    HB3  LEU  26           1HB      LEU  26  -5.580   6.673  -3.831
  182    HG   LEU  26           HG       LEU  26  -7.326   8.520  -4.240
  183   HD11  LEU  26          1HD1      LEU  26  -8.537   7.063  -3.025
  184   HD12  LEU  26          2HD1      LEU  26  -7.994   7.872  -1.555
  185   HD13  LEU  26          3HD1      LEU  26  -7.081   6.508  -2.199
  186   HD21  LEU  26          3HD2      LEU  26  -5.860  10.230  -3.006
  187   HD22  LEU  26          1HD2      LEU  26  -6.395   9.452  -1.517
  188   HD23  LEU  26          2HD2      LEU  26  -7.572  10.217  -2.584
  189    H    TYR  27           H        TYR  27  -4.364   5.677  -0.990
  190    HA   TYR  27           HA       TYR  27  -1.820   4.887  -2.273
  191    HB2  TYR  27           2HB      TYR  27  -2.627   4.900   0.582
  192    HB3  TYR  27           1HB      TYR  27  -1.592   3.601  -0.007
  193    HD1  TYR  27           2HD      TYR  27  -1.902   7.329  -0.304
  194    HD2  TYR  27           1HD      TYR  27   0.697   3.931   0.027
  195    HE1  TYR  27           2HE      TYR  27   0.072   8.831  -0.240
  196    HE2  TYR  27           1HE      TYR  27   2.667   5.437   0.078
  197    HH   TYR  27           HH       TYR  27   2.864   8.167   0.861
  198    H    ARG  28           H        ARG  28  -1.437   2.557  -2.340
  199    HA   ARG  28           HA       ARG  28  -3.965   1.118  -2.823
  200    HB2  ARG  28           2HB      ARG  28  -1.121   0.626  -3.749
  201    HB3  ARG  28           1HB      ARG  28  -2.446  -0.501  -4.041
  202    HG2  ARG  28           2HG      ARG  28  -2.529   0.762  -5.986
  203    HG3  ARG  28           1HG      ARG  28  -3.656   1.659  -4.968
  204    HD2  ARG  28           2HD      ARG  28  -1.801   3.171  -4.293
  205    HD3  ARG  28           1HD      ARG  28  -0.723   2.303  -5.382
  206    HE   ARG  28           HE       ARG  28  -2.937   3.129  -6.882
  207   HH11  ARG  28          1HH2      ARG  28  -0.327   4.479  -5.054
  208   HH12  ARG  28          2HH2      ARG  28  -0.224   5.922  -6.006
  209   HH21  ARG  28          1HH1      ARG  28  -2.810   5.020  -8.134
  210   HH22  ARG  28          2HH1      ARG  28  -1.631   6.229  -7.750
  211    H    LEU  29           H        LEU  29  -4.590  -0.495  -1.530
  212    HA   LEU  29           HA       LEU  29  -2.733  -1.380   0.577
  213    HB2  LEU  29           2HB      LEU  29  -4.841  -0.478   1.390
  214    HB3  LEU  29           1HB      LEU  29  -5.747  -1.587   0.362
  215    HG   LEU  29           HG       LEU  29  -4.872  -3.510   1.584
  216   HD11  LEU  29          1HD1      LEU  29  -3.558  -2.780   3.777
  217   HD12  LEU  29          2HD1      LEU  29  -3.118  -1.389   2.783
  218   HD13  LEU  29          3HD1      LEU  29  -2.704  -3.020   2.254
  219   HD21  LEU  29          3HD2      LEU  29  -5.582  -1.656   3.821
  220   HD22  LEU  29          1HD2      LEU  29  -6.228  -3.250   3.436
  221   HD23  LEU  29          2HD2      LEU  29  -6.755  -1.841   2.516
  222    H    CYS  30           H        CYS  30  -1.613  -3.132  -0.024
  223    HA   CYS  30           HA       CYS  30  -3.079  -5.283  -1.409
  224    HB2  CYS  30           2HB      CYS  30  -0.881  -6.057  -2.205
  225    HB3  CYS  30           1HB      CYS  30  -1.250  -4.428  -2.744
  226    H    CYS  31           H        CYS  31  -2.882  -7.456  -0.637
  227    HA   CYS  31           HA       CYS  31  -1.580  -7.666   2.001
  228    HB2  CYS  31           2HB      CYS  31  -4.091  -9.077   1.114
  229    HB3  CYS  31           1HB      CYS  31  -3.366  -9.118   2.709
  230    H    ARG  32           H        ARG  32  -0.274  -9.386   2.313
  231    HA   ARG  32           HA       ARG  32  -0.289 -11.547   0.306
  232    HB2  ARG  32           2HB      ARG  32   2.149 -11.460   0.129
  233    HB3  ARG  32           1HB      ARG  32   1.422  -9.938  -0.391
  234    HG2  ARG  32           2HG      ARG  32   1.747  -9.314   2.173
  235    HG3  ARG  32           1HG      ARG  32   3.013 -10.537   2.067
  236    HD2  ARG  32           2HD      ARG  32   2.745  -8.266   0.101
  237    HD3  ARG  32           1HD      ARG  32   3.745  -8.162   1.548
  238    HE   ARG  32           HE       ARG  32   4.426 -10.500   0.094
  239   HH11  ARG  32          1HH2      ARG  32   4.633  -7.045  -0.024
  240   HH12  ARG  32          2HH2      ARG  32   6.083  -7.027  -0.971
  241   HH21  ARG  32          1HH1      ARG  32   6.328 -10.481  -1.148
  242   HH22  ARG  32          2HH1      ARG  32   7.043  -8.971  -1.607