*HEADER   TRANSCRIPTION REGULATION                17-FEB-96   1PYC    
*TITLE    CYP1 (HAP1) DNA-BINDING DOMAIN (RESIDUES 60-100), NMR,      
*TITLE   2 15 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYP1;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 56 - 126;                               
*COMPND  5 SYNONYM: HAP1                                              
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;             
*SOURCE  3 ORGANISM_COMMON: BAKER'S YEAST                             
*KEYWDS   TRANSCRIPTION REGULATION, ACTIVATOR, DNA-BINDING,           
*KEYWDS  2 NUCLEAR PROTEIN, ZINC, METAL-BINDING, REPEAT, HEME         
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   J.TIMMERMAN,A.-L.VUIDEPOT,F.BONTEMS,J.-Y.LALLEMAND,         
*AUTHOR  2 M.GERVAIS,E.SHECHTER,B.GUIARD                              
*REVDAT  1   01-AUG-96 1PYC    0                                      

remarks   # restraint file for CYP1 (pdb entry 1PYC)
remarks   # replace the formerly deposed restraint file
assign (resid   60 and name HA   )(resid   60 and name HB   )2.8 1.0 0.0 
assign (resid   60 and name HN   )(resid   60 and name HA   )3.5 1.7 0.0 
assign (resid   60 and name HN   )(resid   60 and name HB   )3.5 1.7 0.0 
assign (resid   62 and name HN   )(resid   62 and name HA   )3.5 1.7 0.0 
assign (resid   62 and name HN   )(resid   62 and name HG   )3.5 1.7 0.0 
assign (resid   63 and name HN   )(resid   63 and name HB*  )5.0 3.2 0.0 
assign (resid   64 and name HA   )(resid   64 and name HB2  )5.0 3.2 0.0 
assign (resid   64 and name HA   )(resid   64 and name HB3  )5.0 3.2 0.0 
assign (resid   64 and name HN   )(resid   64 and name HB2  )4.0 2.2 0.0 
assign (resid   64 and name HN   )(resid   64 and name HB3  )3.5 1.7 0.0 
assign (resid   65 and name HN   )(resid   65 and name HA   )3.5 1.7 0.0 
assign (resid   65 and name HN   )(resid   65 and name HG2* )5.0 3.2 0.0 
assign (resid   66 and name HA   )(resid   66 and name HB   )2.8 1.0 0.0 
assign (resid   66 and name HN   )(resid   66 and name HA   )3.5 1.7 0.0 
assign (resid   66 and name HN   )(resid   66 and name HB   )3.5 1.7 0.0 
assign (resid   66 and name HN   )(resid   66 and name HG13 )3.5 1.7 0.0 
assign (resid   67 and name HA   )(resid   67 and name HB2  )2.8 1.0 0.0 
assign (resid   67 and name HA   )(resid   67 and name HB3  )5.0 3.2 0.0 
assign (resid   67 and name HN   )(resid   67 and name HA   )3.5 1.7 0.0 
assign (resid   67 and name HN   )(resid   67 and name HB3  )3.5 1.7 0.0 
assign (resid   67 and name HN   )(resid   67 and name HB2  )4.0 2.2 0.0 
assign (resid   68 and name HN   )(resid   68 and name HA   )3.5 1.7 0.0 
assign (resid   68 and name HN   )(resid   68 and name HB2  )3.5 1.7 0.0 
assign (resid   68 and name HN   )(resid   68 and name HB3  )3.5 1.7 0.0 
assign (resid   69 and name HA   )(resid   69 and name HB2  )2.5 0.7 0.0 
assign (resid   69 and name HA   )(resid   69 and name HB3  )5.0 3.2 0.0 
assign (resid   69 and name HN   )(resid   69 and name HA   )3.5 1.7 0.0 
assign (resid   69 and name HN   )(resid   69 and name HB*  )5.0 3.2 0.0 
assign (resid   70 and name HN   )(resid   70 and name HA   )3.5 1.7 0.0 
assign (resid   70 and name HN   )(resid   70 and name HG2  )4.0 2.2 0.0 
assign (resid   70 and name HN   )(resid   70 and name HG3  )3.5 1.7 0.0 
assign (resid   70 and name HN   )(resid   70 and name HB2  )3.5 1.7 0.0 
assign (resid   71 and name HN   )(resid   71 and name HA   )3.5 1.7 0.0 
assign (resid   71 and name HA   )(resid   71 and name HB2  )5.0 3.2 0.0 
assign (resid   71 and name HA   )(resid   71 and name HB3  )5.0 3.2 0.0 
assign (resid   71 and name HN   )(resid   71 and name HG*  )5.0 3.2 0.0 
assign (resid   72 and name HA   )(resid   72 and name HB   )2.8 1.0 0.0 
assign (resid   72 and name HN   )(resid   72 and name HG*  )5.0 3.2 0.0 
assign (resid   72 and name HN   )(resid   72 and name HB   )3.5 1.7 0.0 
assign (resid   73 and name HA   )(resid   73 and name HB2  )5.0 3.2 0.0 
assign (resid   73 and name HA   )(resid   73 and name HB3  )2.8 1.0 0.0 
assign (resid   73 and name HN   )(resid   73 and name HA   )3.5 1.7 0.0 
assign (resid   73 and name HN   )(resid   73 and name HB*  )5.0 3.2 0.0 
assign (resid   74 and name HN   )(resid   74 and name HB2  )3.5 1.7 0.0 
assign (resid   74 and name HN   )(resid   74 and name HB3  )3.5 1.7 0.0 
assign (resid   76 and name HN   )(resid   76 and name HA   )2.5 0.7 0.0 
assign (resid   76 and name HN   )(resid   76 and name HD*  )5.0 3.2 0.0 
assign (resid   77 and name HN   )(resid   77 and name HB*  )5.0 3.2 0.0 
assign (resid   77 and name HN   )(resid   77 and name HA   )3.5 1.7 0.0 
assign (resid   77 and name HN   )(resid   77 and name HG   )3.5 1.7 0.0 
assign (resid   78 and name HN   )(resid   78 and name HB2  )3.5 1.7 0.0 
assign (resid   78 and name HA   )(resid   78 and name HB2  )3.5 1.7 0.0 
assign (resid   80 and name HN   )(resid   80 and name HA   )3.5 1.7 0.0 
assign (resid   80 and name HN   )(resid   80 and name HB2  )4.0 2.2 0.0 
assign (resid   80 and name HN   )(resid   80 and name HB3  )3.5 1.7 0.0 
assign (resid   80 and name HA   )(resid   80 and name HD2  )5.0 3.2 0.0 
assign (resid   80 and name HD2  )(resid   80 and name HB2  )5.0 3.2 0.0 
assign (resid   80 and name HD2  )(resid   80 and name HB3  )3.5 1.7 0.0 
assign (resid   81 and name HA   )(resid   81 and name HB2  )5.0 3.2 0.0 
assign (resid   81 and name HA   )(resid   81 and name HB3  )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   81 and name HB3  )3.5 1.7 0.0 
assign (resid   82 and name HA   )(resid   82 and name HB2  )5.0 3.2 0.0 
assign (resid   82 and name HA   )(resid   82 and name HB3  )2.8 1.0 0.0 
assign (resid   82 and name HN   )(resid   82 and name HA   )3.5 1.7 0.0 
assign (resid   82 and name HN   )(resid   82 and name HB2  )3.5 1.7 0.0 
assign (resid   83 and name HA   )(resid   83 and name HB2  )2.5 0.7 0.0 
assign (resid   83 and name HN   )(resid   83 and name HA   )3.5 1.7 0.0 
assign (resid   83 and name HN   )(resid   83 and name HB2  )3.5 1.7 0.0 
assign (resid   83 and name HN   )(resid   83 and name HB3  )3.5 1.7 0.0 
assign (resid   84 and name HA   )(resid   84 and name HB2  )5.0 3.2 0.0 
assign (resid   84 and name HA   )(resid   84 and name HB3  )2.8 1.0 0.0 
assign (resid   84 and name HN   )(resid   84 and name HA   )3.5 1.7 0.0 
assign (resid   84 and name HN   )(resid   84 and name HB2  )3.5 1.7 0.0 
assign (resid   84 and name HN   )(resid   84 and name HB3  )4.0 2.2 0.0 
assign (resid   85 and name HA   )(resid   85 and name HB   )5.0 3.2 0.0 
assign (resid   85 and name HN   )(resid   85 and name HA   )3.5 1.7 0.0 
assign (resid   85 and name HN   )(resid   85 and name HB   )3.5 1.7 0.0 
assign (resid   85 and name HN   )(resid   85 and name HG2* )5.0 3.2 0.0 
assign (resid   86 and name HA   )(resid   86 and name HB2  )2.8 1.0 0.0 
assign (resid   86 and name HA   )(resid   86 and name HB3  )2.8 1.0 0.0 
assign (resid   86 and name HN   )(resid   86 and name HA   )3.5 1.7 0.0 
assign (resid   86 and name HN   )(resid   86 and name HB2  )3.5 1.7 0.0 
assign (resid   86 and name HN   )(resid   86 and name HB3  )3.5 1.7 0.0 
assign (resid   88 and name HN   )(resid   88 and name HA2  )3.5 1.7 0.0 
assign (resid   89 and name HA   )(resid   89 and name HB   )2.5 0.7 0.0 
assign (resid   89 and name HN   )(resid   89 and name HG1* )5.0 3.2 0.0 
assign (resid   89 and name HN   )(resid   89 and name HG2* )5.0 3.2 0.0 
assign (resid   90 and name HN   )(resid   90 and name HA   )3.5 1.7 0.0 
assign (resid   90 and name HN   )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   91 and name HA   )(resid   91 and name HB2  )2.8 1.0 0.0 
assign (resid   91 and name HA   )(resid   91 and name HB3  )2.8 1.0 0.0 
assign (resid   91 and name HN   )(resid   91 and name HB2  )4.0 2.2 0.0 
assign (resid   91 and name HN   )(resid   91 and name HB3  )3.5 1.7 0.0 
assign (resid   91 and name HD2  )(resid   91 and name HB2  )3.5 1.7 0.0 
assign (resid   91 and name HD2  )(resid   91 and name HB3  )5.0 3.2 0.0 
assign (resid   92 and name HN   )(resid   92 and name HG   )3.5 1.7 0.0 
assign (resid   92 and name HN   )(resid   92 and name HB2  )3.5 1.7 0.0 
assign (resid   93 and name HN   )(resid   93 and name HB2  )3.5 1.7 0.0 
assign (resid   93 and name HN   )(resid   93 and name HB3  )3.5 1.7 0.0 
assign (resid   94 and name HA   )(resid   94 and name HB2  )5.0 3.2 0.0 
assign (resid   94 and name HA   )(resid   94 and name HB3  )5.0 3.2 0.0 
assign (resid   94 and name HD2  )(resid   94 and name HB2  )5.0 3.2 0.0 
assign (resid   94 and name HD2  )(resid   94 and name HB3  )5.0 3.2 0.0 
assign (resid   95 and name HA   )(resid   95 and name HB2  )5.0 3.2 0.0 
assign (resid   95 and name HA   )(resid   95 and name HB3  )5.0 3.2 0.0 
assign (resid   95 and name HN   )(resid   95 and name HB3  )3.5 1.7 0.0 
assign (resid   95 and name HN   )(resid   95 and name HD*  )5.0 3.2 0.0 
assign (resid   95 and name HA   )(resid   95 and name HD*  )5.0 3.2 0.0 
assign (resid   95 and name HD*  )(resid   95 and name HB2  )5.0 3.2 0.0 
assign (resid   95 and name HD*  )(resid   95 and name HB3  )5.0 3.2 0.0 
assign (resid   96 and name HA   )(resid   96 and name HB2  )2.8 1.0 0.0 
assign (resid   96 and name HA   )(resid   96 and name HB3  )2.8 1.0 0.0 
assign (resid   96 and name HN   )(resid   96 and name HB3  )3.5 1.7 0.0 
assign (resid   97 and name HN   )(resid   97 and name HA   )3.5 1.7 0.0 
assign (resid   98 and name HE21 )(resid   98 and name HG*  )5.0 3.2 0.0 
assign (resid   98 and name HE22 )(resid   98 and name HG*  )5.0 3.2 0.0 
assign (resid  100 and name HA   )(resid  100 and name HB2  )5.0 3.2 0.0 
assign (resid  100 and name HA   )(resid  100 and name HB3  )5.0 3.2 0.0 
assign (resid   60 and name HA   )(resid   61 and name HD*  )5.0 3.2 0.0 
assign (resid   60 and name HG2* )(resid   61 and name HD2  )5.0 3.2 0.0 
assign (resid   60 and name HG2* )(resid   61 and name HD3  )5.0 3.2 0.0 
assign (resid   62 and name HA   )(resid   63 and name HN   )2.5 0.7 0.0 
assign (resid   62 and name HG   )(resid   63 and name HN   )5.0 3.2 0.0 
assign (resid   62 and name HN   )(resid   63 and name HN   )5.0 3.2 0.0 
assign (resid   62 and name HB*  )(resid   63 and name HN   )5.0 3.2 0.0 
assign (resid   62 and name HD1* )(resid   63 and name HN   )5.0 3.2 0.0 
assign (resid   62 and name HD1* )(resid   96 and name HN   )4.0 2.2 0.0 
assign (resid   62 and name HD2* )(resid   63 and name HN   )5.0 3.2 0.0 
assign (resid   63 and name HA   )(resid   64 and name HN   )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   64 and name HN   )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   67 and name HB3  )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   68 and name HD2  )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   74 and name HB2  )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   74 and name HB3  )5.0 3.2 0.0 
assign (resid   63 and name HB*  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HB2  )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HB3  )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HA   )(resid   65 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HA   )(resid   95 and name HA   )2.8 1.0 0.0 
assign (resid   64 and name HB2  )(resid   95 and name HA   )5.0 3.2 0.0 
assign (resid   64 and name HB2  )(resid   65 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HN   )(resid   67 and name HB3  )5.0 3.2 0.0 
assign (resid   64 and name HN   )(resid   67 and name HN   )5.0 3.2 0.0 
assign (resid   64 and name HN   )(resid   74 and name HB2  )4.0 2.2 0.0 
assign (resid   64 and name HN   )(resid   74 and name HB3  )4.0 2.2 0.0 
assign (resid   64 and name HN   )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HA   )(resid   66 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HA   )(resid   68 and name HB2  )5.0 3.2 0.0 
assign (resid   65 and name HA   )(resid   68 and name HB3  )5.0 3.2 0.0 
assign (resid   65 and name HA   )(resid   68 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HA   )(resid   69 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HN   )(resid   66 and name HN   )3.0 1.2 0.0 
assign (resid   65 and name HN   )(resid   67 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HN   )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HG2* )(resid   94 and name HN   )4.0 2.2 0.0 
assign (resid   65 and name HG2* )(resid   94 and name HB2  )5.0 3.2 0.0 
assign (resid   65 and name HG2* )(resid   94 and name HB3  )5.0 3.2 0.0 
assign (resid   65 and name HG2* )(resid   96 and name HN   )5.0 3.2 0.0 
assign (resid   65 and name HG2* )(resid   96 and name HG2  )5.0 3.2 0.0 
assign (resid   65 and name HG2* )(resid   96 and name HG3  )5.0 3.2 0.0 
assign (resid   66 and name HA   )(resid   67 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HA   )(resid   69 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HA   )(resid   69 and name HB*  )5.0 3.2 0.0 
assign (resid   66 and name HB   )(resid   67 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HG13 )(resid   93 and name HA   )5.0 3.2 0.0 
assign (resid   66 and name HG13 )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HN   )(resid   67 and name HN   )3.0 1.2 0.0 
assign (resid   66 and name HN   )(resid   68 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HN   )(resid   93 and name HA   )5.0 3.2 0.0 
assign (resid   66 and name HN   )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HD1* )(resid   89 and name HB   )5.0 3.2 0.0 
assign (resid   66 and name HD1* )(resid   92 and name HB2  )5.0 3.2 0.0 
assign (resid   66 and name HD1* )(resid   92 and name HB3  )5.0 3.2 0.0 
assign (resid   66 and name HD1* )(resid   93 and name HA   )5.0 3.2 0.0 
assign (resid   66 and name HD1* )(resid   93 and name HB3  )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   67 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   69 and name HN   )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   70 and name HD2  )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   70 and name HD3  )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   70 and name HG2  )5.0 3.2 0.0 
assign (resid   66 and name HG2* )(resid   70 and name HG3  )5.0 3.2 0.0 
assign (resid   67 and name HA   )(resid   68 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HA   )(resid   70 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HA   )(resid   71 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HA   )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HA   )(resid   72 and name HG2* )5.0 3.2 0.0 
assign (resid   67 and name HB2  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HB2  )(resid   72 and name HG*  )5.0 3.2 0.0 
assign (resid   67 and name HB2  )(resid   74 and name HB3  )3.0 1.2 0.0 
assign (resid   67 and name HB2  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HB3  )(resid   68 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HB3  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   67 and name HN   )(resid   68 and name HN   )3.0 1.2 0.0 
assign (resid   68 and name HN   )(resid   64 and name O    )2.2 0.4 0.0 
assign (resid   68 and name N    )(resid   64 and name O    )3.2 1.4 0.0 
assign (resid   68 and name HA   )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   68 and name HB2  )(resid   69 and name HN   )5.0 3.2 0.0 
assign (resid   68 and name HA   )(resid   71 and name HN   )3.5 1.7 0.0 
assign (resid   68 and name HB3  )(resid   69 and name HN   )5.0 3.2 0.0 
assign (resid   69 and name HN   )(resid   70 and name HN   )3.0 1.2 0.0 
assign (resid   69 and name HN   )(resid   71 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HA   )(resid   71 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HB2  )(resid   71 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HB2  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HB3  )(resid   71 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HE   )(resid   66 and name HG2* )5.0 3.2 0.0 
assign (resid   70 and name HG2  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   70 and name HN   )(resid   66 and name O    )2.2 0.4 0.0 
assign (resid   70 and name N    )(resid   66 and name O    )3.2 1.4 0.0 
assign (resid   70 and name HN   )(resid   71 and name HN   )3.0 1.2 0.0 
assign (resid   70 and name HN   )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   71 and name HA   )(resid   72 and name HN   )2.5 0.7 0.0 
assign (resid   71 and name HD3  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   71 and name HG3  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   71 and name HN   )(resid   67 and name O    )2.2 0.4 0.0 
assign (resid   71 and name N    )(resid   67 and name O    )3.2 1.4 0.0 
assign (resid   71 and name HB*  )(resid   72 and name HN   )5.0 3.2 0.0 
assign (resid   72 and name HA   )(resid   73 and name HN   )2.5 0.7 0.0 
assign (resid   72 and name HB   )(resid   73 and name HN   )3.5 1.7 0.0 
assign (resid   72 and name HN   )(resid   73 and name HN   )5.0 3.2 0.0 
assign (resid   72 and name HN   )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   72 and name HG*  )(resid   73 and name HN   )5.0 3.2 0.0 
assign (resid   73 and name HA   )(resid   74 and name HN   )2.5 0.7 0.0 
assign (resid   73 and name HN   )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   73 and name HB*  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   73 and name HD*  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   73 and name HG*  )(resid   74 and name HN   )5.0 3.2 0.0 
assign (resid   74 and name HA   )(resid   75 and name HN   )3.0 1.2 0.0 
assign (resid   75 and name HB2  )(resid   76 and name HN   )5.0 3.2 0.0 
assign (resid   75 and name HB3  )(resid   76 and name HN   )5.0 3.2 0.0 
assign (resid   75 and name HB2  )(resid   77 and name HN   )3.5 1.7 0.0 
assign (resid   75 and name HB3  )(resid   77 and name HG   )5.0 3.2 0.0 
assign (resid   75 and name HB3  )(resid   77 and name HB*  )5.0 3.2 0.0 
assign (resid   75 and name HN   )(resid   76 and name HN   )3.0 1.2 0.0 
assign (resid   75 and name HN   )(resid   77 and name HN   )5.0 3.2 0.0 
assign (resid   75 and name HN   )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   76 and name HA   )(resid   77 and name HN   )5.0 3.2 0.0 
assign (resid   76 and name HN   )(resid   77 and name HN   )3.0 1.2 0.0 
assign (resid   76 and name HN   )(resid   81 and name HB2  )5.0 3.2 0.0 
assign (resid   76 and name HN   )(resid   81 and name HB3  )5.0 3.2 0.0 
assign (resid   76 and name HN   )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HG   )(resid   81 and name HA   )5.0 3.2 0.0 
assign (resid   77 and name HG   )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HG   )(resid   82 and name HG3  )5.0 3.2 0.0 
assign (resid   77 and name HN   )(resid   78 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HB*  )(resid   78 and name HN   )3.5 1.7 0.0 
assign (resid   77 and name HN   )(resid   81 and name HB3  )5.0 3.2 0.0 
assign (resid   77 and name HN   )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HB*  )(resid   81 and name HA   )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HD2* )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HB*  )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   78 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   81 and name HA   )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   82 and name HG2  )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   82 and name HG3  )5.0 3.2 0.0 
assign (resid   77 and name HD1* )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   77 and name HD2* )(resid   81 and name HA   )5.0 3.2 0.0 
assign (resid   77 and name HD2* )(resid   82 and name HG3  )5.0 3.2 0.0 
assign (resid   77 and name HD2* )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   78 and name HA   )(resid   80 and name HN   )5.0 3.2 0.0 
assign (resid   79 and name HB2  )(resid   80 and name HN   )5.0 3.2 0.0 
assign (resid   79 and name HD2  )(resid   80 and name HN   )3.0 1.2 0.0 
assign (resid   79 and name HD3  )(resid   80 and name HN   )5.0 3.2 0.0 
assign (resid   80 and name HA   )(resid   81 and name HN   )2.5 0.7 0.0 
assign (resid   80 and name HB2  )(resid   81 and name HN   )3.0 1.2 0.0 
assign (resid   80 and name HB2  )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   80 and name HB3  )(resid   81 and name HN   )5.0 3.2 0.0 
assign (resid   80 and name HB3  )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   80 and name HD2  )(resid   79 and name HG*  )5.0 3.2 0.0 
assign (resid   80 and name HD2  )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   80 and name HN   )(resid   81 and name HN   )5.0 3.2 0.0 
assign (resid   81 and name HA   )(resid   82 and name HN   )3.0 1.2 0.0 
assign (resid   81 and name HB2  )(resid   82 and name HN   )3.0 1.2 0.0 
assign (resid   81 and name HB3  )(resid   82 and name HN   )5.0 3.2 0.0 
assign (resid   81 and name HB3  )(resid   83 and name HN   )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   83 and name HN   )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   84 and name HB2  )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   84 and name HB3  )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   84 and name HN   )5.0 3.2 0.0 
assign (resid   81 and name HN   )(resid   85 and name HN   )5.0 3.2 0.0 
assign (resid   82 and name HB2  )(resid   83 and name HN   )5.0 3.2 0.0 
assign (resid   82 and name HB3  )(resid   83 and name HN   )5.0 3.2 0.0 
assign (resid   82 and name HE21 )(resid   77 and name HB*  )5.0 3.2 0.0 
assign (resid   82 and name HE21 )(resid   77 and name HD1* )5.0 3.2 0.0 
assign (resid   82 and name HE21 )(resid   77 and name HD2* )5.0 3.2 0.0 
assign (resid   82 and name HE21 )(resid   82 and name HG2  )5.0 3.2 0.0 
assign (resid   82 and name HE21 )(resid   82 and name HG3  )5.0 3.2 0.0 
assign (resid   82 and name HE22 )(resid   82 and name HG3  )5.0 3.2 0.0 
assign (resid   82 and name HN   )(resid   83 and name HN   )3.0 1.2 0.0 
assign (resid   82 and name HN   )(resid   84 and name HN   )5.0 3.2 0.0 
assign (resid   82 and name HN   )(resid   85 and name HN   )5.0 3.2 0.0 
assign (resid   82 and name HA   )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HA   )(resid   84 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HA   )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HA   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HB2  )(resid   84 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HE21 )(resid   83 and name HG2  )5.0 3.2 0.0 
assign (resid   83 and name HE21 )(resid   83 and name HG3  )5.0 3.2 0.0 
assign (resid   83 and name HE22 )(resid   72 and name HB   )5.0 3.2 0.0 
assign (resid   83 and name HE22 )(resid   72 and name HG2* )5.0 3.2 0.0 
assign (resid   83 and name HE22 )(resid   83 and name HG2  )5.0 3.2 0.0 
assign (resid   83 and name HE22 )(resid   83 and name HG3  )5.0 3.2 0.0 
assign (resid   83 and name HN   )(resid   84 and name HN   )3.0 1.2 0.0 
assign (resid   83 and name HN   )(resid   85 and name HN   )5.0 3.2 0.0 
assign (resid   83 and name HN   )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HA   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HA   )(resid   89 and name HG1* )5.0 3.2 0.0 
assign (resid   84 and name HA   )(resid   90 and name HA   )5.0 3.2 0.0 
assign (resid   84 and name HB2  )(resid   85 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HB2  )(resid   89 and name HG1* )5.0 3.2 0.0 
assign (resid   84 and name HB2  )(resid   90 and name HA   )3.0 1.2 0.0 
assign (resid   84 and name HB2  )(resid   93 and name HB2  )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   85 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   89 and name HG1* )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   90 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   90 and name HA   )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   93 and name HB2  )5.0 3.2 0.0 
assign (resid   84 and name HB3  )(resid   93 and name HB3  )3.0 1.2 0.0 
assign (resid   84 and name HN   )(resid   85 and name HN   )3.0 1.2 0.0 
assign (resid   84 and name HN   )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HN   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   84 and name HN   )(resid   89 and name HG*  )5.0 3.2 0.0 
assign (resid   84 and name HN   )(resid   90 and name HA   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   90 and name HA   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   90 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   90 and name HB*  )5.0 3.2 0.0 
assign (resid   85 and name HB   )(resid   86 and name HN   )3.0 1.2 0.0 
assign (resid   85 and name HN   )(resid   81 and name O    )2.2 0.4 0.0 
assign (resid   85 and name N    )(resid   81 and name O    )3.2 1.4 0.0 
assign (resid   85 and name HN   )(resid   86 and name HN   )3.0 1.2 0.0 
assign (resid   85 and name HG2* )(resid   86 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   88 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HA   )(resid   89 and name HN   )5.0 3.2 0.0 
assign (resid   85 and name HN   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   86 and name HA   )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   86 and name HB2  )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   86 and name HB3  )(resid   87 and name HN   )5.0 3.2 0.0 
assign (resid   86 and name HN   )(resid   87 and name HN   )3.0 1.2 0.0 
assign (resid   86 and name HN   )(resid   88 and name HN   )5.0 3.2 0.0 
assign (resid   87 and name HA   )(resid   88 and name HN   )5.0 3.2 0.0 
assign (resid   87 and name HB   )(resid   88 and name HN   )5.0 3.2 0.0 
assign (resid   87 and name HN   )(resid   83 and name O    )2.2 0.4 0.0 
assign (resid   87 and name N    )(resid   83 and name O    )3.2 1.4 0.0 
assign (resid   87 and name HN   )(resid   88 and name HN   )3.0 1.2 0.0 
assign (resid   87 and name HN   )(resid   89 and name HN   )5.0 3.2 0.0 
assign (resid   87 and name HN   )(resid   89 and name HG1* )5.0 3.2 0.0 
assign (resid   87 and name HG2* )(resid   88 and name HN   )5.0 3.2 0.0 
assign (resid   87 and name HG2* )(resid   89 and name HN   )3.5 1.7 0.0 
assign (resid   88 and name HA1  )(resid   89 and name HN   )5.0 3.2 0.0 
assign (resid   88 and name HA2  )(resid   89 and name HN   )5.0 3.2 0.0 
assign (resid   88 and name HN   )(resid   89 and name HN   )3.0 1.2 0.0 
assign (resid   88 and name HN   )(resid   90 and name HN   )5.0 3.2 0.0 
assign (resid   88 and name HA1  )(resid   90 and name HN   )4.0 2.2 0.0 
assign (resid   88 and name HA2  )(resid   90 and name HN   )5.0 3.2 0.0 
assign (resid   88 and name HN   )(resid   84 and name O    )2.2 0.4 0.0 
assign (resid   88 and name N    )(resid   84 and name O    )3.2 1.4 0.0 
assign (resid   89 and name HA   )(resid   90 and name HN   )2.8 1.0 0.0 
assign (resid   89 and name HB   )(resid   92 and name HB2  )5.0 3.2 0.0 
assign (resid   89 and name HB   )(resid   92 and name HG   )3.0 1.2 0.0 
assign (resid   89 and name HB   )(resid   92 and name HN   )5.0 3.2 0.0 
assign (resid   89 and name HG1* )(resid   92 and name HN   )4.0 2.2 0.0 
assign (resid   89 and name HB   )(resid   92 and name HD1* )5.0 3.2 0.0 
assign (resid   89 and name HN   )(resid   90 and name HN   )3.0 1.2 0.0 
assign (resid   90 and name HA   )(resid   89 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HA   )(resid   91 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HA   )(resid   92 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HA   )(resid   93 and name HB2  )5.0 3.2 0.0 
assign (resid   90 and name HA   )(resid   93 and name HB3  )5.0 3.2 0.0 
assign (resid   90 and name HA   )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HN   )(resid   91 and name HN   )2.5 0.7 0.0 
assign (resid   90 and name HN   )(resid   92 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HB*  )(resid   91 and name HN   )5.0 3.2 0.0 
assign (resid   90 and name HB*  )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   91 and name HA   )(resid   92 and name HN   )5.0 3.2 0.0 
assign (resid   91 and name HA   )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   91 and name HD2  )(resid   92 and name HG   )5.0 3.2 0.0 
assign (resid   91 and name HD2  )(resid   92 and name HD2* )5.0 3.2 0.0 
assign (resid   91 and name HE1  )(resid   89 and name HA   )5.0 3.2 0.0 
assign (resid   91 and name HE1  )(resid   89 and name HB   )5.0 3.2 0.0 
assign (resid   91 and name HE1  )(resid   89 and name HG2* )5.0 3.2 0.0 
assign (resid   91 and name HE1  )(resid   92 and name HG   )5.0 3.2 0.0 
assign (resid   91 and name HE1  )(resid   92 and name HD1* )5.0 3.2 0.0 
assign (resid   91 and name HN   )(resid   92 and name HN   )2.5 0.7 0.0 
assign (resid   91 and name HB2  )(resid   92 and name HN   )3.5 1.7 0.0 
assign (resid   91 and name HB3  )(resid   92 and name HN   )4.0 2.2 0.0 
assign (resid   91 and name HN   )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   92 and name HA   )(resid   93 and name HN   )3.0 1.2 0.0 
assign (resid   92 and name HB3  )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   92 and name HG   )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   92 and name HN   )(resid   93 and name HN   )2.5 0.7 0.0 
assign (resid   92 and name HD2* )(resid   93 and name HN   )5.0 3.2 0.0 
assign (resid   93 and name HA   )(resid   94 and name HN   )2.5 0.7 0.0 
assign (resid   93 and name HB3  )(resid   94 and name HN   )5.0 3.2 0.0 
assign (resid   93 and name HN   )(resid   90 and name O    )2.2 0.4 0.0 
assign (resid   93 and name N    )(resid   90 and name O    )3.2 1.4 0.0 
assign (resid   94 and name HA   )(resid   95 and name HN   )2.5 0.7 0.0 
assign (resid   94 and name HB2  )(resid   95 and name HN   )5.0 3.2 0.0 
assign (resid   94 and name HB3  )(resid   95 and name HN   )3.0 1.2 0.0 
assign (resid   95 and name HD*  )(resid   62 and name HB*  )5.0 3.2 0.0 
assign (resid   95 and name HD*  )(resid   64 and name HA   )5.0 3.2 0.0 
assign (resid   95 and name HD*  )(resid   75 and name HN   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   63 and name HA   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   64 and name HB3  )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   64 and name HN   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   76 and name HA   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   76 and name HN   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   76 and name HG*  )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   78 and name HA   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   78 and name HD*  )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   80 and name HA   )5.0 3.2 0.0 
assign (resid   95 and name HE*  )(resid   81 and name HN   )5.0 3.2 0.0 
assign (resid   95 and name HA   )(resid   96 and name HN   )2.5 0.7 0.0 
assign (resid   95 and name HB2  )(resid   96 and name HN   )3.0 1.2 0.0 
assign (resid   95 and name HB3  )(resid   96 and name HN   )5.0 3.2 0.0 
assign (resid   95 and name HN   )(resid   96 and name HN   )5.0 3.2 0.0 
assign (resid   96 and name HA   )(resid   97 and name HN   )2.5 0.7 0.0 
assign (resid   96 and name HB2  )(resid   97 and name HN   )5.0 3.2 0.0 
assign (resid   96 and name HB3  )(resid   97 and name HN   )5.0 3.2 0.0 
assign (resid   96 and name HN   )(resid   97 and name HN   )5.0 3.2 0.0 
assign (resid   97 and name HB*  )(resid  100 and name HE1  )5.0 3.2 0.0 
assign (resid   97 and name HG*  )(resid   99 and name HG2* )5.0 3.2 0.0 
assign (resid   97 and name HG*  )(resid  100 and name HE1  )5.0 3.2 0.0 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE  60          3H        ILE  60  13.213  -8.731  -5.199
    2   2H    ILE  60          1H        ILE  60  12.692  -8.190  -6.729
    3   3H    ILE  60          2H        ILE  60  14.154  -7.620  -6.081
    4    HA   ILE  60           HA       ILE  60  13.051  -6.476  -4.408
    5    HB   ILE  60           HB       ILE  60  11.520  -4.981  -5.771
    6   1HG1  ILE  60          2HG1      ILE  60  10.771  -6.780  -7.459
    7   2HG1  ILE  60          1HG1      ILE  60  11.144  -5.131  -8.018
    8   1HG2  ILE  60          2HG2      ILE  60  13.911  -4.554  -5.384
    9   2HG2  ILE  60          3HG2      ILE  60  14.370  -5.572  -6.796
   10   3HG2  ILE  60          1HG2      ILE  60  13.452  -4.039  -7.048
   11   1HD1  ILE  60          3HD1      ILE  60  13.341  -5.863  -8.932
   12   2HD1  ILE  60          1HD1      ILE  60  13.017  -7.553  -8.392
   13   3HD1  ILE  60          2HD1      ILE  60  11.968  -6.787  -9.629
   14    HA   PRO  61           HA       PRO  61   9.074  -8.151  -3.326
   15   1HB   PRO  61          1HB       PRO  61   7.958  -6.150  -1.750
   16   2HB   PRO  61          2HB       PRO  61   9.369  -7.139  -1.192
   17   1HG   PRO  61          2HG       PRO  61   9.411  -4.355  -2.471
   18   2HG   PRO  61          1HG       PRO  61  10.295  -4.928  -0.995
   19   1HD   PRO  61          2HD       PRO  61  11.481  -4.835  -3.508
   20   2HD   PRO  61          1HD       PRO  61  11.875  -6.169  -2.326
   21    H    LEU  62           H        LEU  62   6.663  -7.641  -3.532
   22    HA   LEU  62           HA       LEU  62   6.205  -6.269  -6.007
   23   1HB   LEU  62          1HB       LEU  62   4.338  -7.667  -4.005
   24   2HB   LEU  62          2HB       LEU  62   3.769  -6.961  -5.552
   25    HG   LEU  62           HG       LEU  62   5.821  -9.239  -5.335
   26   1HD1  LEU  62          3HD2      LEU  62   2.810  -9.256  -5.974
   27   2HD1  LEU  62          1HD2      LEU  62   3.919 -10.674  -6.135
   28   3HD1  LEU  62          2HD2      LEU  62   3.604  -9.945  -4.512
   29   1HD2  LEU  62          2HD1      LEU  62   4.403  -7.890  -7.718
   30   2HD2  LEU  62          3HD1      LEU  62   6.178  -8.000  -7.418
   31   3HD2  LEU  62          1HD1      LEU  62   5.249  -9.488  -7.826
   32    H    SER  63           H        SER  63   4.099  -4.916  -6.071
   33    HA   SER  63           HA       SER  63   3.391  -3.422  -3.812
   34   1HB   SER  63          1HB       SER  63   5.653  -2.208  -4.255
   35   2HB   SER  63          2HB       SER  63   5.194  -2.076  -5.994
   36    HG   SER  63           HG       SER  63   4.841  -0.185  -4.823
   37    H    CYS  64           H        CYS  64   1.605  -2.019  -4.387
   38    HA   CYS  64           HA       CYS  64   0.407  -3.083  -6.731
   39   1HB   CYS  64          1HB       CYS  64  -1.645  -2.292  -5.870
   40   2HB   CYS  64          2HB       CYS  64  -0.765  -2.982  -4.503
   41    H    THR  65           H        THR  65  -1.039  -1.408  -7.972
   42    HA   THR  65           HA       THR  65   1.055  -0.336  -9.425
   43    HB   THR  65           HB       THR  65  -0.615   0.212 -11.138
   44    HG1  THR  65           HG1      THR  65  -2.771  -0.228 -10.629
   45   1HG2  THR  65          2HG2      THR  65   0.208  -2.191 -10.786
   46   2HG2  THR  65          3HG2      THR  65  -1.214  -2.483  -9.724
   47   3HG2  THR  65          1HG2      THR  65  -1.466  -2.096 -11.459
   48    H    ILE  66           H        ILE  66  -1.137   1.237  -7.167
   49    HA   ILE  66           HA       ILE  66  -0.508   3.821  -8.340
   50    HB   ILE  66           HB       ILE  66  -1.817   3.973  -5.805
   51   1HG1  ILE  66          2HG1      ILE  66  -4.108   3.431  -6.858
   52   2HG1  ILE  66          1HG1      ILE  66  -3.248   2.368  -8.019
   53   1HG2  ILE  66          2HG2      ILE  66  -1.372   5.804  -7.398
   54   2HG2  ILE  66          3HG2      ILE  66  -2.398   4.997  -8.650
   55   3HG2  ILE  66          1HG2      ILE  66  -3.144   5.614  -7.122
   56   1HD1  ILE  66          3HD1      ILE  66  -2.834   2.134  -4.977
   57   2HD1  ILE  66          1HD1      ILE  66  -4.216   1.320  -5.797
   58   3HD1  ILE  66          2HD1      ILE  66  -2.530   0.880  -6.240
   59    H    CYS  67           H        CYS  67   0.143   1.701  -5.588
   60    HA   CYS  67           HA       CYS  67   1.323   3.648  -3.967
   61   1HB   CYS  67          1HB       CYS  67   1.741   0.615  -4.034
   62   2HB   CYS  67          2HB       CYS  67   2.550   1.688  -2.855
   63    H    ARG  68           H        ARG  68   2.612   1.720  -6.667
   64    HA   ARG  68           HA       ARG  68   5.297   2.311  -5.993
   65   1HB   ARG  68          1HB       ARG  68   4.409   0.341  -7.400
   66   2HB   ARG  68          2HB       ARG  68   4.260   1.513  -8.754
   67   1HG   ARG  68          2HG       ARG  68   6.733   1.934  -8.642
   68   2HG   ARG  68          1HG       ARG  68   6.842   0.914  -7.163
   69   1HD   ARG  68          2HD       ARG  68   6.105  -1.093  -8.492
   70   2HD   ARG  68          1HD       ARG  68   6.074  -0.062  -9.994
   71    HE   ARG  68           HE       ARG  68   8.622   0.301  -8.765
   72   1HH1  ARG  68          1HH1      ARG  68   6.657  -2.289 -10.231
   73   2HH1  ARG  68          2HH1      ARG  68   8.015  -3.198 -10.804
   74   1HH2  ARG  68          1HH2      ARG  68  10.463  -0.942  -9.546
   75   2HH2  ARG  68          2HH2      ARG  68  10.209  -2.422 -10.408
   76    H    LYS  69           H        LYS  69   2.699   3.982  -7.738
   77    HA   LYS  69           HA       LYS  69   4.472   5.649  -9.204
   78   1HB   LYS  69          1HB       LYS  69   1.473   5.915  -8.671
   79   2HB   LYS  69          2HB       LYS  69   2.430   7.016  -9.725
   80   1HG   LYS  69          2HG       LYS  69   2.161   3.985 -10.195
   81   2HG   LYS  69          1HG       LYS  69   1.127   5.239 -10.965
   82   1HD   LYS  69          2HD       LYS  69   3.168   6.276 -11.993
   83   2HD   LYS  69          1HD       LYS  69   4.184   4.974 -11.277
   84   1HE   LYS  69          2HE       LYS  69   2.931   3.248 -12.587
   85   2HE   LYS  69          1HE       LYS  69   1.890   4.549 -13.305
   86   1HZ   LYS  69          1HZ       LYS  69   4.846   4.331 -13.552
   87   2HZ   LYS  69          2HZ       LYS  69   3.700   3.939 -14.743
   88   3HZ   LYS  69          3HZ       LYS  69   3.869   5.547 -14.224
   89    H    ARG  70           H        ARG  70   2.517   6.085  -6.093
   90    HA   ARG  70           HA       ARG  70   3.400   8.742  -5.908
   91   1HB   ARG  70          1HB       ARG  70   2.723   7.038  -3.491
   92   2HB   ARG  70          2HB       ARG  70   2.405   8.775  -3.773
   93   1HG   ARG  70          2HG       ARG  70   0.887   6.368  -4.923
   94   2HG   ARG  70          1HG       ARG  70   0.350   7.493  -3.669
   95   1HD   ARG  70          2HD       ARG  70   0.383   9.383  -5.409
   96   2HD   ARG  70          1HD       ARG  70   0.665   8.112  -6.678
   97    HE   ARG  70           HE       ARG  70  -1.522   7.252  -5.059
   98   1HH1  ARG  70          1HH1      ARG  70  -0.656   9.942  -7.233
   99   2HH1  ARG  70          2HH1      ARG  70  -2.288  10.285  -7.700
  100   1HH2  ARG  70          1HH2      ARG  70  -3.736   7.724  -5.694
  101   2HH2  ARG  70          2HH2      ARG  70  -4.064   9.005  -6.812
  102    H    LYS  71           H        LYS  71   4.496   5.531  -4.978
  103    HA   LYS  71           HA       LYS  71   6.215   4.683  -4.214
  104   1HB   LYS  71          2HB       LYS  71   7.564   6.378  -5.569
  105   2HB   LYS  71          1HB       LYS  71   7.743   7.329  -4.055
  106   1HG   LYS  71          2HG       LYS  71   9.713   5.927  -4.516
  107   2HG   LYS  71          1HG       LYS  71   8.923   5.390  -2.991
  108   1HD   LYS  71          2HD       LYS  71   7.977   3.427  -4.079
  109   2HD   LYS  71          1HD       LYS  71   8.398   4.050  -5.708
  110   1HE   LYS  71          2HE       LYS  71  10.848   3.789  -5.167
  111   2HE   LYS  71          1HE       LYS  71  10.408   3.173  -3.518
  112   1HZ   LYS  71          1HZ       LYS  71   9.212   1.377  -4.572
  113   2HZ   LYS  71          2HZ       LYS  71   9.628   1.953  -6.116
  114   3HZ   LYS  71          3HZ       LYS  71  10.838   1.401  -5.060
  115    H    VAL  72           H        VAL  72   4.457   4.537  -2.637
  116    HA   VAL  72           HA       VAL  72   5.366   5.476  -0.049
  117    HB   VAL  72           HB       VAL  72   2.955   4.906   0.585
  118   1HG1  VAL  72          1HG1      VAL  72   3.856   7.239   0.489
  119   2HG1  VAL  72          2HG1      VAL  72   3.441   7.338  -1.263
  120   3HG1  VAL  72          3HG1      VAL  72   2.131   7.189  -0.036
  121   1HG2  VAL  72          1HG2      VAL  72   2.500   5.140  -2.466
  122   2HG2  VAL  72          2HG2      VAL  72   2.259   3.666  -1.453
  123   3HG2  VAL  72          3HG2      VAL  72   1.225   5.107  -1.210
  124    H    LYS  73           H        LYS  73   4.750   3.652   1.559
  125    HA   LYS  73           HA       LYS  73   5.757   1.248   0.347
  126   1HB   LYS  73          2HB       LYS  73   5.178   2.132   3.190
  127   2HB   LYS  73          1HB       LYS  73   5.221   0.376   2.809
  128   1HG   LYS  73          2HG       LYS  73   7.405   1.107   3.638
  129   2HG   LYS  73          1HG       LYS  73   7.496   0.513   1.943
  130   1HD   LYS  73          2HD       LYS  73   7.607   2.856   1.107
  131   2HD   LYS  73          1HD       LYS  73   7.414   3.479   2.787
  132   1HE   LYS  73          2HE       LYS  73   9.798   3.581   2.092
  133   2HE   LYS  73          1HE       LYS  73   9.611   2.348   3.408
  134   1HZ   LYS  73          1HZ       LYS  73   9.731   1.802   0.486
  135   2HZ   LYS  73          2HZ       LYS  73  10.978   1.559   1.613
  136   3HZ   LYS  73          3HZ       LYS  73   9.551   0.642   1.714
  137    H    CYS  74           H        CYS  74   4.504  -0.099  -0.700
  138    HA   CYS  74           HA       CYS  74   1.797  -0.478  -0.288
  139   1HB   CYS  74          1HB       CYS  74   3.386  -1.130  -2.250
  140   2HB   CYS  74          2HB       CYS  74   3.801  -2.576  -1.265
  141    H    ASP  75           H        ASP  75   0.873  -2.754   0.435
  142    HA   ASP  75           HA       ASP  75   2.135  -3.064   3.106
  143   1HB   ASP  75          2HB       ASP  75  -0.824  -2.497   2.543
  144   2HB   ASP  75          1HB       ASP  75  -0.151  -2.994   4.142
  145    H    LYS  76           H        LYS  76  -0.167  -4.198   0.673
  146    HA   LYS  76           HA       LYS  76  -0.817  -6.151   0.036
  147   1HB   LYS  76          1HB       LYS  76   1.342  -7.510   1.735
  148   2HB   LYS  76          2HB       LYS  76   0.236  -8.292   0.564
  149   1HG   LYS  76          2HG       LYS  76   2.182  -8.169  -0.605
  150   2HG   LYS  76          1HG       LYS  76   1.232  -6.800  -1.271
  151   1HD   LYS  76          2HD       LYS  76   2.583  -5.189   0.032
  152   2HD   LYS  76          1HD       LYS  76   3.407  -6.529   0.913
  153   1HE   LYS  76          2HE       LYS  76   3.596  -6.035  -2.128
  154   2HE   LYS  76          1HE       LYS  76   4.823  -5.497  -0.904
  155   1HZ   LYS  76          2HZ       LYS  76   3.993  -8.302  -1.427
  156   2HZ   LYS  76          3HZ       LYS  76   5.427  -7.557  -1.949
  157   3HZ   LYS  76          1HZ       LYS  76   5.146  -7.788  -0.290
  158    H    LEU  77           H        LEU  77  -2.233  -4.850   2.020
  159    HA   LEU  77           HA       LEU  77  -3.005  -6.996   3.842
  160   1HB   LEU  77          2HB       LEU  77  -4.518  -4.377   3.292
  161   2HB   LEU  77          1HB       LEU  77  -4.818  -5.561   4.600
  162    HG   LEU  77           HG       LEU  77  -2.721  -3.390   4.354
  163   1HD1  LEU  77          2HD2      LEU  77  -4.645  -4.382   6.561
  164   2HD1  LEU  77          3HD2      LEU  77  -3.528  -2.982   6.728
  165   3HD1  LEU  77          1HD2      LEU  77  -4.858  -2.933   5.505
  166   1HD2  LEU  77          3HD1      LEU  77  -2.386  -5.814   6.225
  167   2HD2  LEU  77          1HD1      LEU  77  -1.265  -5.284   4.902
  168   3HD2  LEU  77          2HD1      LEU  77  -1.508  -4.237   6.337
  169    H    ARG  78           H        ARG  78  -4.696  -8.405   3.244
  170    HA   ARG  78           HA       ARG  78  -5.824  -7.942   0.621
  171   1HB   ARG  78          2HB       ARG  78  -5.981 -10.211   2.637
  172   2HB   ARG  78          1HB       ARG  78  -7.268 -10.019   1.397
  173   1HG   ARG  78          2HG       ARG  78  -5.613 -11.623   0.603
  174   2HG   ARG  78          1HG       ARG  78  -5.640 -10.158  -0.438
  175   1HD   ARG  78          2HD       ARG  78  -3.517  -9.343   0.607
  176   2HD   ARG  78          1HD       ARG  78  -3.510 -10.787   1.719
  177    HE   ARG  78           HE       ARG  78  -3.756 -11.660  -1.027
  178   1HH1  ARG  78          1HH1      ARG  78  -1.473 -10.150   1.258
  179   2HH1  ARG  78          2HH1      ARG  78  -0.054 -10.750   0.467
  180   1HH2  ARG  78          1HH2      ARG  78  -1.823 -12.472  -2.099
  181   2HH2  ARG  78          2HH2      ARG  78  -0.255 -12.089  -1.468
  182    HA   PRO  79           HA       PRO  79  -7.941  -7.926  -0.381
  183   1HB   PRO  79          2HB       PRO  79  -9.867  -6.004  -1.085
  184   2HB   PRO  79          1HB       PRO  79 -10.262  -7.653  -0.452
  185   1HG   PRO  79          2HG       PRO  79 -10.137  -5.021   1.115
  186   2HG   PRO  79          1HG       PRO  79 -11.385  -6.334   1.203
  187   1HD   PRO  79          2HD       PRO  79  -9.289  -6.113   3.018
  188   2HD   PRO  79          1HD       PRO  79  -9.886  -7.747   2.465
  189    H    HIS  80           H        HIS  80  -8.279  -4.453   0.746
  190    HA   HIS  80           HA       HIS  80  -6.184  -3.762  -1.191
  191   1HB   HIS  80          2HB       HIS  80  -7.270  -1.351  -0.611
  192   2HB   HIS  80          1HB       HIS  80  -7.904  -2.324  -1.952
  193    HD1  HIS  80           HD1      HIS  80 -10.157  -3.883  -1.311
  194    HD2  HIS  80           HD2      HIS  80  -9.118  -0.550   0.934
  195    HE1  HIS  80           HE1      HIS  80 -12.265  -3.118  -0.081
  196    H    CYS  81           H        CYS  81  -4.682  -2.081  -0.516
  197    HA   CYS  81           HA       CYS  81  -3.641  -2.640   1.976
  198   1HB   CYS  81          2HB       CYS  81  -3.036  -0.093   0.414
  199   2HB   CYS  81          1HB       CYS  81  -1.917  -1.050   1.416
  200    H    GLN  82           H        GLN  82  -2.734  -0.826   3.334
  201    HA   GLN  82           HA       GLN  82  -4.769   0.692   4.545
  202   1HB   GLN  82          2HB       GLN  82  -1.717   0.971   4.707
  203   2HB   GLN  82          1HB       GLN  82  -2.876   1.784   5.815
  204   1HG   GLN  82          2HG       GLN  82  -3.594  -0.355   6.766
  205   2HG   GLN  82          1HG       GLN  82  -2.745  -1.273   5.462
  206   1HE2  GLN  82          2HE2      GLN  82   0.074  -1.750   7.355
  207   2HE2  GLN  82          1HE2      GLN  82  -1.186  -2.369   6.330
  208    H    GLN  83           H        GLN  83  -2.461   1.358   1.900
  209    HA   GLN  83           HA       GLN  83  -2.618   4.112   1.958
  210   1HB   GLN  83          2HB       GLN  83  -1.996   2.322  -0.124
  211   2HB   GLN  83          1HB       GLN  83  -1.788   4.083  -0.271
  212   1HG   GLN  83          2HG       GLN  83  -0.299   2.154   1.656
  213   2HG   GLN  83          1HG       GLN  83   0.413   3.015   0.245
  214   1HE2  GLN  83          2HE2      GLN  83   0.136   6.332   1.840
  215   2HE2  GLN  83          1HE2      GLN  83  -0.245   5.559   0.336
  216    H    CYS  84           H        CYS  84  -4.144   1.777  -0.438
  217    HA   CYS  84           HA       CYS  84  -5.803   3.470  -1.515
  218   1HB   CYS  84          2HB       CYS  84  -5.879   0.420  -1.186
  219   2HB   CYS  84          1HB       CYS  84  -6.567   1.362  -2.550
  220    H    THR  85           H        THR  85  -6.351   1.870   1.605
  221    HA   THR  85           HA       THR  85  -9.179   2.102   1.377
  222    HB   THR  85           HB       THR  85  -7.455   2.096   3.908
  223    HG1  THR  85           HG1      THR  85  -7.302   0.248   2.611
  224   1HG2  THR  85          2HG2      THR  85 -10.489   1.634   3.426
  225   2HG2  THR  85          3HG2      THR  85  -9.629   1.268   4.963
  226   3HG2  THR  85          1HG2      THR  85  -9.767   2.964   4.412
  227    H    LYS  86           H        LYS  86  -6.462   4.148   2.617
  228    HA   LYS  86           HA       LYS  86  -8.117   6.072   3.718
  229   1HB   LYS  86          1HB       LYS  86  -5.246   5.994   3.121
  230   2HB   LYS  86          2HB       LYS  86  -6.030   7.435   3.840
  231   1HG   LYS  86          2HG       LYS  86  -6.841   6.035   5.759
  232   2HG   LYS  86          1HG       LYS  86  -6.088   4.586   5.023
  233   1HD   LYS  86          2HD       LYS  86  -4.641   5.359   6.799
  234   2HD   LYS  86          1HD       LYS  86  -3.824   5.636   5.219
  235   1HE   LYS  86          2HE       LYS  86  -3.476   7.555   6.783
  236   2HE   LYS  86          1HE       LYS  86  -4.450   8.093   5.356
  237   1HZ   LYS  86          3HZ       LYS  86  -5.512   7.322   8.026
  238   2HZ   LYS  86          1HZ       LYS  86  -5.346   8.899   7.416
  239   3HZ   LYS  86          2HZ       LYS  86  -6.434   7.816   6.688
  240    H    THR  87           H        THR  87  -6.487   5.882   0.443
  241    HA   THR  87           HA       THR  87  -7.376   8.604   0.022
  242    HB   THR  87           HB       THR  87  -5.226   8.294  -0.861
  243    HG1  THR  87           HG1      THR  87  -7.155   8.124  -2.924
  244   1HG2  THR  87          1HG2      THR  87  -6.354   5.809  -2.320
  245   2HG2  THR  87          2HG2      THR  87  -4.778   6.593  -2.683
  246   3HG2  THR  87          3HG2      THR  87  -5.060   5.862  -1.074
  247    H    GLY  88           H        GLY  88  -8.244   5.208  -0.707
  248   1HA   GLY  88          1HA       GLY  88 -10.367   4.595  -1.057
  249   2HA   GLY  88          2HA       GLY  88 -10.795   6.277  -1.576
  250    H    VAL  89           H        VAL  89  -7.959   4.388  -2.593
  251    HA   VAL  89           HA       VAL  89  -9.144   4.217  -5.243
  252    HB   VAL  89           HB       VAL  89  -7.045   4.267  -6.302
  253   1HG1  VAL  89          1HG2      VAL  89  -8.122   6.437  -5.750
  254   2HG1  VAL  89          2HG2      VAL  89  -7.193   6.532  -4.211
  255   3HG1  VAL  89          3HG2      VAL  89  -6.324   6.568  -5.785
  256   1HG2  VAL  89          3HG1      VAL  89  -5.841   3.938  -3.481
  257   2HG2  VAL  89          1HG1      VAL  89  -5.557   3.089  -5.068
  258   3HG2  VAL  89          2HG1      VAL  89  -4.921   4.753  -4.810
  259    H    ALA  90           H        ALA  90  -9.910   2.367  -3.280
  260    HA   ALA  90           HA       ALA  90  -8.147   0.196  -3.151
  261   1HB   ALA  90          1HB       ALA  90 -11.209   0.250  -2.932
  262   2HB   ALA  90          2HB       ALA  90 -10.154  -1.159  -2.546
  263   3HB   ALA  90          3HB       ALA  90 -10.037   0.357  -1.551
  264    H    HIS  91           H        HIS  91 -10.405   1.372  -5.522
  265    HA   HIS  91           HA       HIS  91 -10.927  -0.920  -7.002
  266   1HB   HIS  91          1HB       HIS  91 -11.881   0.602  -8.571
  267   2HB   HIS  91          2HB       HIS  91 -11.997   1.410  -6.944
  268    HD1  HIS  91           HD1      HIS  91 -10.092   3.266  -6.384
  269    HD2  HIS  91           HD2      HIS  91 -11.437   2.550 -10.266
  270    HE1  HIS  91           HE1      HIS  91  -9.789   5.427  -7.712
  271    H    LEU  92           H        LEU  92  -8.309   1.483  -6.902
  272    HA   LEU  92           HA       LEU  92  -7.154   0.168  -9.254
  273   1HB   LEU  92          2HB       LEU  92  -6.013   2.525  -7.652
  274   2HB   LEU  92          1HB       LEU  92  -5.360   1.881  -9.203
  275    HG   LEU  92           HG       LEU  92  -7.966   3.388  -8.717
  276   1HD1  LEU  92          1HD1      LEU  92  -5.921   4.766  -9.022
  277   2HD1  LEU  92          2HD1      LEU  92  -5.584   3.942 -10.592
  278   3HD1  LEU  92          3HD1      LEU  92  -7.060   4.964 -10.407
  279   1HD2  LEU  92          3HD2      LEU  92  -7.136   1.801 -11.218
  280   2HD2  LEU  92          1HD2      LEU  92  -8.564   1.519 -10.157
  281   3HD2  LEU  92          2HD2      LEU  92  -8.485   3.013 -11.170
  282    H    CYS  93           H        CYS  93  -7.403  -0.725  -6.342
  283    HA   CYS  93           HA       CYS  93  -4.560  -1.157  -5.809
  284   1HB   CYS  93          1HB       CYS  93  -6.121  -0.766  -3.872
  285   2HB   CYS  93          2HB       CYS  93  -6.880  -2.353  -4.218
  286    H    HIS  94           H        HIS  94  -3.628  -2.575  -7.249
  287    HA   HIS  94           HA       HIS  94  -4.473  -5.303  -6.804
  288   1HB   HIS  94          2HB       HIS  94  -3.853  -4.208  -9.620
  289   2HB   HIS  94          1HB       HIS  94  -4.077  -5.942  -9.172
  290    HD1  HIS  94           HD1      HIS  94  -6.654  -6.517  -8.317
  291    HD2  HIS  94           HD2      HIS  94  -6.172  -2.833 -10.268
  292    HE1  HIS  94           HE1      HIS  94  -8.969  -5.648  -8.960
  293    H    TYR  95           H        TYR  95  -2.639  -6.568  -6.573
  294    HA   TYR  95           HA       TYR  95  -0.161  -5.052  -6.633
  295   1HB   TYR  95          1HB       TYR  95  -0.475  -7.960  -5.724
  296   2HB   TYR  95          2HB       TYR  95   0.916  -6.841  -5.396
  297    HD1  TYR  95           HD2      TYR  95  -2.518  -7.751  -4.639
  298    HD2  TYR  95           HD1      TYR  95   0.637  -5.007  -3.573
  299    HE1  TYR  95           HE2      TYR  95  -3.807  -6.951  -2.709
  300    HE2  TYR  95           HE1      TYR  95  -0.634  -4.227  -1.806
  301    HH   TYR  95           HH       TYR  95  -2.592  -4.384  -0.603
  302    H    MET  96           H        MET  96   1.672  -5.777  -7.883
  303    HA   MET  96           HA       MET  96   0.959  -6.670 -10.423
  304   1HB   MET  96          1HB       MET  96   3.594  -6.337  -9.143
  305   2HB   MET  96          2HB       MET  96   3.379  -6.661 -10.895
  306   1HG   MET  96          2HG       MET  96   2.119  -4.542 -11.154
  307   2HG   MET  96          1HG       MET  96   2.182  -4.245  -9.394
  308   1HE   MET  96          1HE       MET  96   2.727  -2.076 -11.206
  309   2HE   MET  96          2HE       MET  96   3.000  -1.958  -9.433
  310   3HE   MET  96          3HE       MET  96   4.237  -1.332 -10.578
  311    H    GLU  97           H        GLU  97   1.338  -8.674 -11.469
  312    HA   GLU  97           HA       GLU  97   1.102 -10.769  -9.560
  313   1HB   GLU  97          1HB       GLU  97   1.126 -11.014 -12.613
  314   2HB   GLU  97          2HB       GLU  97   0.693 -12.283 -11.426
  315   1HG   GLU  97          2HG       GLU  97  -1.384 -11.508 -12.252
  316   2HG   GLU  97          1HG       GLU  97  -1.224 -10.752 -10.621
  317    H    GLN  98           H        GLN  98   2.349 -12.680  -9.462
  318    HA   GLN  98           HA       GLN  98   5.135 -12.070 -10.006
  319   1HB   GLN  98          2HB       GLN  98   4.110 -12.509  -7.640
  320   2HB   GLN  98          1HB       GLN  98   4.058 -14.233  -8.138
  321   1HG   GLN  98          2HG       GLN  98   6.577 -14.194  -8.414
  322   2HG   GLN  98          1HG       GLN  98   6.580 -12.432  -8.013
  323   1HE2  GLN  98          2HE2      GLN  98   6.421 -15.321  -5.106
  324   2HE2  GLN  98          1HE2      GLN  98   6.627 -15.666  -6.791
  325    H    THR  99           H        THR  99   2.674 -13.644 -11.541
  326    HA   THR  99           HA       THR  99   3.994 -16.127 -11.983
  327    HB   THR  99           HB       THR  99   1.612 -16.191 -12.012
  328    HG1  THR  99           HG1      THR  99   2.799 -17.527 -13.397
  329   1HG2  THR  99          2HG2      THR  99   1.178 -13.818 -12.828
  330   2HG2  THR  99          3HG2      THR  99   1.664 -14.327 -14.489
  331   3HG2  THR  99          1HG2      THR  99   0.236 -15.075 -13.702
  332    H    TRP 100           H        TRP 100   3.604 -12.998 -13.738
  333    HA   TRP 100           HA       TRP 100   5.374 -13.972 -15.800
  334   1HB   TRP 100          1HB       TRP 100   5.364 -11.642 -16.666
  335   2HB   TRP 100          2HB       TRP 100   3.718 -12.363 -16.552
  336    HD1  TRP 100           HD1      TRP 100   1.987 -11.217 -14.814
  337    HE1  TRP 100           HE1      TRP 100   2.005  -8.938 -13.641
  338    HE3  TRP 100           HE3      TRP 100   6.852 -10.007 -15.588
  339    HZ2  TRP 100           HZ2      TRP 100   3.874  -6.883 -13.119
  340    HZ3  TRP 100           HZ3      TRP 100   7.700  -7.876 -14.722
  341    HH2  TRP 100           HH2      TRP 100   6.240  -6.340 -13.502
   
  No H/Q in entry =         341
  Start of MODEL    2
    1   1H    ILE  60          2H        ILE  60   9.172  -8.358  -3.423
    2   2H    ILE  60          3H        ILE  60   9.814  -8.495  -1.855
    3   3H    ILE  60          1H        ILE  60  10.663  -9.132  -3.180
    4    HA   ILE  60           HA       ILE  60   8.968 -10.687  -3.571
    5    HB   ILE  60           HB       ILE  60  10.157 -10.806  -0.911
    6   1HG1  ILE  60          2HG1      ILE  60  10.846 -12.087  -3.619
    7   2HG1  ILE  60          1HG1      ILE  60  11.617 -10.598  -2.983
    8   1HG2  ILE  60          2HG2      ILE  60   8.641 -12.966  -2.527
    9   2HG2  ILE  60          3HG2      ILE  60   9.701 -13.330  -1.120
   10   3HG2  ILE  60          1HG2      ILE  60   8.216 -12.373  -0.871
   11   1HD1  ILE  60          2HD1      ILE  60  12.494 -11.879  -1.006
   12   2HD1  ILE  60          3HD1      ILE  60  11.814 -13.397  -1.709
   13   3HD1  ILE  60          1HD1      ILE  60  13.100 -12.497  -2.587
   14    HA   PRO  61           HA       PRO  61   5.235  -9.487  -1.007
   15   1HB   PRO  61          2HB       PRO  61   6.221  -6.794   0.028
   16   2HB   PRO  61          1HB       PRO  61   5.036  -7.912   0.824
   17   1HG   PRO  61          2HG       PRO  61   7.609  -7.723   1.759
   18   2HG   PRO  61          1HG       PRO  61   6.814  -9.347   1.606
   19   1HD   PRO  61          2HD       PRO  61   8.793  -8.038  -0.340
   20   2HD   PRO  61          1HD       PRO  61   8.722  -9.760   0.259
   21    H    LEU  62           H        LEU  62   3.814  -8.540  -2.532
   22    HA   LEU  62           HA       LEU  62   5.098  -7.035  -4.593
   23   1HB   LEU  62          1HB       LEU  62   2.102  -7.570  -4.207
   24   2HB   LEU  62          2HB       LEU  62   2.877  -6.881  -5.668
   25    HG   LEU  62           HG       LEU  62   3.023  -9.759  -4.651
   26   1HD1  LEU  62          1HD1      LEU  62   2.058  -8.368  -7.232
   27   2HD1  LEU  62          2HD1      LEU  62   2.067 -10.163  -6.974
   28   3HD1  LEU  62          3HD1      LEU  62   1.017  -9.100  -5.957
   29   1HD2  LEU  62          2HD2      LEU  62   4.687  -8.463  -6.894
   30   2HD2  LEU  62          3HD2      LEU  62   5.320  -9.246  -5.396
   31   3HD2  LEU  62          1HD2      LEU  62   4.496 -10.240  -6.649
   32    H    SER  63           H        SER  63   4.399  -5.001  -5.371
   33    HA   SER  63           HA       SER  63   3.117  -3.346  -3.312
   34   1HB   SER  63          2HB       SER  63   5.079  -2.488  -5.545
   35   2HB   SER  63          1HB       SER  63   4.221  -1.358  -4.426
   36    HG   SER  63           HG       SER  63   5.281  -2.437  -2.710
   37    H    CYS  64           H        CYS  64   1.663  -1.722  -4.177
   38    HA   CYS  64           HA       CYS  64   0.391  -2.853  -6.528
   39   1HB   CYS  64          2HB       CYS  64  -1.594  -1.670  -6.121
   40   2HB   CYS  64          1HB       CYS  64  -1.099  -2.426  -4.584
   41    H    THR  65           H        THR  65  -0.594  -1.157  -8.042
   42    HA   THR  65           HA       THR  65   1.662  -0.182  -9.322
   43    HB   THR  65           HB       THR  65   0.250  -0.738 -10.975
   44    HG1  THR  65           HG1      THR  65  -1.033   0.968 -11.664
   45   1HG2  THR  65          1HG2      THR  65  -2.066  -0.132  -9.005
   46   2HG2  THR  65          2HG2      THR  65  -2.275  -0.726 -10.690
   47   3HG2  THR  65          3HG2      THR  65  -1.418  -1.757  -9.502
   48    H    ILE  66           H        ILE  66  -0.775   1.426  -7.302
   49    HA   ILE  66           HA       ILE  66   0.012   4.020  -8.144
   50    HB   ILE  66           HB       ILE  66  -1.384   3.531  -5.626
   51   1HG1  ILE  66          2HG1      ILE  66  -2.647   3.516  -8.441
   52   2HG1  ILE  66          1HG1      ILE  66  -2.538   2.094  -7.337
   53   1HG2  ILE  66          1HG2      ILE  66  -0.580   5.860  -6.186
   54   2HG2  ILE  66          2HG2      ILE  66  -1.396   5.753  -7.775
   55   3HG2  ILE  66          3HG2      ILE  66  -2.365   5.797  -6.257
   56   1HD1  ILE  66          2HD1      ILE  66  -3.929   3.296  -5.640
   57   2HD1  ILE  66          3HD1      ILE  66  -4.172   4.642  -6.816
   58   3HD1  ILE  66          1HD1      ILE  66  -4.780   2.990  -7.193
   59    H    CYS  67           H        CYS  67   0.771   1.778  -5.432
   60    HA   CYS  67           HA       CYS  67   2.182   3.759  -3.993
   61   1HB   CYS  67          1HB       CYS  67   2.190   0.702  -3.832
   62   2HB   CYS  67          2HB       CYS  67   3.151   1.753  -2.737
   63    H    ARG  68           H        ARG  68   3.045   1.668  -6.691
   64    HA   ARG  68           HA       ARG  68   5.848   1.973  -6.171
   65   1HB   ARG  68          2HB       ARG  68   4.621  -0.038  -7.322
   66   2HB   ARG  68          1HB       ARG  68   4.591   1.008  -8.781
   67   1HG   ARG  68          2HG       ARG  68   7.123   1.106  -8.700
   68   2HG   ARG  68          1HG       ARG  68   7.090   0.141  -7.180
   69   1HD   ARG  68          2HD       ARG  68   5.995  -1.769  -8.452
   70   2HD   ARG  68          1HD       ARG  68   6.186  -0.799  -9.982
   71    HE   ARG  68           HE       ARG  68   8.707  -0.948  -8.540
   72   1HH1  ARG  68          1HH1      ARG  68   6.420  -2.870 -10.490
   73   2HH1  ARG  68          2HH1      ARG  68   7.616  -3.984 -11.064
   74   1HH2  ARG  68          1HH2      ARG  68  10.324  -2.465  -9.322
   75   2HH2  ARG  68          2HH2      ARG  68   9.869  -3.751 -10.389
   76    H    LYS  69           H        LYS  69   3.259   3.797  -7.648
   77    HA   LYS  69           HA       LYS  69   4.897   5.066  -9.598
   78   1HB   LYS  69          2HB       LYS  69   2.431   4.737  -9.899
   79   2HB   LYS  69          1HB       LYS  69   2.134   5.876  -8.542
   80   1HG   LYS  69          2HG       LYS  69   3.162   7.730  -9.847
   81   2HG   LYS  69          1HG       LYS  69   3.622   6.571 -11.147
   82   1HD   LYS  69          2HD       LYS  69   1.205   6.102 -11.580
   83   2HD   LYS  69          1HD       LYS  69   0.744   7.190 -10.226
   84   1HE   LYS  69          2HE       LYS  69   0.462   8.376 -12.390
   85   2HE   LYS  69          1HE       LYS  69   1.824   9.135 -11.464
   86   1HZ   LYS  69          3HZ       LYS  69   2.085   7.116 -13.632
   87   2HZ   LYS  69          1HZ       LYS  69   2.366   8.785 -13.771
   88   3HZ   LYS  69          2HZ       LYS  69   3.361   7.837 -12.772
   89    H    ARG  70           H        ARG  70   3.377   5.998  -6.376
   90    HA   ARG  70           HA       ARG  70   4.666   8.495  -6.458
   91   1HB   ARG  70          1HB       ARG  70   3.559   7.122  -3.969
   92   2HB   ARG  70          2HB       ARG  70   3.652   8.877  -4.322
   93   1HG   ARG  70          2HG       ARG  70   1.759   6.788  -5.519
   94   2HG   ARG  70          1HG       ARG  70   1.335   8.074  -4.376
   95   1HD   ARG  70          2HD       ARG  70   1.684   9.815  -6.109
   96   2HD   ARG  70          1HD       ARG  70   2.269   8.561  -7.291
   97    HE   ARG  70           HE       ARG  70  -0.352   7.895  -6.202
   98   1HH1  ARG  70          1HH1      ARG  70   1.397   9.982  -8.508
   99   2HH1  ARG  70          2HH1      ARG  70   0.053  10.172  -9.582
  100   1HH2  ARG  70          1HH2      ARG  70  -2.176   8.162  -7.668
  101   2HH2  ARG  70          2HH2      ARG  70  -2.007   9.124  -9.097
  102    H    LYS  71           H        LYS  71   5.250   5.268  -5.151
  103    HA   LYS  71           HA       LYS  71   6.828   4.316  -4.139
  104   1HB   LYS  71          1HB       LYS  71   8.503   5.628  -5.520
  105   2HB   LYS  71          2HB       LYS  71   8.706   6.691  -4.084
  106   1HG   LYS  71          2HG       LYS  71   8.761   3.902  -3.189
  107   2HG   LYS  71          1HG       LYS  71   9.758   4.024  -4.649
  108   1HD   LYS  71          2HD       LYS  71  11.015   5.973  -3.521
  109   2HD   LYS  71          1HD       LYS  71   9.932   5.743  -2.093
  110   1HE   LYS  71          2HE       LYS  71  12.152   4.666  -1.695
  111   2HE   LYS  71          1HE       LYS  71  10.856   3.402  -1.798
  112   1HZ   LYS  71          1HZ       LYS  71  11.482   3.041  -4.091
  113   2HZ   LYS  71          2HZ       LYS  71  12.703   4.216  -3.984
  114   3HZ   LYS  71          3HZ       LYS  71  12.800   2.803  -3.048
  115    H    VAL  72           H        VAL  72   5.118   4.391  -2.666
  116    HA   VAL  72           HA       VAL  72   5.944   5.505  -0.128
  117    HB   VAL  72           HB       VAL  72   3.517   5.213   0.468
  118   1HG1  VAL  72          2HG2      VAL  72   4.560   7.483  -0.001
  119   2HG1  VAL  72          3HG2      VAL  72   4.079   7.296  -1.739
  120   3HG1  VAL  72          1HG2      VAL  72   2.812   7.418  -0.468
  121   1HG2  VAL  72          1HG1      VAL  72   2.773   3.768  -1.414
  122   2HG2  VAL  72          2HG1      VAL  72   1.812   5.278  -1.345
  123   3HG2  VAL  72          3HG1      VAL  72   3.099   5.110  -2.584
  124    H    LYS  73           H        LYS  73   5.036   3.862   1.555
  125    HA   LYS  73           HA       LYS  73   5.978   1.318   0.633
  126   1HB   LYS  73          1HB       LYS  73   6.635   2.293   2.864
  127   2HB   LYS  73          2HB       LYS  73   4.923   2.205   3.380
  128   1HG   LYS  73          2HG       LYS  73   6.312   0.387   4.336
  129   2HG   LYS  73          1HG       LYS  73   4.962  -0.247   3.350
  130   1HD   LYS  73          2HD       LYS  73   6.996  -1.567   3.006
  131   2HD   LYS  73          1HD       LYS  73   6.535  -0.751   1.478
  132   1HE   LYS  73          2HE       LYS  73   8.335   0.969   1.841
  133   2HE   LYS  73          1HE       LYS  73   8.769   0.173   3.413
  134   1HZ   LYS  73          3HZ       LYS  73   8.839  -1.102   0.728
  135   2HZ   LYS  73          1HZ       LYS  73  10.175  -0.514   1.596
  136   3HZ   LYS  73          2HZ       LYS  73   9.280  -1.824   2.200
  137    H    CYS  74           H        CYS  74   4.621  -0.068  -0.435
  138    HA   CYS  74           HA       CYS  74   1.837  -0.087   0.107
  139   1HB   CYS  74          1HB       CYS  74   3.075  -0.719  -2.108
  140   2HB   CYS  74          2HB       CYS  74   3.480  -2.253  -1.279
  141    H    ASP  75           H        ASP  75   0.859  -2.426   0.667
  142    HA   ASP  75           HA       ASP  75   2.252  -2.967   3.223
  143   1HB   ASP  75          1HB       ASP  75  -0.760  -2.640   2.736
  144   2HB   ASP  75          2HB       ASP  75  -0.002  -3.096   4.300
  145    H    LYS  76           H        LYS  76  -0.012  -4.000   0.703
  146    HA   LYS  76           HA       LYS  76  -0.563  -5.880  -0.132
  147   1HB   LYS  76          2HB       LYS  76   2.100  -6.395   0.439
  148   2HB   LYS  76          1HB       LYS  76   1.289  -7.785   1.208
  149   1HG   LYS  76          2HG       LYS  76   1.072  -6.824  -1.721
  150   2HG   LYS  76          1HG       LYS  76   2.033  -8.217  -1.117
  151   1HD   LYS  76          2HD       LYS  76  -0.133  -9.353  -0.431
  152   2HD   LYS  76          1HD       LYS  76  -1.037  -7.983  -1.177
  153   1HE   LYS  76          2HE       LYS  76   0.123  -8.483  -3.390
  154   2HE   LYS  76          1HE       LYS  76   0.862  -9.949  -2.625
  155   1HZ   LYS  76          2HZ       LYS  76  -1.373 -10.728  -2.147
  156   2HZ   LYS  76          3HZ       LYS  76  -2.042  -9.360  -2.895
  157   3HZ   LYS  76          1HZ       LYS  76  -1.139 -10.471  -3.809
  158    H    LEU  77           H        LEU  77  -1.998  -4.874   2.012
  159    HA   LEU  77           HA       LEU  77  -2.599  -7.097   3.744
  160   1HB   LEU  77          2HB       LEU  77  -4.412  -4.693   3.157
  161   2HB   LEU  77          1HB       LEU  77  -4.524  -5.833   4.533
  162    HG   LEU  77           HG       LEU  77  -2.623  -3.504   4.098
  163   1HD1  LEU  77          2HD2      LEU  77  -4.540  -4.432   6.334
  164   2HD1  LEU  77          3HD2      LEU  77  -3.502  -2.970   6.433
  165   3HD1  LEU  77          1HD2      LEU  77  -4.796  -3.072   5.175
  166   1HD2  LEU  77          2HD1      LEU  77  -2.193  -5.740   6.178
  167   2HD2  LEU  77          3HD1      LEU  77  -1.088  -5.301   4.811
  168   3HD2  LEU  77          1HD1      LEU  77  -1.372  -4.128   6.136
  169    H    ARG  78           H        ARG  78  -4.755  -8.251   3.650
  170    HA   ARG  78           HA       ARG  78  -5.804  -8.260   0.960
  171   1HB   ARG  78          1HB       ARG  78  -6.339  -9.954   3.459
  172   2HB   ARG  78          2HB       ARG  78  -7.244 -10.114   1.925
  173   1HG   ARG  78          2HG       ARG  78  -4.212 -10.563   2.277
  174   2HG   ARG  78          1HG       ARG  78  -5.463 -11.846   2.156
  175   1HD   ARG  78          2HD       ARG  78  -6.027 -11.081  -0.179
  176   2HD   ARG  78          1HD       ARG  78  -4.708  -9.831  -0.079
  177    HE   ARG  78           HE       ARG  78  -3.572 -12.347   0.648
  178   1HH1  ARG  78          1HH1      ARG  78  -5.082 -10.708  -2.138
  179   2HH1  ARG  78          2HH1      ARG  78  -4.183 -11.588  -3.328
  180   1HH2  ARG  78          1HH2      ARG  78  -2.354 -13.536  -0.980
  181   2HH2  ARG  78          2HH2      ARG  78  -2.613 -13.215  -2.663
  182    HA   PRO  79           HA       PRO  79  -7.704  -8.164  -0.122
  183   1HB   PRO  79          1HB       PRO  79  -9.642  -6.436  -1.135
  184   2HB   PRO  79          2HB       PRO  79 -10.036  -8.000  -0.311
  185   1HG   PRO  79          2HG       PRO  79 -10.097  -5.180   0.860
  186   2HG   PRO  79          1HG       PRO  79 -11.280  -6.532   1.098
  187   1HD   PRO  79          2HD       PRO  79  -9.233  -5.909   2.923
  188   2HD   PRO  79          1HD       PRO  79  -9.845  -7.610   2.686
  189    H    HIS  80           H        HIS  80  -8.023  -4.675   0.952
  190    HA   HIS  80           HA       HIS  80  -6.088  -4.011  -1.149
  191   1HB   HIS  80          1HB       HIS  80  -8.327  -2.260   0.003
  192   2HB   HIS  80          2HB       HIS  80  -7.216  -1.830  -1.353
  193    HD1  HIS  80           HD1      HIS  80  -7.350  -4.000  -3.320
  194    HD2  HIS  80           HD2      HIS  80 -10.741  -3.160  -0.993
  195    HE1  HIS  80           HE1      HIS  80  -9.389  -4.999  -4.493
  196    H    CYS  81           H        CYS  81  -4.742  -2.071  -0.654
  197    HA   CYS  81           HA       CYS  81  -3.685  -2.626   1.927
  198   1HB   CYS  81          2HB       CYS  81  -1.688  -1.597   1.247
  199   2HB   CYS  81          1HB       CYS  81  -2.279  -2.424  -0.216
  200    H    GLN  82           H        GLN  82  -2.775  -0.777   3.274
  201    HA   GLN  82           HA       GLN  82  -4.793   0.668   4.304
  202   1HB   GLN  82          1HB       GLN  82  -1.893   1.113   4.538
  203   2HB   GLN  82          2HB       GLN  82  -3.110   1.813   5.648
  204   1HG   GLN  82          2HG       GLN  82  -3.792  -0.431   6.416
  205   2HG   GLN  82          1HG       GLN  82  -2.747  -1.219   5.172
  206   1HE2  GLN  82          2HE2      GLN  82  -0.309  -1.662   7.593
  207   2HE2  GLN  82          1HE2      GLN  82  -1.476  -2.359   6.510
  208    H    GLN  83           H        GLN  83  -2.528   1.733   1.729
  209    HA   GLN  83           HA       GLN  83  -2.928   4.456   1.983
  210   1HB   GLN  83          2HB       GLN  83  -2.280   3.170  -0.423
  211   2HB   GLN  83          1HB       GLN  83  -1.873   4.815   0.075
  212   1HG   GLN  83          2HG       GLN  83  -0.665   2.205   1.252
  213   2HG   GLN  83          1HG       GLN  83   0.160   3.363   0.150
  214   1HE2  GLN  83          2HE2      GLN  83   0.590   5.991   2.556
  215   2HE2  GLN  83          1HE2      GLN  83   0.247   5.699   0.883
  216    H    CYS  84           H        CYS  84  -4.229   2.130  -0.522
  217    HA   CYS  84           HA       CYS  84  -5.963   3.799  -1.562
  218   1HB   CYS  84          2HB       CYS  84  -5.753   0.740  -1.427
  219   2HB   CYS  84          1HB       CYS  84  -6.659   1.635  -2.677
  220    H    THR  85           H        THR  85  -6.474   1.874   1.362
  221    HA   THR  85           HA       THR  85  -9.297   1.745   0.951
  222    HB   THR  85           HB       THR  85  -7.669   1.439   3.514
  223    HG1  THR  85           HG1      THR  85  -7.239  -0.038   1.836
  224   1HG2  THR  85          2HG2      THR  85 -10.605   0.763   2.768
  225   2HG2  THR  85          3HG2      THR  85  -9.763   0.133   4.228
  226   3HG2  THR  85          1HG2      THR  85 -10.066   1.889   4.075
  227    H    LYS  86           H        LYS  86  -6.937   3.956   2.461
  228    HA   LYS  86           HA       LYS  86  -8.938   5.540   3.670
  229   1HB   LYS  86          2HB       LYS  86  -6.547   5.229   4.490
  230   2HB   LYS  86          1HB       LYS  86  -6.160   6.371   3.162
  231   1HG   LYS  86          2HG       LYS  86  -6.278   7.584   5.268
  232   2HG   LYS  86          1HG       LYS  86  -7.656   8.107   4.247
  233   1HD   LYS  86          2HD       LYS  86  -9.176   6.549   5.526
  234   2HD   LYS  86          1HD       LYS  86  -7.783   6.060   6.556
  235   1HE   LYS  86          2HE       LYS  86  -8.900   8.938   6.322
  236   2HE   LYS  86          1HE       LYS  86  -9.257   7.775   7.667
  237   1HZ   LYS  86          1HZ       LYS  86  -6.572   8.795   6.903
  238   2HZ   LYS  86          2HZ       LYS  86  -7.508   9.302   8.230
  239   3HZ   LYS  86          3HZ       LYS  86  -6.917   7.711   8.163
  240    H    THR  87           H        THR  87  -7.202   5.508   0.582
  241    HA   THR  87           HA       THR  87  -7.859   8.155  -0.142
  242    HB   THR  87           HB       THR  87  -7.063   5.725  -1.817
  243    HG1  THR  87           HG1      THR  87  -5.540   6.416  -0.323
  244   1HG2  THR  87          2HG2      THR  87  -7.252   8.731  -2.545
  245   2HG2  THR  87          3HG2      THR  87  -6.345   7.496  -3.499
  246   3HG2  THR  87          1HG2      THR  87  -8.120   7.351  -3.346
  247    H    GLY  88           H        GLY  88  -9.146   4.906  -1.104
  248   1HA   GLY  88          1HA       GLY  88 -11.399   4.510  -1.463
  249   2HA   GLY  88          2HA       GLY  88 -11.628   6.248  -1.924
  250    H    VAL  89           H        VAL  89  -8.793   4.410  -2.793
  251    HA   VAL  89           HA       VAL  89  -9.719   4.039  -5.528
  252    HB   VAL  89           HB       VAL  89  -8.065   5.726  -4.799
  253   1HG1  VAL  89          3HG1      VAL  89  -6.607   3.909  -3.415
  254   2HG1  VAL  89          1HG1      VAL  89  -6.176   3.322  -5.069
  255   3HG1  VAL  89          2HG1      VAL  89  -5.579   4.937  -4.479
  256   1HG2  VAL  89          2HG2      VAL  89  -8.185   5.786  -7.026
  257   2HG2  VAL  89          3HG2      VAL  89  -6.654   6.315  -6.277
  258   3HG2  VAL  89          1HG2      VAL  89  -6.671   4.744  -7.091
  259    H    ALA  90           H        ALA  90 -10.415   2.419  -3.297
  260    HA   ALA  90           HA       ALA  90  -8.370   0.454  -2.875
  261   1HB   ALA  90          3HB       ALA  90 -11.381   0.225  -2.373
  262   2HB   ALA  90          1HB       ALA  90 -10.105  -0.937  -1.841
  263   3HB   ALA  90          2HB       ALA  90 -10.145   0.737  -1.140
  264    H    HIS  91           H        HIS  91 -11.098   0.982  -5.003
  265    HA   HIS  91           HA       HIS  91 -11.145  -1.515  -6.270
  266   1HB   HIS  91          2HB       HIS  91 -11.941  -0.121  -8.223
  267   2HB   HIS  91          1HB       HIS  91 -12.970  -0.141  -6.713
  268    HD1  HIS  91           HD1      HIS  91 -11.314   2.484  -5.496
  269    HD2  HIS  91           HD2      HIS  91 -13.257   2.034  -9.183
  270    HE1  HIS  91           HE1      HIS  91 -11.879   4.815  -6.404
  271    H    LEU  92           H        LEU  92  -9.102   1.365  -6.482
  272    HA   LEU  92           HA       LEU  92  -8.023   0.487  -8.960
  273   1HB   LEU  92          1HB       LEU  92  -7.225   2.726  -7.024
  274   2HB   LEU  92          2HB       LEU  92  -6.596   2.674  -8.631
  275    HG   LEU  92           HG       LEU  92  -8.943   3.980  -7.552
  276   1HD1  LEU  92          1HD1      LEU  92  -7.109   4.964  -9.106
  277   2HD1  LEU  92          2HD1      LEU  92  -7.832   4.041 -10.463
  278   3HD1  LEU  92          3HD1      LEU  92  -8.803   5.311  -9.625
  279   1HD2  LEU  92          2HD2      LEU  92  -9.374   2.295 -10.189
  280   2HD2  LEU  92          3HD2      LEU  92 -10.298   2.069  -8.674
  281   3HD2  LEU  92          1HD2      LEU  92 -10.484   3.592  -9.608
  282    H    CYS  93           H        CYS  93  -7.730  -0.495  -5.979
  283    HA   CYS  93           HA       CYS  93  -4.800  -0.637  -5.910
  284   1HB   CYS  93          1HB       CYS  93  -6.096  -0.321  -3.763
  285   2HB   CYS  93          2HB       CYS  93  -6.777  -1.954  -3.978
  286    H    HIS  94           H        HIS  94  -3.844  -2.116  -7.190
  287    HA   HIS  94           HA       HIS  94  -4.745  -4.848  -6.828
  288   1HB   HIS  94          2HB       HIS  94  -4.040  -3.641  -9.583
  289   2HB   HIS  94          1HB       HIS  94  -4.174  -5.391  -9.189
  290    HD1  HIS  94           HD1      HIS  94  -6.275  -2.255  -9.748
  291    HD2  HIS  94           HD2      HIS  94  -6.892  -6.332  -8.977
  292    HE1  HIS  94           HE1      HIS  94  -8.755  -2.761 -10.097
  293    H    TYR  95           H        TYR  95  -2.971  -6.118  -6.485
  294    HA   TYR  95           HA       TYR  95  -0.438  -4.673  -6.733
  295   1HB   TYR  95          1HB       TYR  95  -0.541  -7.418  -5.471
  296   2HB   TYR  95          2HB       TYR  95   0.675  -6.072  -5.327
  297    HD1  TYR  95           HD2      TYR  95  -2.701  -7.279  -4.527
  298    HD2  TYR  95           HD1      TYR  95   0.328  -4.434  -3.403
  299    HE1  TYR  95           HE2      TYR  95  -4.013  -6.618  -2.560
  300    HE2  TYR  95           HE1      TYR  95  -1.011  -3.777  -1.542
  301    HH   TYR  95           HH       TYR  95  -2.871  -4.001  -0.423
  302    H    MET  96           H        MET  96   0.991  -5.195  -8.262
  303    HA   MET  96           HA       MET  96   0.974  -7.794  -9.402
  304   1HB   MET  96          1HB       MET  96   1.103  -6.353 -11.677
  305   2HB   MET  96          2HB       MET  96  -0.398  -7.234 -11.194
  306   1HG   MET  96          2HG       MET  96  -1.285  -5.072 -10.245
  307   2HG   MET  96          1HG       MET  96   0.211  -4.235 -10.777
  308   1HE   MET  96          2HE       MET  96  -2.688  -3.352 -11.378
  309   2HE   MET  96          3HE       MET  96  -1.285  -2.470 -12.075
  310   3HE   MET  96          1HE       MET  96  -2.670  -2.927 -13.123
  311    H    GLU  97           H        GLU  97   3.060  -8.244  -9.413
  312    HA   GLU  97           HA       GLU  97   4.643  -6.356 -10.951
  313   1HB   GLU  97          1HB       GLU  97   5.793  -8.104  -8.686
  314   2HB   GLU  97          2HB       GLU  97   6.740  -7.175  -9.893
  315   1HG   GLU  97          2HG       GLU  97   5.791  -5.031  -8.978
  316   2HG   GLU  97          1HG       GLU  97   4.885  -5.982  -7.731
  317    H    GLN  98           H        GLN  98   4.201  -9.555  -9.483
  318    HA   GLN  98           HA       GLN  98   4.357 -11.588 -10.111
  319   1HB   GLN  98          2HB       GLN  98   2.520 -10.886 -11.719
  320   2HB   GLN  98          1HB       GLN  98   3.770 -10.763 -13.000
  321   1HG   GLN  98          2HG       GLN  98   4.285 -13.235 -12.688
  322   2HG   GLN  98          1HG       GLN  98   3.043 -13.303 -11.377
  323   1HE2  GLN  98          2HE2      GLN  98   2.014 -13.661 -15.293
  324   2HE2  GLN  98          1HE2      GLN  98   3.626 -13.780 -14.670
  325    H    THR  99           H        THR  99   6.676 -10.988  -9.513
  326    HA   THR  99           HA       THR  99   8.364 -11.895 -11.684
  327    HB   THR  99           HB       THR  99   8.458  -9.405 -11.784
  328    HG1  THR  99           HG1      THR  99  10.687  -9.313 -11.618
  329   1HG2  THR  99          3HG2      THR  99   8.007  -9.015  -9.269
  330   2HG2  THR  99          1HG2      THR  99   9.713  -9.510  -8.955
  331   3HG2  THR  99          2HG2      THR  99   9.367  -8.074  -9.970
  332    H    TRP 100           H        TRP 100   7.306 -11.552  -8.435
  333    HA   TRP 100           HA       TRP 100   9.644 -12.983  -7.444
  334   1HB   TRP 100          1HB       TRP 100   7.324 -11.703  -5.904
  335   2HB   TRP 100          2HB       TRP 100   8.828 -12.405  -5.202
  336    HD1  TRP 100           HD1      TRP 100   7.417  -9.104  -6.100
  337    HE1  TRP 100           HE1      TRP 100   9.262  -7.336  -6.175
  338    HE3  TRP 100           HE3      TRP 100  11.432 -12.207  -6.296
  339    HZ2  TRP 100           HZ2      TRP 100  12.083  -7.279  -6.314
  340    HZ3  TRP 100           HZ3      TRP 100  13.675 -11.234  -6.411
  341    HH2  TRP 100           HH2      TRP 100  14.001  -8.811  -6.411
   
  No H/Q in entry =         341
  Start of MODEL    3
    1   1H    ILE  60          2H        ILE  60  10.410 -11.052  -2.640
    2   2H    ILE  60          3H        ILE  60  10.401 -10.205  -4.111
    3   3H    ILE  60          1H        ILE  60  11.872 -10.532  -3.330
    4    HA   ILE  60           HA       ILE  60  11.275  -9.188  -1.519
    5    HB   ILE  60           HB       ILE  60  12.410  -8.381  -3.652
    6   1HG1  ILE  60          2HG1      ILE  60  12.305  -5.948  -3.217
    7   2HG1  ILE  60          1HG1      ILE  60  10.931  -6.175  -2.099
    8   1HG2  ILE  60          1HG2      ILE  60  10.298  -8.490  -5.071
    9   2HG2  ILE  60          2HG2      ILE  60   9.715  -6.995  -4.229
   10   3HG2  ILE  60          3HG2      ILE  60  11.218  -6.948  -5.210
   11   1HD1  ILE  60          3HD1      ILE  60  13.767  -7.387  -1.754
   12   2HD1  ILE  60          1HD1      ILE  60  13.133  -5.929  -0.902
   13   3HD1  ILE  60          2HD1      ILE  60  12.412  -7.544  -0.575
   14    HA   PRO  61           HA       PRO  61   6.869  -8.686  -1.166
   15   1HB   PRO  61          2HB       PRO  61   7.406  -5.967   0.125
   16   2HB   PRO  61          1HB       PRO  61   6.322  -7.285   0.743
   17   1HG   PRO  61          2HG       PRO  61   8.785  -6.961   1.864
   18   2HG   PRO  61          1HG       PRO  61   8.249  -8.636   1.397
   19   1HD   PRO  61          2HD       PRO  61  10.044  -6.719  -0.185
   20   2HD   PRO  61          1HD       PRO  61  10.296  -8.495   0.130
   21    H    LEU  62           H        LEU  62   5.269  -7.938  -2.567
   22    HA   LEU  62           HA       LEU  62   6.193  -6.081  -4.548
   23   1HB   LEU  62          2HB       LEU  62   3.483  -7.498  -4.289
   24   2HB   LEU  62          1HB       LEU  62   4.050  -6.581  -5.721
   25    HG   LEU  62           HG       LEU  62   5.192  -9.235  -4.668
   26   1HD1  LEU  62          1HD1      LEU  62   3.658  -8.388  -7.194
   27   2HD1  LEU  62          2HD1      LEU  62   4.313 -10.053  -6.899
   28   3HD1  LEU  62          3HD1      LEU  62   3.005  -9.386  -5.840
   29   1HD2  LEU  62          1HD2      LEU  62   6.134  -7.499  -7.043
   30   2HD2  LEU  62          2HD2      LEU  62   7.095  -7.932  -5.577
   31   3HD2  LEU  62          3HD2      LEU  62   6.621  -9.209  -6.752
   32    H    SER  63           H        SER  63   4.777  -4.408  -5.398
   33    HA   SER  63           HA       SER  63   3.210  -3.136  -3.277
   34   1HB   SER  63          1HB       SER  63   3.906  -0.916  -4.343
   35   2HB   SER  63          2HB       SER  63   5.327  -1.815  -3.691
   36    HG   SER  63           HG       SER  63   5.596  -2.675  -5.799
   37    H    CYS  64           H        CYS  64   1.589  -1.559  -4.212
   38    HA   CYS  64           HA       CYS  64   0.343  -2.878  -6.448
   39   1HB   CYS  64          2HB       CYS  64  -1.690  -1.764  -5.968
   40   2HB   CYS  64          1HB       CYS  64  -1.054  -2.365  -4.418
   41    H    THR  65           H        THR  65  -0.913  -1.076  -7.882
   42    HA   THR  65           HA       THR  65   1.311  -0.224  -9.326
   43    HB   THR  65           HB       THR  65  -0.218   0.417 -11.083
   44    HG1  THR  65           HG1      THR  65  -2.238  -0.032  -9.139
   45   1HG2  THR  65          3HG2      THR  65   0.220  -2.092 -10.517
   46   2HG2  THR  65          1HG2      THR  65  -1.360  -2.083  -9.651
   47   3HG2  THR  65          2HG2      THR  65  -1.309  -1.756 -11.415
   48    H    ILE  66           H        ILE  66  -0.781   1.472  -7.067
   49    HA   ILE  66           HA       ILE  66   0.015   4.035  -8.118
   50    HB   ILE  66           HB       ILE  66  -1.149   3.909  -5.468
   51   1HG1  ILE  66          2HG1      ILE  66  -2.745   3.311  -8.042
   52   2HG1  ILE  66          1HG1      ILE  66  -2.527   2.217  -6.625
   53   1HG2  ILE  66          1HG2      ILE  66  -0.380   6.033  -6.600
   54   2HG2  ILE  66          2HG2      ILE  66  -1.503   5.694  -7.963
   55   3HG2  ILE  66          3HG2      ILE  66  -2.147   6.052  -6.317
   56   1HD1  ILE  66          2HD1      ILE  66  -3.653   3.994  -5.171
   57   2HD1  ILE  66          3HD1      ILE  66  -4.099   4.860  -6.691
   58   3HD1  ILE  66          1HD1      ILE  66  -4.705   3.188  -6.387
   59    H    CYS  67           H        CYS  67   0.805   1.797  -5.401
   60    HA   CYS  67           HA       CYS  67   2.327   3.762  -4.047
   61   1HB   CYS  67          1HB       CYS  67   2.258   0.733  -3.791
   62   2HB   CYS  67          2HB       CYS  67   3.338   1.779  -2.815
   63    H    ARG  68           H        ARG  68   3.073   1.586  -6.765
   64    HA   ARG  68           HA       ARG  68   5.881   1.893  -6.308
   65   1HB   ARG  68          1HB       ARG  68   4.694  -0.055  -7.571
   66   2HB   ARG  68          2HB       ARG  68   4.598   1.079  -8.957
   67   1HG   ARG  68          2HG       ARG  68   7.100   1.252  -8.985
   68   2HG   ARG  68          1HG       ARG  68   7.191   0.294  -7.464
   69   1HD   ARG  68          2HD       ARG  68   6.251  -1.704  -8.648
   70   2HD   ARG  68          1HD       ARG  68   6.174  -0.739 -10.194
   71    HE   ARG  68           HE       ARG  68   8.833  -0.551  -9.096
   72   1HH1  ARG  68          1HH1      ARG  68   6.567  -2.867 -10.588
   73   2HH1  ARG  68          2HH1      ARG  68   7.806  -3.831 -11.323
   74   1HH2  ARG  68          1HH2      ARG  68  10.509  -1.865 -10.096
   75   2HH2  ARG  68          2HH2      ARG  68  10.079  -3.253 -11.038
   76    H    LYS  69           H        LYS  69   3.303   3.734  -7.903
   77    HA   LYS  69           HA       LYS  69   5.059   5.052  -9.694
   78   1HB   LYS  69          2HB       LYS  69   2.605   4.676 -10.109
   79   2HB   LYS  69          1HB       LYS  69   2.242   5.864  -8.809
   80   1HG   LYS  69          2HG       LYS  69   3.405   7.658 -10.149
   81   2HG   LYS  69          1HG       LYS  69   3.840   6.430 -11.389
   82   1HD   LYS  69          2HD       LYS  69   1.384   6.014 -11.787
   83   2HD   LYS  69          1HD       LYS  69   0.993   7.306 -10.594
   84   1HE   LYS  69          2HE       LYS  69   2.163   9.000 -12.036
   85   2HE   LYS  69          1HE       LYS  69   2.597   7.695 -13.216
   86   1HZ   LYS  69          2HZ       LYS  69  -0.161   8.487 -12.435
   87   2HZ   LYS  69          3HZ       LYS  69   0.644   8.921 -13.866
   88   3HZ   LYS  69          1HZ       LYS  69   0.268   7.292 -13.563
   89    H    ARG  70           H        ARG  70   3.451   5.814  -6.529
   90    HA   ARG  70           HA       ARG  70   4.525   8.432  -6.500
   91   1HB   ARG  70          1HB       ARG  70   3.270   6.764  -4.265
   92   2HB   ARG  70          2HB       ARG  70   3.438   8.548  -4.271
   93   1HG   ARG  70          2HG       ARG  70   1.659   6.898  -6.164
   94   2HG   ARG  70          1HG       ARG  70   1.121   7.595  -4.610
   95   1HD   ARG  70          2HD       ARG  70   0.294   9.019  -6.366
   96   2HD   ARG  70          1HD       ARG  70   1.628   9.921  -5.538
   97    HE   ARG  70           HE       ARG  70   2.743   8.483  -7.768
   98   1HH1  ARG  70          1HH1      ARG  70   0.441  11.114  -7.052
   99   2HH1  ARG  70          2HH1      ARG  70   0.729  11.965  -8.532
  100   1HH2  ARG  70          1HH2      ARG  70   3.123   9.648  -9.779
  101   2HH2  ARG  70          2HH2      ARG  70   2.273  11.123 -10.101
  102    H    LYS  71           H        LYS  71   5.313   5.203  -5.286
  103    HA   LYS  71           HA       LYS  71   6.948   4.358  -4.304
  104   1HB   LYS  71          1HB       LYS  71   8.442   6.128  -5.506
  105   2HB   LYS  71          2HB       LYS  71   8.499   6.951  -3.922
  106   1HG   LYS  71          2HG       LYS  71  10.476   5.548  -4.224
  107   2HG   LYS  71          1HG       LYS  71   9.480   4.880  -2.887
  108   1HD   LYS  71          2HD       LYS  71  10.435   3.095  -4.298
  109   2HD   LYS  71          1HD       LYS  71   8.643   3.071  -4.366
  110   1HE   LYS  71          2HE       LYS  71   8.716   4.205  -6.623
  111   2HE   LYS  71          1HE       LYS  71  10.527   4.228  -6.535
  112   1HZ   LYS  71          1HZ       LYS  71   8.788   1.815  -6.461
  113   2HZ   LYS  71          2HZ       LYS  71   9.681   2.376  -7.792
  114   3HZ   LYS  71          3HZ       LYS  71  10.486   1.832  -6.399
  115    H    VAL  72           H        VAL  72   4.818   4.551  -3.004
  116    HA   VAL  72           HA       VAL  72   5.470   5.528  -0.336
  117    HB   VAL  72           HB       VAL  72   2.967   4.638  -1.593
  118   1HG1  VAL  72          3HG2      VAL  72   3.443   5.441   1.325
  119   2HG1  VAL  72          1HG2      VAL  72   1.818   5.480   0.540
  120   3HG1  VAL  72          2HG2      VAL  72   2.686   3.922   0.675
  121   1HG2  VAL  72          2HG1      VAL  72   3.756   6.984  -2.222
  122   2HG2  VAL  72          3HG1      VAL  72   2.260   7.059  -1.233
  123   3HG2  VAL  72          1HG1      VAL  72   3.859   7.386  -0.475
  124    H    LYS  73           H        LYS  73   4.938   3.806   1.279
  125    HA   LYS  73           HA       LYS  73   6.071   1.283   0.317
  126   1HB   LYS  73          2HB       LYS  73   5.769   2.527   3.079
  127   2HB   LYS  73          1HB       LYS  73   5.836   0.739   2.907
  128   1HG   LYS  73          2HG       LYS  73   8.062   1.627   3.422
  129   2HG   LYS  73          1HG       LYS  73   8.017   0.819   1.818
  130   1HD   LYS  73          2HD       LYS  73   7.964   3.029   0.676
  131   2HD   LYS  73          1HD       LYS  73   7.944   3.868   2.271
  132   1HE   LYS  73          2HE       LYS  73  10.222   2.935   2.781
  133   2HE   LYS  73          1HE       LYS  73  10.205   2.039   1.205
  134   1HZ   LYS  73          2HZ       LYS  73   9.998   4.159   0.079
  135   2HZ   LYS  73          3HZ       LYS  73  10.060   4.987   1.561
  136   3HZ   LYS  73          1HZ       LYS  73  11.401   4.085   1.034
  137    H    CYS  74           H        CYS  74   4.593   0.111  -0.598
  138    HA   CYS  74           HA       CYS  74   1.913  -0.030   0.197
  139   1HB   CYS  74          1HB       CYS  74   3.089  -0.677  -2.058
  140   2HB   CYS  74          2HB       CYS  74   3.409  -2.244  -1.261
  141    H    ASP  75           H        ASP  75   0.977  -2.502   0.591
  142    HA   ASP  75           HA       ASP  75   2.243  -2.970   3.225
  143   1HB   ASP  75          2HB       ASP  75  -0.758  -2.893   2.561
  144   2HB   ASP  75          1HB       ASP  75  -0.026  -3.378   4.134
  145    H    LYS  76           H        LYS  76  -0.007  -4.195   0.745
  146    HA   LYS  76           HA       LYS  76  -0.458  -6.141  -0.052
  147   1HB   LYS  76          1HB       LYS  76   2.126  -6.707   0.316
  148   2HB   LYS  76          2HB       LYS  76   1.479  -7.727   1.639
  149   1HG   LYS  76          2HG       LYS  76   1.466  -9.266  -0.080
  150   2HG   LYS  76          1HG       LYS  76  -0.174  -8.566  -0.371
  151   1HD   LYS  76          2HD       LYS  76   0.794  -7.072  -2.124
  152   2HD   LYS  76          1HD       LYS  76   2.444  -7.684  -1.763
  153   1HE   LYS  76          2HE       LYS  76   1.542  -8.780  -3.809
  154   2HE   LYS  76          1HE       LYS  76   1.741 -10.001  -2.484
  155   1HZ   LYS  76          3HZ       LYS  76  -0.609  -9.759  -2.006
  156   2HZ   LYS  76          1HZ       LYS  76  -0.780  -8.638  -3.271
  157   3HZ   LYS  76          2HZ       LYS  76  -0.343 -10.243  -3.613
  158    H    LEU  77           H        LEU  77  -1.654  -4.885   2.306
  159    HA   LEU  77           HA       LEU  77  -2.372  -7.185   3.911
  160   1HB   LEU  77          2HB       LEU  77  -3.480  -5.734   5.463
  161   2HB   LEU  77          1HB       LEU  77  -1.858  -5.066   5.070
  162    HG   LEU  77           HG       LEU  77  -3.124  -3.513   3.402
  163   1HD1  LEU  77          3HD1      LEU  77  -5.324  -4.077   5.518
  164   2HD1  LEU  77          1HD1      LEU  77  -5.305  -2.690   4.369
  165   3HD1  LEU  77          2HD1      LEU  77  -5.494  -4.375   3.754
  166   1HD2  LEU  77          2HD2      LEU  77  -1.740  -2.930   5.427
  167   2HD2  LEU  77          3HD2      LEU  77  -3.164  -1.856   5.212
  168   3HD2  LEU  77          1HD2      LEU  77  -3.198  -3.154   6.462
  169    H    ARG  78           H        ARG  78  -4.371  -8.203   3.783
  170    HA   ARG  78           HA       ARG  78  -5.516  -7.838   1.233
  171   1HB   ARG  78          2HB       ARG  78  -6.325  -9.679   3.547
  172   2HB   ARG  78          1HB       ARG  78  -7.058  -9.735   1.907
  173   1HG   ARG  78          2HG       ARG  78  -4.092 -10.278   2.563
  174   2HG   ARG  78          1HG       ARG  78  -5.361 -11.509   2.242
  175   1HD   ARG  78          2HD       ARG  78  -5.654 -10.552  -0.108
  176   2HD   ARG  78          1HD       ARG  78  -4.307  -9.398   0.234
  177    HE   ARG  78           HE       ARG  78  -2.746 -11.168   0.174
  178   1HH1  ARG  78          1HH1      ARG  78  -6.086 -12.428  -0.054
  179   2HH1  ARG  78          2HH1      ARG  78  -5.598 -13.999  -0.598
  180   1HH2  ARG  78          1HH2      ARG  78  -2.114 -13.292  -0.563
  181   2HH2  ARG  78          2HH2      ARG  78  -3.317 -14.494  -0.890
  182    HA   PRO  79           HA       PRO  79  -7.503  -8.095   0.142
  183   1HB   PRO  79          1HB       PRO  79  -9.495  -6.534  -1.042
  184   2HB   PRO  79          2HB       PRO  79  -9.829  -8.036  -0.089
  185   1HG   PRO  79          2HG       PRO  79 -10.069  -5.137   0.810
  186   2HG   PRO  79          1HG       PRO  79 -11.138  -6.545   1.206
  187   1HD   PRO  79          2HD       PRO  79  -9.104  -5.546   2.898
  188   2HD   PRO  79          1HD       PRO  79  -9.651  -7.286   2.919
  189    H    HIS  80           H        HIS  80  -8.167  -4.532   0.594
  190    HA   HIS  80           HA       HIS  80  -6.109  -4.012  -1.413
  191   1HB   HIS  80          1HB       HIS  80  -8.372  -2.246  -0.314
  192   2HB   HIS  80          2HB       HIS  80  -7.253  -1.806  -1.660
  193    HD1  HIS  80           HD1      HIS  80  -7.350  -3.800  -3.709
  194    HD2  HIS  80           HD2      HIS  80 -10.690  -3.477  -1.193
  195    HE1  HIS  80           HE1      HIS  80  -9.313  -4.975  -4.843
  196    H    CYS  81           H        CYS  81  -4.641  -2.167  -0.957
  197    HA   CYS  81           HA       CYS  81  -3.690  -2.616   1.649
  198   1HB   CYS  81          2HB       CYS  81  -1.676  -1.638   1.048
  199   2HB   CYS  81          1HB       CYS  81  -2.248  -2.341  -0.489
  200    H    GLN  82           H        GLN  82  -2.876  -0.816   3.053
  201    HA   GLN  82           HA       GLN  82  -5.077   0.587   3.890
  202   1HB   GLN  82          2HB       GLN  82  -2.396   0.178   4.872
  203   2HB   GLN  82          1HB       GLN  82  -2.846   1.910   5.023
  204   1HG   GLN  82          2HG       GLN  82  -4.944   1.306   6.227
  205   2HG   GLN  82          1HG       GLN  82  -4.548  -0.443   6.081
  206   1HE2  GLN  82          2HE2      GLN  82  -2.563  -0.495   8.955
  207   2HE2  GLN  82          1HE2      GLN  82  -3.602  -1.308   7.834
  208    H    GLN  83           H        GLN  83  -2.764   1.753   1.503
  209    HA   GLN  83           HA       GLN  83  -3.310   4.494   2.058
  210   1HB   GLN  83          2HB       GLN  83  -1.286   3.921   0.768
  211   2HB   GLN  83          1HB       GLN  83  -2.293   3.200  -0.535
  212   1HG   GLN  83          2HG       GLN  83  -3.234   5.424  -1.110
  213   2HG   GLN  83          1HG       GLN  83  -2.497   6.149   0.375
  214   1HE2  GLN  83          2HE2      GLN  83   0.448   7.024  -1.227
  215   2HE2  GLN  83          1HE2      GLN  83  -0.760   7.322  -0.022
  216    H    CYS  84           H        CYS  84  -4.388   2.250  -0.670
  217    HA   CYS  84           HA       CYS  84  -6.291   3.782  -1.599
  218   1HB   CYS  84          1HB       CYS  84  -5.934   0.857  -1.605
  219   2HB   CYS  84          2HB       CYS  84  -6.807   1.780  -2.855
  220    H    THR  85           H        THR  85  -6.556   1.807   1.308
  221    HA   THR  85           HA       THR  85  -9.383   1.444   1.005
  222    HB   THR  85           HB       THR  85  -7.547   1.148   3.427
  223    HG1  THR  85           HG1      THR  85  -7.190  -0.242   1.665
  224   1HG2  THR  85          2HG2      THR  85 -10.494   0.307   2.940
  225   2HG2  THR  85          3HG2      THR  85  -9.471  -0.294   4.298
  226   3HG2  THR  85          1HG2      THR  85  -9.902   1.442   4.217
  227    H    LYS  86           H        LYS  86  -7.077   3.636   2.702
  228    HA   LYS  86           HA       LYS  86  -9.104   5.019   4.064
  229   1HB   LYS  86          2HB       LYS  86  -6.218   5.430   3.694
  230   2HB   LYS  86          1HB       LYS  86  -7.221   6.598   4.615
  231   1HG   LYS  86          2HG       LYS  86  -7.935   4.775   6.162
  232   2HG   LYS  86          1HG       LYS  86  -6.931   3.588   5.256
  233   1HD   LYS  86          2HD       LYS  86  -4.868   4.846   5.849
  234   2HD   LYS  86          1HD       LYS  86  -5.850   6.082   6.713
  235   1HE   LYS  86          2HE       LYS  86  -6.647   4.327   8.332
  236   2HE   LYS  86          1HE       LYS  86  -5.639   3.087   7.474
  237   1HZ   LYS  86          2HZ       LYS  86  -3.693   4.426   7.985
  238   2HZ   LYS  86          3HZ       LYS  86  -4.657   5.551   8.819
  239   3HZ   LYS  86          1HZ       LYS  86  -4.531   3.958   9.388
  240    H    THR  87           H        THR  87  -7.482   5.391   0.917
  241    HA   THR  87           HA       THR  87  -8.256   8.136   0.682
  242    HB   THR  87           HB       THR  87  -7.136   6.106  -1.318
  243    HG1  THR  87           HG1      THR  87  -5.752   6.734   0.338
  244   1HG2  THR  87          2HG2      THR  87  -7.657   9.151  -1.547
  245   2HG2  THR  87          3HG2      THR  87  -6.636   8.194  -2.685
  246   3HG2  THR  87          1HG2      THR  87  -8.392   7.844  -2.561
  247    H    GLY  88           H        GLY  88  -9.079   4.939  -0.787
  248   1HA   GLY  88          1HA       GLY  88 -11.333   4.315  -0.918
  249   2HA   GLY  88          2HA       GLY  88 -11.750   6.022  -1.349
  250    H    VAL  89           H        VAL  89  -8.743   4.789  -2.552
  251    HA   VAL  89           HA       VAL  89  -9.975   4.364  -5.153
  252    HB   VAL  89           HB       VAL  89  -7.819   4.555  -6.207
  253   1HG1  VAL  89          3HG2      VAL  89  -9.230   6.549  -5.900
  254   2HG1  VAL  89          1HG2      VAL  89  -8.452   6.896  -4.318
  255   3HG1  VAL  89          2HG2      VAL  89  -7.475   6.976  -5.826
  256   1HG2  VAL  89          1HG1      VAL  89  -6.724   4.589  -3.322
  257   2HG2  VAL  89          2HG1      VAL  89  -6.241   3.678  -4.807
  258   3HG2  VAL  89          3HG1      VAL  89  -5.851   5.424  -4.666
  259    H    ALA  90           H        ALA  90 -10.415   2.351  -3.250
  260    HA   ALA  90           HA       ALA  90  -8.350   0.445  -3.259
  261   1HB   ALA  90          1HB       ALA  90 -11.358   0.032  -2.854
  262   2HB   ALA  90          2HB       ALA  90 -10.075  -1.193  -2.529
  263   3HB   ALA  90          3HB       ALA  90 -10.135   0.329  -1.548
  264    H    HIS  91           H        HIS  91 -10.711   1.367  -5.558
  265    HA   HIS  91           HA       HIS  91 -10.919  -0.942  -7.116
  266   1HB   HIS  91          1HB       HIS  91 -11.990   0.477  -8.692
  267   2HB   HIS  91          2HB       HIS  91 -12.257   1.251  -7.064
  268    HD1  HIS  91           HD1      HIS  91 -10.576   3.318  -6.448
  269    HD2  HIS  91           HD2      HIS  91 -11.724   2.461 -10.367
  270    HE1  HIS  91           HE1      HIS  91 -10.514   5.506  -7.765
  271    H    LEU  92           H        LEU  92  -8.604   1.746  -6.878
  272    HA   LEU  92           HA       LEU  92  -7.166   0.568  -9.170
  273   1HB   LEU  92          2HB       LEU  92  -6.466   3.141  -7.663
  274   2HB   LEU  92          1HB       LEU  92  -5.661   2.509  -9.143
  275    HG   LEU  92           HG       LEU  92  -8.484   3.625  -8.854
  276   1HD1  LEU  92          3HD1      LEU  92  -6.653   5.277  -9.163
  277   2HD1  LEU  92          1HD1      LEU  92  -6.122   4.424 -10.661
  278   3HD1  LEU  92          2HD1      LEU  92  -7.739   5.221 -10.602
  279   1HD2  LEU  92          3HD2      LEU  92  -7.304   2.062 -11.229
  280   2HD2  LEU  92          1HD2      LEU  92  -8.723   1.611 -10.220
  281   3HD2  LEU  92          2HD2      LEU  92  -8.821   3.055 -11.297
  282    H    CYS  93           H        CYS  93  -7.466  -0.421  -6.333
  283    HA   CYS  93           HA       CYS  93  -4.566  -0.657  -5.803
  284   1HB   CYS  93          1HB       CYS  93  -6.144  -0.228  -3.854
  285   2HB   CYS  93          2HB       CYS  93  -6.771  -1.877  -4.097
  286    H    HIS  94           H        HIS  94  -3.608  -2.188  -7.055
  287    HA   HIS  94           HA       HIS  94  -4.554  -4.854  -6.588
  288   1HB   HIS  94          2HB       HIS  94  -4.031  -3.831  -9.451
  289   2HB   HIS  94          1HB       HIS  94  -4.133  -5.563  -8.956
  290    HD1  HIS  94           HD1      HIS  94  -6.630  -6.274  -7.981
  291    HD2  HIS  94           HD2      HIS  94  -6.470  -2.645 -10.079
  292    HE1  HIS  94           HE1      HIS  94  -9.017  -5.613  -8.611
  293    H    TYR  95           H        TYR  95  -2.808  -6.141  -6.283
  294    HA   TYR  95           HA       TYR  95  -0.233  -4.825  -6.590
  295   1HB   TYR  95          1HB       TYR  95  -0.607  -7.636  -5.483
  296   2HB   TYR  95          2HB       TYR  95   0.764  -6.491  -5.189
  297    HD1  TYR  95           HD1      TYR  95   0.385  -4.550  -3.453
  298    HD2  TYR  95           HD2      TYR  95  -2.574  -7.544  -4.368
  299    HE1  TYR  95           HE1      TYR  95  -0.860  -3.935  -1.526
  300    HE2  TYR  95           HE2      TYR  95  -3.798  -6.901  -2.346
  301    HH   TYR  95           HH       TYR  95  -3.912  -5.515  -0.615
  302    H    MET  96           H        MET  96   1.436  -5.761  -7.897
  303    HA   MET  96           HA       MET  96   0.411  -6.458 -10.353
  304   1HB   MET  96          2HB       MET  96   3.193  -6.496  -9.374
  305   2HB   MET  96          1HB       MET  96   2.712  -6.488 -11.101
  306   1HG   MET  96          2HG       MET  96   1.595  -4.265 -10.753
  307   2HG   MET  96          1HG       MET  96   2.124  -4.253  -9.043
  308   1HE   MET  96          2HE       MET  96   2.444  -1.981 -11.004
  309   2HE   MET  96          3HE       MET  96   3.054  -1.917  -9.313
  310   3HE   MET  96          1HE       MET  96   4.104  -1.389 -10.674
  311    H    GLU  97           H        GLU  97   0.173  -8.358 -11.406
  312    HA   GLU  97           HA       GLU  97   0.206 -10.432 -11.940
  313   1HB   GLU  97          2HB       GLU  97   2.719 -10.396 -11.474
  314   2HB   GLU  97          1HB       GLU  97   2.344 -11.161  -9.891
  315   1HG   GLU  97          2HG       GLU  97   1.281 -13.104 -11.105
  316   2HG   GLU  97          1HG       GLU  97   1.631 -12.290 -12.681
  317    H    GLN  98           H        GLN  98  -1.575 -11.541 -11.519
  318    HA   GLN  98           HA       GLN  98  -2.382 -11.687  -8.714
  319   1HB   GLN  98          2HB       GLN  98  -4.088 -11.853 -11.248
  320   2HB   GLN  98          1HB       GLN  98  -4.697 -11.796  -9.552
  321   1HG   GLN  98          2HG       GLN  98  -3.768  -9.484  -9.289
  322   2HG   GLN  98          1HG       GLN  98  -3.171  -9.526 -10.997
  323   1HE2  GLN  98          2HE2      GLN  98  -6.256  -8.873 -12.517
  324   2HE2  GLN  98          1HE2      GLN  98  -4.552  -9.147 -12.672
  325    H    THR  99           H        THR  99  -0.564 -13.726  -9.937
  326    HA   THR  99           HA       THR  99  -2.410 -15.968 -10.148
  327    HB   THR  99           HB       THR  99  -0.598 -15.735 -11.853
  328    HG1  THR  99           HG1      THR  99  -0.122 -17.923 -11.711
  329   1HG2  THR  99          2HG2      THR  99   1.219 -15.002 -10.133
  330   2HG2  THR  99          3HG2      THR  99   1.292 -16.726  -9.604
  331   3HG2  THR  99          1HG2      THR  99   1.686 -16.296 -11.295
  332    H    TRP 100           H        TRP 100  -0.323 -14.243  -7.993
  333    HA   TRP 100           HA       TRP 100   0.325 -16.414  -6.315
  334   1HB   TRP 100          2HB       TRP 100   0.179 -13.410  -5.700
  335   2HB   TRP 100          1HB       TRP 100   0.962 -14.649  -4.651
  336    HD1  TRP 100           HD1      TRP 100   1.518 -12.833  -8.089
  337    HE1  TRP 100           HE1      TRP 100   4.010 -12.997  -8.649
  338    HE3  TRP 100           HE3      TRP 100   2.919 -15.960  -4.352
  339    HZ2  TRP 100           HZ2      TRP 100   6.291 -14.311  -7.616
  340    HZ3  TRP 100           HZ3      TRP 100   5.270 -16.643  -4.192
  341    HH2  TRP 100           HH2      TRP 100   6.929 -15.834  -5.795
   
  No H/Q in entry =         341
  Start of MODEL    4
    1   1H    ILE  60          3H        ILE  60  12.237  -8.855  -5.392
    2   2H    ILE  60          1H        ILE  60  11.482  -8.299  -6.811
    3   3H    ILE  60          2H        ILE  60  13.084  -7.850  -6.470
    4    HA   ILE  60           HA       ILE  60  12.439  -6.556  -4.681
    5    HB   ILE  60           HB       ILE  60  10.779  -4.971  -5.836
    6   1HG1  ILE  60          2HG1      ILE  60  10.941  -7.035  -8.122
    7   2HG1  ILE  60          1HG1      ILE  60   9.491  -6.748  -7.102
    8   1HG2  ILE  60          1HG2      ILE  60  13.283  -4.896  -5.995
    9   2HG2  ILE  60          2HG2      ILE  60  13.223  -5.970  -7.440
   10   3HG2  ILE  60          3HG2      ILE  60  12.496  -4.323  -7.505
   11   1HD1  ILE  60          2HD1      ILE  60   9.442  -4.346  -7.868
   12   2HD1  ILE  60          3HD1      ILE  60  10.821  -4.697  -8.979
   13   3HD1  ILE  60          1HD1      ILE  60   9.245  -5.535  -9.207
   14    HA   PRO  61           HA       PRO  61   8.632  -7.791  -2.682
   15   1HB   PRO  61          2HB       PRO  61   7.878  -5.497  -1.290
   16   2HB   PRO  61          1HB       PRO  61   9.273  -6.533  -0.772
   17   1HG   PRO  61          2HG       PRO  61   9.350  -3.949  -2.412
   18   2HG   PRO  61          1HG       PRO  61  10.404  -4.428  -1.016
   19   1HD   PRO  61          2HD       PRO  61  11.190  -4.736  -3.661
   20   2HD   PRO  61          1HD       PRO  61  11.661  -5.958  -2.391
   21    H    LEU  62           H        LEU  62   6.298  -7.513  -2.963
   22    HA   LEU  62           HA       LEU  62   5.710  -6.173  -5.413
   23   1HB   LEU  62          1HB       LEU  62   3.878  -7.591  -3.404
   24   2HB   LEU  62          2HB       LEU  62   3.312  -6.889  -4.952
   25    HG   LEU  62           HG       LEU  62   5.331  -9.192  -4.677
   26   1HD1  LEU  62          2HD2      LEU  62   2.367  -9.059  -5.494
   27   2HD1  LEU  62          3HD2      LEU  62   3.409 -10.534  -5.644
   28   3HD1  LEU  62          1HD2      LEU  62   3.041  -9.836  -4.016
   29   1HD2  LEU  62          2HD1      LEU  62   4.090  -7.828  -7.156
   30   2HD2  LEU  62          3HD1      LEU  62   5.842  -7.930  -6.735
   31   3HD2  LEU  62          1HD1      LEU  62   4.943  -9.423  -7.188
   32    H    SER  63           H        SER  63   3.837  -4.780  -5.651
   33    HA   SER  63           HA       SER  63   3.233  -3.049  -3.462
   34   1HB   SER  63          2HB       SER  63   5.579  -2.195  -4.155
   35   2HB   SER  63          1HB       SER  63   4.980  -2.086  -5.853
   36    HG   SER  63           HG       SER  63   4.937  -0.115  -4.756
   37    H    CYS  64           H        CYS  64   1.573  -1.500  -4.183
   38    HA   CYS  64           HA       CYS  64   0.186  -2.711  -6.381
   39   1HB   CYS  64          2HB       CYS  64  -1.793  -1.618  -5.818
   40   2HB   CYS  64          1HB       CYS  64  -1.073  -2.173  -4.284
   41    H    THR  65           H        THR  65  -1.134  -0.983  -7.751
   42    HA   THR  65           HA       THR  65   0.971  -0.245  -9.425
   43    HB   THR  65           HB       THR  65  -0.856   0.358 -11.026
   44    HG1  THR  65           HG1      THR  65  -2.953  -0.114 -10.256
   45   1HG2  THR  65          1HG2      THR  65  -1.148  -2.329  -9.482
   46   2HG2  THR  65          2HG2      THR  65  -1.783  -1.989 -11.126
   47   3HG2  THR  65          3HG2      THR  65  -0.004  -2.002 -10.821
   48    H    ILE  66           H        ILE  66  -0.802   1.590  -7.057
   49    HA   ILE  66           HA       ILE  66  -0.126   4.076  -8.402
   50    HB   ILE  66           HB       ILE  66  -1.128   4.127  -5.682
   51   1HG1  ILE  66          2HG1      ILE  66  -2.911   3.428  -8.102
   52   2HG1  ILE  66          1HG1      ILE  66  -2.603   2.395  -6.657
   53   1HG2  ILE  66          2HG2      ILE  66  -0.393   6.155  -6.984
   54   2HG2  ILE  66          3HG2      ILE  66  -1.611   5.770  -8.250
   55   3HG2  ILE  66          1HG2      ILE  66  -2.143   6.235  -6.591
   56   1HD1  ILE  66          1HD1      ILE  66  -3.591   4.251  -5.205
   57   2HD1  ILE  66          2HD1      ILE  66  -4.157   5.040  -6.727
   58   3HD1  ILE  66          3HD1      ILE  66  -4.735   3.387  -6.289
   59    H    CYS  67           H        CYS  67   0.678   1.995  -5.595
   60    HA   CYS  67           HA       CYS  67   2.218   3.978  -4.354
   61   1HB   CYS  67          1HB       CYS  67   2.093   0.960  -3.932
   62   2HB   CYS  67          2HB       CYS  67   3.126   2.046  -2.950
   63    H    ARG  68           H        ARG  68   3.007   1.686  -6.913
   64    HA   ARG  68           HA       ARG  68   5.803   1.879  -6.376
   65   1HB   ARG  68          2HB       ARG  68   4.518  -0.002  -7.713
   66   2HB   ARG  68          1HB       ARG  68   4.676   1.139  -9.093
   67   1HG   ARG  68          2HG       ARG  68   7.222   1.141  -8.653
   68   2HG   ARG  68          1HG       ARG  68   6.930  -0.041  -7.332
   69   1HD   ARG  68          2HD       ARG  68   7.707  -1.234  -9.330
   70   2HD   ARG  68          1HD       ARG  68   5.947  -1.637  -9.105
   71    HE   ARG  68           HE       ARG  68   5.991   0.643 -10.763
   72   1HH1  ARG  68          1HH1      ARG  68   7.378  -2.645 -10.824
   73   2HH1  ARG  68          2HH1      ARG  68   7.357  -2.777 -12.551
   74   1HH2  ARG  68          1HH2      ARG  68   5.967   0.451 -13.106
   75   2HH2  ARG  68          2HH2      ARG  68   6.544  -0.995 -13.865
   76    H    LYS  69           H        LYS  69   3.352   3.875  -7.970
   77    HA   LYS  69           HA       LYS  69   5.241   5.169  -9.679
   78   1HB   LYS  69          1HB       LYS  69   2.406   6.017  -8.879
   79   2HB   LYS  69          2HB       LYS  69   3.425   6.804 -10.129
   80   1HG   LYS  69          2HG       LYS  69   3.389   4.741 -11.512
   81   2HG   LYS  69          1HG       LYS  69   2.507   3.867 -10.215
   82   1HD   LYS  69          2HD       LYS  69   0.897   4.466 -11.898
   83   2HD   LYS  69          1HD       LYS  69   0.584   5.485 -10.450
   84   1HE   LYS  69          2HE       LYS  69   1.752   7.424 -11.583
   85   2HE   LYS  69          1HE       LYS  69   2.068   6.372 -13.023
   86   1HZ   LYS  69          1HZ       LYS  69  -0.309   6.093 -13.256
   87   2HZ   LYS  69          2HZ       LYS  69  -0.594   7.089 -11.911
   88   3HZ   LYS  69          3HZ       LYS  69   0.130   7.732 -13.306
   89    H    ARG  70           H        ARG  70   3.591   5.823  -6.488
   90    HA   ARG  70           HA       ARG  70   4.724   8.412  -6.355
   91   1HB   ARG  70          2HB       ARG  70   3.897   6.766  -3.941
   92   2HB   ARG  70          1HB       ARG  70   3.868   8.546  -4.101
   93   1HG   ARG  70          2HG       ARG  70   1.964   6.549  -5.495
   94   2HG   ARG  70          1HG       ARG  70   1.652   7.415  -3.986
   95   1HD   ARG  70          2HD       ARG  70   0.428   8.589  -5.662
   96   2HD   ARG  70          1HD       ARG  70   1.879   9.636  -5.357
   97    HE   ARG  70           HE       ARG  70   2.577   7.863  -7.464
   98   1HH1  ARG  70          1HH1      ARG  70   0.122  10.366  -6.792
   99   2HH1  ARG  70          2HH1      ARG  70  -0.034  10.858  -8.446
  100   1HH2  ARG  70          1HH2      ARG  70   2.351   8.535  -9.703
  101   2HH2  ARG  70          2HH2      ARG  70   1.250   9.804 -10.122
  102    H    LYS  71           H        LYS  71   5.586   5.138  -5.371
  103    HA   LYS  71           HA       LYS  71   7.294   4.184  -4.627
  104   1HB   LYS  71          2HB       LYS  71   8.680   5.820  -6.069
  105   2HB   LYS  71          1HB       LYS  71   8.958   6.750  -4.567
  106   1HG   LYS  71          2HG       LYS  71  10.870   5.325  -4.986
  107   2HG   LYS  71          1HG       LYS  71  10.023   4.735  -3.522
  108   1HD   LYS  71          2HD       LYS  71  10.800   2.854  -4.876
  109   2HD   LYS  71          1HD       LYS  71   9.009   2.866  -4.813
  110   1HE   LYS  71          2HE       LYS  71   9.845   2.286  -7.095
  111   2HE   LYS  71          1HE       LYS  71   8.950   3.855  -7.148
  112   1HZ   LYS  71          1HZ       LYS  71  11.069   4.994  -7.034
  113   2HZ   LYS  71          2HZ       LYS  71  11.900   3.513  -7.011
  114   3HZ   LYS  71          3HZ       LYS  71  10.988   3.953  -8.374
  115    H    VAL  72           H        VAL  72   5.475   4.331  -2.919
  116    HA   VAL  72           HA       VAL  72   6.668   5.257  -0.450
  117    HB   VAL  72           HB       VAL  72   4.252   5.169   0.338
  118   1HG1  VAL  72          1HG1      VAL  72   5.499   7.307  -0.038
  119   2HG1  VAL  72          2HG1      VAL  72   4.972   7.320  -1.764
  120   3HG1  VAL  72          3HG1      VAL  72   3.751   7.487  -0.449
  121   1HG2  VAL  72          1HG2      VAL  72   3.662   5.117  -2.698
  122   2HG2  VAL  72          2HG2      VAL  72   3.189   3.893  -1.465
  123   3HG2  VAL  72          3HG2      VAL  72   2.480   5.535  -1.421
  124    H    LYS  73           H        LYS  73   5.862   3.655   1.301
  125    HA   LYS  73           HA       LYS  73   6.272   1.045   0.166
  126   1HB   LYS  73          2HB       LYS  73   5.960   2.026   3.040
  127   2HB   LYS  73          1HB       LYS  73   6.076   0.280   2.617
  128   1HG   LYS  73          2HG       LYS  73   8.172   2.347   1.772
  129   2HG   LYS  73          1HG       LYS  73   8.264   1.432   3.326
  130   1HD   LYS  73          2HD       LYS  73   8.296  -0.721   2.082
  131   2HD   LYS  73          1HD       LYS  73   8.217   0.157   0.514
  132   1HE   LYS  73          2HE       LYS  73  10.511   0.437   2.567
  133   2HE   LYS  73          1HE       LYS  73  10.553  -0.565   1.057
  134   1HZ   LYS  73          3HZ       LYS  73  10.171   1.436  -0.214
  135   2HZ   LYS  73          1HZ       LYS  73  10.146   2.376   1.200
  136   3HZ   LYS  73          2HZ       LYS  73  11.568   1.569   0.742
  137    H    CYS  74           H        CYS  74   4.797  -0.084  -0.598
  138    HA   CYS  74           HA       CYS  74   2.052   0.165   0.134
  139   1HB   CYS  74          1HB       CYS  74   3.043  -0.501  -2.165
  140   2HB   CYS  74          2HB       CYS  74   3.369  -2.103  -1.433
  141    H    ASP  75           H        ASP  75   0.936  -2.252   0.599
  142    HA   ASP  75           HA       ASP  75   2.219  -2.645   3.235
  143   1HB   ASP  75          2HB       ASP  75  -0.770  -2.429   2.593
  144   2HB   ASP  75          1HB       ASP  75  -0.069  -2.729   4.220
  145    H    LYS  76           H        LYS  76   0.167  -3.954   0.668
  146    HA   LYS  76           HA       LYS  76  -0.448  -5.928   0.063
  147   1HB   LYS  76          2HB       LYS  76   1.903  -7.038   1.654
  148   2HB   LYS  76          1HB       LYS  76   0.901  -7.959   0.480
  149   1HG   LYS  76          2HG       LYS  76   1.678  -6.636  -1.391
  150   2HG   LYS  76          1HG       LYS  76   2.371  -5.377  -0.314
  151   1HD   LYS  76          2HD       LYS  76   4.182  -6.652  -1.209
  152   2HD   LYS  76          1HD       LYS  76   4.050  -6.957   0.557
  153   1HE   LYS  76          2HE       LYS  76   3.053  -9.205   0.125
  154   2HE   LYS  76          1HE       LYS  76   2.980  -8.855  -1.652
  155   1HZ   LYS  76          3HZ       LYS  76   5.374  -8.663  -1.655
  156   2HZ   LYS  76          1HZ       LYS  76   5.441  -9.011   0.005
  157   3HZ   LYS  76          2HZ       LYS  76   4.874 -10.183  -1.085
  158    H    LEU  77           H        LEU  77  -2.085  -4.931   1.815
  159    HA   LEU  77           HA       LEU  77  -2.549  -6.974   3.843
  160   1HB   LEU  77          2HB       LEU  77  -4.335  -4.596   3.079
  161   2HB   LEU  77          1HB       LEU  77  -4.513  -5.666   4.507
  162    HG   LEU  77           HG       LEU  77  -2.634  -3.347   4.023
  163   1HD1  LEU  77          1HD2      LEU  77  -4.513  -4.284   6.291
  164   2HD1  LEU  77          2HD2      LEU  77  -3.512  -2.795   6.356
  165   3HD1  LEU  77          3HD2      LEU  77  -4.810  -2.953   5.107
  166   1HD2  LEU  77          2HD1      LEU  77  -2.118  -5.529   6.136
  167   2HD2  LEU  77          3HD1      LEU  77  -1.035  -5.053   4.760
  168   3HD2  LEU  77          1HD1      LEU  77  -1.367  -3.883   6.071
  169    H    ARG  78           H        ARG  78  -4.783  -8.067   3.780
  170    HA   ARG  78           HA       ARG  78  -5.689  -8.282   1.039
  171   1HB   ARG  78          1HB       ARG  78  -6.218  -9.906   3.584
  172   2HB   ARG  78          2HB       ARG  78  -7.018 -10.207   2.011
  173   1HG   ARG  78          2HG       ARG  78  -3.982 -10.348   2.546
  174   2HG   ARG  78          1HG       ARG  78  -5.080 -11.765   2.477
  175   1HD   ARG  78          2HD       ARG  78  -5.506 -11.447   0.095
  176   2HD   ARG  78          1HD       ARG  78  -4.660  -9.855   0.066
  177    HE   ARG  78           HE       ARG  78  -3.392 -12.555   0.311
  178   1HH1  ARG  78          1HH1      ARG  78  -3.018  -8.993   0.243
  179   2HH1  ARG  78          2HH1      ARG  78  -1.318  -9.049  -0.085
  180   1HH2  ARG  78          1HH2      ARG  78  -1.103 -12.593  -0.128
  181   2HH2  ARG  78          2HH2      ARG  78  -0.220 -11.113  -0.297
  182    HA   PRO  79           HA       PRO  79  -7.542  -8.205  -0.120
  183   1HB   PRO  79          1HB       PRO  79  -9.457  -6.499  -1.219
  184   2HB   PRO  79          2HB       PRO  79  -9.865  -8.066  -0.407
  185   1HG   PRO  79          2HG       PRO  79 -10.009  -5.245   0.750
  186   2HG   PRO  79          1HG       PRO  79 -11.181  -6.613   0.949
  187   1HD   PRO  79          2HD       PRO  79  -9.213  -5.948   2.846
  188   2HD   PRO  79          1HD       PRO  79  -9.794  -7.659   2.599
  189    H    HIS  80           H        HIS  80  -8.011  -4.687   0.810
  190    HA   HIS  80           HA       HIS  80  -6.034  -4.046  -1.256
  191   1HB   HIS  80          1HB       HIS  80  -8.289  -2.328  -0.086
  192   2HB   HIS  80          2HB       HIS  80  -7.177  -1.849  -1.423
  193    HD1  HIS  80           HD1      HIS  80  -7.304  -3.826  -3.521
  194    HD2  HIS  80           HD2      HIS  80 -10.650  -3.374  -1.031
  195    HE1  HIS  80           HE1      HIS  80  -9.326  -4.826  -4.720
  196    H    CYS  81           H        CYS  81  -4.743  -2.043  -0.808
  197    HA   CYS  81           HA       CYS  81  -3.597  -2.518   1.750
  198   1HB   CYS  81          2HB       CYS  81  -1.650  -1.548   0.986
  199   2HB   CYS  81          1HB       CYS  81  -2.326  -2.164  -0.537
  200    H    GLN  82           H        GLN  82  -2.788  -0.657   3.036
  201    HA   GLN  82           HA       GLN  82  -4.946   0.558   4.134
  202   1HB   GLN  82          2HB       GLN  82  -2.006   1.364   4.394
  203   2HB   GLN  82          1HB       GLN  82  -3.312   1.838   5.541
  204   1HG   GLN  82          2HG       GLN  82  -3.705  -0.513   6.161
  205   2HG   GLN  82          1HG       GLN  82  -2.559  -1.091   4.891
  206   1HE2  GLN  82          2HE2      GLN  82  -0.289  -1.427   7.530
  207   2HE2  GLN  82          1HE2      GLN  82  -1.457  -2.214   6.509
  208    H    GLN  83           H        GLN  83  -2.888   1.956   1.572
  209    HA   GLN  83           HA       GLN  83  -3.568   4.608   2.253
  210   1HB   GLN  83          1HB       GLN  83  -2.283   3.365  -0.233
  211   2HB   GLN  83          2HB       GLN  83  -2.493   5.129   0.051
  212   1HG   GLN  83          2HG       GLN  83  -1.115   4.964   2.150
  213   2HG   GLN  83          1HG       GLN  83  -0.896   3.193   1.870
  214   1HE2  GLN  83          2HE2      GLN  83   2.097   3.903   0.213
  215   2HE2  GLN  83          1HE2      GLN  83   1.286   3.146   1.542
  216    H    CYS  84           H        CYS  84  -4.496   2.391  -0.577
  217    HA   CYS  84           HA       CYS  84  -6.406   4.008  -1.484
  218   1HB   CYS  84          2HB       CYS  84  -5.977   0.971  -1.624
  219   2HB   CYS  84          1HB       CYS  84  -6.858   1.946  -2.835
  220    H    THR  85           H        THR  85  -6.602   1.845   1.298
  221    HA   THR  85           HA       THR  85  -9.434   1.484   0.981
  222    HB   THR  85           HB       THR  85  -7.604   1.013   3.377
  223    HG1  THR  85           HG1      THR  85  -8.794  -0.679   1.438
  224   1HG2  THR  85          3HG2      THR  85 -10.568   0.267   2.839
  225   2HG2  THR  85          1HG2      THR  85  -9.556  -0.464   4.135
  226   3HG2  THR  85          2HG2      THR  85  -9.950   1.283   4.203
  227    H    LYS  86           H        LYS  86  -7.127   3.671   2.605
  228    HA   LYS  86           HA       LYS  86  -9.101   4.946   4.151
  229   1HB   LYS  86          1HB       LYS  86  -6.662   4.726   4.748
  230   2HB   LYS  86          2HB       LYS  86  -6.422   5.980   3.489
  231   1HG   LYS  86          2HG       LYS  86  -6.390   6.990   5.717
  232   2HG   LYS  86          1HG       LYS  86  -7.831   7.584   4.836
  233   1HD   LYS  86          2HD       LYS  86  -9.262   5.941   6.102
  234   2HD   LYS  86          1HD       LYS  86  -7.791   5.290   6.906
  235   1HE   LYS  86          2HE       LYS  86  -9.004   6.843   8.425
  236   2HE   LYS  86          1HE       LYS  86  -7.403   7.561   7.970
  237   1HZ   LYS  86          2HZ       LYS  86  -8.538   8.865   6.297
  238   2HZ   LYS  86          3HZ       LYS  86 -10.035   8.195   6.738
  239   3HZ   LYS  86          1HZ       LYS  86  -9.176   9.154   7.844
  240    H    THR  87           H        THR  87  -7.640   5.485   0.925
  241    HA   THR  87           HA       THR  87  -8.667   8.141   0.760
  242    HB   THR  87           HB       THR  87  -7.449   6.253  -1.317
  243    HG1  THR  87           HG1      THR  87  -6.469   8.502   0.102
  244   1HG2  THR  87          3HG2      THR  87  -8.227   9.254  -1.453
  245   2HG2  THR  87          1HG2      THR  87  -7.157   8.410  -2.638
  246   3HG2  THR  87          2HG2      THR  87  -8.870   7.914  -2.489
  247    H    GLY  88           H        GLY  88  -9.295   4.946  -0.804
  248   1HA   GLY  88          1HA       GLY  88 -11.524   4.205  -1.003
  249   2HA   GLY  88          2HA       GLY  88 -12.008   5.904  -1.399
  250    H    VAL  89           H        VAL  89  -8.902   4.829  -2.547
  251    HA   VAL  89           HA       VAL  89 -10.045   4.408  -5.180
  252    HB   VAL  89           HB       VAL  89  -7.904   4.663  -6.186
  253   1HG1  VAL  89          3HG2      VAL  89  -9.312   6.660  -5.784
  254   2HG1  VAL  89          1HG2      VAL  89  -8.491   6.934  -4.207
  255   3HG1  VAL  89          2HG2      VAL  89  -7.551   7.058  -5.733
  256   1HG2  VAL  89          3HG1      VAL  89  -6.815   4.614  -3.299
  257   2HG2  VAL  89          1HG1      VAL  89  -6.324   3.742  -4.810
  258   3HG2  VAL  89          2HG1      VAL  89  -5.941   5.485  -4.621
  259    H    ALA  90           H        ALA  90 -10.516   2.366  -3.301
  260    HA   ALA  90           HA       ALA  90  -8.369   0.537  -3.256
  261   1HB   ALA  90          1HB       ALA  90 -11.344  -0.014  -2.787
  262   2HB   ALA  90          3HB       ALA  90  -9.980  -1.143  -2.438
  263   3HB   ALA  90          2HB       ALA  90 -10.122   0.408  -1.516
  264    H    HIS  91           H        HIS  91 -10.722   1.330  -5.602
  265    HA   HIS  91           HA       HIS  91 -10.843  -1.056  -7.093
  266   1HB   HIS  91          2HB       HIS  91 -11.218   0.529  -9.040
  267   2HB   HIS  91          1HB       HIS  91 -12.448   0.588  -7.700
  268    HD1  HIS  91           HD1      HIS  91 -11.665   2.802  -5.930
  269    HD2  HIS  91           HD2      HIS  91 -11.042   2.946 -10.071
  270    HE1  HIS  91           HE1      HIS  91 -11.541   5.257  -6.632
  271    H    LEU  92           H        LEU  92  -8.583   1.731  -6.904
  272    HA   LEU  92           HA       LEU  92  -7.091   0.638  -9.113
  273   1HB   LEU  92          1HB       LEU  92  -6.594   3.088  -7.314
  274   2HB   LEU  92          2HB       LEU  92  -5.743   2.712  -8.845
  275    HG   LEU  92           HG       LEU  92  -8.677   3.497  -8.455
  276   1HD1  LEU  92          2HD1      LEU  92  -7.109   5.398  -8.420
  277   2HD1  LEU  92          3HD1      LEU  92  -6.399   4.880  -9.997
  278   3HD1  LEU  92          1HD1      LEU  92  -8.119   5.427  -9.915
  279   1HD2  LEU  92          3HD2      LEU  92  -7.273   2.476 -10.998
  280   2HD2  LEU  92          1HD2      LEU  92  -8.651   1.720 -10.115
  281   3HD2  LEU  92          2HD2      LEU  92  -8.894   3.290 -10.976
  282    H    CYS  93           H        CYS  93  -7.431  -0.411  -6.275
  283    HA   CYS  93           HA       CYS  93  -4.533  -0.642  -5.703
  284   1HB   CYS  93          1HB       CYS  93  -6.112  -0.082  -3.800
  285   2HB   CYS  93          2HB       CYS  93  -6.759  -1.740  -3.932
  286    H    HIS  94           H        HIS  94  -3.688  -2.192  -7.079
  287    HA   HIS  94           HA       HIS  94  -4.573  -4.842  -6.354
  288   1HB   HIS  94          2HB       HIS  94  -4.113  -3.961  -9.275
  289   2HB   HIS  94          1HB       HIS  94  -4.205  -5.670  -8.704
  290    HD1  HIS  94           HD1      HIS  94  -6.659  -6.267  -7.509
  291    HD2  HIS  94           HD2      HIS  94  -6.569  -2.851  -9.943
  292    HE1  HIS  94           HE1      HIS  94  -9.070  -5.632  -8.077
  293    H    TYR  95           H        TYR  95  -2.774  -6.139  -6.080
  294    HA   TYR  95           HA       TYR  95  -0.260  -4.719  -6.346
  295   1HB   TYR  95          1HB       TYR  95  -0.590  -7.582  -5.318
  296   2HB   TYR  95          2HB       TYR  95   0.810  -6.457  -5.048
  297    HD1  TYR  95           HD1      TYR  95   0.523  -4.530  -3.333
  298    HD2  TYR  95           HD2      TYR  95  -2.559  -7.420  -4.174
  299    HE1  TYR  95           HE1      TYR  95  -0.732  -3.778  -1.445
  300    HE2  TYR  95           HE2      TYR  95  -3.799  -6.623  -2.216
  301    HH   TYR  95           HH       TYR  95  -3.863  -5.163  -0.543
  302    H    MET  96           H        MET  96   1.501  -5.591  -7.586
  303    HA   MET  96           HA       MET  96   0.664  -6.638 -10.044
  304   1HB   MET  96          1HB       MET  96   3.382  -6.233  -8.977
  305   2HB   MET  96          2HB       MET  96   3.001  -6.547 -10.703
  306   1HG   MET  96          2HG       MET  96   1.672  -4.451 -10.809
  307   2HG   MET  96          1HG       MET  96   1.979  -4.127  -9.079
  308   1HE   MET  96          1HE       MET  96   2.636  -1.875  -9.349
  309   2HE   MET  96          2HE       MET  96   3.772  -1.219 -10.574
  310   3HE   MET  96          3HE       MET  96   2.256  -2.020 -11.100
  311    H    GLU  97           H        GLU  97   1.678  -8.595 -11.098
  312    HA   GLU  97           HA       GLU  97   1.179 -10.755  -9.342
  313   1HB   GLU  97          1HB       GLU  97   1.471 -12.231 -11.267
  314   2HB   GLU  97          2HB       GLU  97   0.432 -10.838 -11.707
  315   1HG   GLU  97          2HG       GLU  97   2.394  -9.756 -12.871
  316   2HG   GLU  97          1HG       GLU  97   3.432 -11.177 -12.450
  317    H    GLN  98           H        GLN  98   2.557 -12.638  -9.059
  318    HA   GLN  98           HA       GLN  98   5.379 -12.061  -8.875
  319   1HB   GLN  98          1HB       GLN  98   3.761 -14.671  -8.613
  320   2HB   GLN  98          2HB       GLN  98   5.540 -14.547  -8.374
  321   1HG   GLN  98          2HG       GLN  98   5.177 -13.001  -6.430
  322   2HG   GLN  98          1HG       GLN  98   3.389 -13.123  -6.665
  323   1HE2  GLN  98          2HE2      GLN  98   5.447 -15.971  -4.602
  324   2HE2  GLN  98          1HE2      GLN  98   6.112 -14.449  -5.096
  325    H    THR  99           H        THR  99   6.407 -11.855 -10.810
  326    HA   THR  99           HA       THR  99   5.214 -13.028 -13.120
  327    HB   THR  99           HB       THR  99   6.006 -10.880 -13.541
  328    HG1  THR  99           HG1      THR  99   7.687 -11.263 -14.996
  329   1HG2  THR  99          2HG2      THR  99   8.684 -11.707 -12.216
  330   2HG2  THR  99          3HG2      THR  99   8.347 -10.147 -13.045
  331   3HG2  THR  99          1HG2      THR  99   7.451 -10.566 -11.547
  332    H    TRP 100           H        TRP 100   5.857 -14.738 -14.273
  333    HA   TRP 100           HA       TRP 100   7.097 -16.618 -12.598
  334   1HB   TRP 100          1HB       TRP 100   6.363 -17.208 -15.479
  335   2HB   TRP 100          2HB       TRP 100   6.150 -18.249 -14.025
  336    HD1  TRP 100           HD1      TRP 100   4.172 -16.787 -12.176
  337    HE1  TRP 100           HE1      TRP 100   2.026 -15.585 -12.899
  338    HE3  TRP 100           HE3      TRP 100   5.083 -16.501 -17.162
  339    HZ2  TRP 100           HZ2      TRP 100   0.767 -14.855 -15.323
  340    HZ3  TRP 100           HZ3      TRP 100   3.377 -15.535 -18.629
  341    HH2  TRP 100           HH2      TRP 100   1.253 -14.726 -17.729
   
  No H/Q in entry =         341
  Start of MODEL    5
    1   1H    ILE  60          2H        ILE  60   4.923  -5.666   1.665
    2   2H    ILE  60          3H        ILE  60   5.248  -7.123   2.476
    3   3H    ILE  60          1H        ILE  60   5.387  -5.643   3.299
    4    HA   ILE  60           HA       ILE  60   7.159  -4.995   1.912
    5    HB   ILE  60           HB       ILE  60   7.706  -7.589   3.172
    6   1HG1  ILE  60          2HG1      ILE  60   6.580  -6.092   4.756
    7   2HG1  ILE  60          1HG1      ILE  60   8.299  -6.328   5.176
    8   1HG2  ILE  60          2HG2      ILE  60   9.544  -5.276   2.300
    9   2HG2  ILE  60          3HG2      ILE  60  10.037  -6.557   3.466
   10   3HG2  ILE  60          1HG2      ILE  60   9.635  -7.003   1.780
   11   1HD1  ILE  60          1HD1      ILE  60   8.869  -4.076   4.212
   12   2HD1  ILE  60          2HD1      ILE  60   7.131  -3.818   3.800
   13   3HD1  ILE  60          3HD1      ILE  60   7.638  -3.970   5.519
   14    HA   PRO  61           HA       PRO  61   7.872  -8.004  -1.541
   15   1HB   PRO  61          2HB       PRO  61   6.180 -10.211  -1.911
   16   2HB   PRO  61          1HB       PRO  61   7.765 -10.306  -1.037
   17   1HG   PRO  61          2HG       PRO  61   4.962 -10.036   0.152
   18   2HG   PRO  61          1HG       PRO  61   6.326 -11.095   0.704
   19   1HD   PRO  61          2HD       PRO  61   5.757  -8.663   1.904
   20   2HD   PRO  61          1HD       PRO  61   7.478  -9.232   1.691
   21    H    LEU  62           H        LEU  62   7.103  -6.789  -3.138
   22    HA   LEU  62           HA       LEU  62   5.879  -5.830  -4.590
   23   1HB   LEU  62          2HB       LEU  62   3.428  -7.366  -3.617
   24   2HB   LEU  62          1HB       LEU  62   3.508  -6.359  -5.086
   25    HG   LEU  62           HG       LEU  62   5.066  -8.960  -4.605
   26   1HD1  LEU  62          3HD1      LEU  62   2.645  -8.203  -6.353
   27   2HD1  LEU  62          1HD1      LEU  62   3.540  -9.772  -6.473
   28   3HD1  LEU  62          2HD1      LEU  62   2.671  -9.333  -4.953
   29   1HD2  LEU  62          1HD2      LEU  62   5.038  -7.072  -7.048
   30   2HD2  LEU  62          2HD2      LEU  62   6.455  -7.482  -6.011
   31   3HD2  LEU  62          3HD2      LEU  62   5.699  -8.748  -7.040
   32    H    SER  63           H        SER  63   4.353  -4.242  -5.070
   33    HA   SER  63           HA       SER  63   3.031  -2.988  -2.791
   34   1HB   SER  63          1HB       SER  63   3.675  -0.723  -3.819
   35   2HB   SER  63          2HB       SER  63   5.141  -1.620  -3.266
   36    HG   SER  63           HG       SER  63   4.055  -1.558  -5.887
   37    H    CYS  64           H        CYS  64   1.420  -1.301  -3.892
   38    HA   CYS  64           HA       CYS  64   0.265  -2.778  -6.105
   39   1HB   CYS  64          2HB       CYS  64  -1.766  -1.628  -5.957
   40   2HB   CYS  64          1HB       CYS  64  -1.323  -2.193  -4.330
   41    H    THR  65           H        THR  65  -0.779  -1.173  -7.864
   42    HA   THR  65           HA       THR  65   1.567  -0.514  -9.198
   43    HB   THR  65           HB       THR  65   0.316  -0.885 -10.990
   44    HG1  THR  65           HG1      THR  65  -1.231   0.634 -11.572
   45   1HG2  THR  65          3HG2      THR  65  -2.135  -0.729  -9.089
   46   2HG2  THR  65          1HG2      THR  65  -2.146  -1.348 -10.771
   47   3HG2  THR  65          2HG2      THR  65  -1.206  -2.222  -9.522
   48    H    ILE  66           H        ILE  66  -0.796   1.434  -7.460
   49    HA   ILE  66           HA       ILE  66   0.148   3.891  -8.588
   50    HB   ILE  66           HB       ILE  66  -1.288   4.045  -6.092
   51   1HG1  ILE  66          2HG1      ILE  66  -2.668   2.841  -8.580
   52   2HG1  ILE  66          1HG1      ILE  66  -2.415   2.022  -6.991
   53   1HG2  ILE  66          2HG2      ILE  66  -0.605   5.955  -7.577
   54   2HG2  ILE  66          3HG2      ILE  66  -1.636   5.290  -8.895
   55   3HG2  ILE  66          1HG2      ILE  66  -2.389   5.889  -7.366
   56   1HD1  ILE  66          2HD1      ILE  66  -3.784   3.788  -5.862
   57   2HD1  ILE  66          3HD1      ILE  66  -4.226   4.447  -7.488
   58   3HD1  ILE  66          1HD1      ILE  66  -4.691   2.764  -7.031
   59    H    CYS  67           H        CYS  67   0.677   1.854  -5.741
   60    HA   CYS  67           HA       CYS  67   1.986   3.880  -4.245
   61   1HB   CYS  67          1HB       CYS  67   1.659   0.875  -3.995
   62   2HB   CYS  67          2HB       CYS  67   2.811   1.711  -2.926
   63    H    ARG  68           H        ARG  68   2.958   1.656  -6.781
   64    HA   ARG  68           HA       ARG  68   5.721   1.874  -6.134
   65   1HB   ARG  68          2HB       ARG  68   4.618  -0.049  -7.474
   66   2HB   ARG  68          1HB       ARG  68   4.445   1.116  -8.825
   67   1HG   ARG  68          2HG       ARG  68   6.373  -0.364  -9.149
   68   2HG   ARG  68          1HG       ARG  68   6.953   1.319  -8.957
   69   1HD   ARG  68          2HD       ARG  68   7.619   0.846  -6.588
   70   2HD   ARG  68          1HD       ARG  68   6.969  -0.833  -6.719
   71    HE   ARG  68           HE       ARG  68   9.440   0.267  -7.981
   72   1HH1  ARG  68          1HH1      ARG  68   7.101  -2.430  -7.760
   73   2HH1  ARG  68          2HH1      ARG  68   8.195  -3.608  -8.406
   74   1HH2  ARG  68          1HH2      ARG  68  10.895  -1.336  -8.844
   75   2HH2  ARG  68          2HH2      ARG  68  10.375  -2.979  -9.030
   76    H    LYS  69           H        LYS  69   3.269   3.701  -7.905
   77    HA   LYS  69           HA       LYS  69   5.082   5.047  -9.564
   78   1HB   LYS  69          2HB       LYS  69   2.643   4.691 -10.078
   79   2HB   LYS  69          1HB       LYS  69   2.240   5.883  -8.795
   80   1HG   LYS  69          2HG       LYS  69   2.085   6.935 -10.970
   81   2HG   LYS  69          1HG       LYS  69   3.471   7.669 -10.103
   82   1HD   LYS  69          2HD       LYS  69   5.054   6.256 -11.436
   83   2HD   LYS  69          1HD       LYS  69   3.660   5.448 -12.240
   84   1HE   LYS  69          2HE       LYS  69   2.973   7.643 -13.254
   85   2HE   LYS  69          1HE       LYS  69   4.378   8.452 -12.441
   86   1HZ   LYS  69          1HZ       LYS  69   4.534   6.218 -14.398
   87   2HZ   LYS  69          2HZ       LYS  69   4.855   7.856 -14.709
   88   3HZ   LYS  69          3HZ       LYS  69   5.847   6.985 -13.641
   89    H    ARG  70           H        ARG  70   3.365   5.933  -6.425
   90    HA   ARG  70           HA       ARG  70   4.670   8.441  -6.408
   91   1HB   ARG  70          2HB       ARG  70   3.739   7.157  -3.839
   92   2HB   ARG  70          1HB       ARG  70   3.640   8.873  -4.345
   93   1HG   ARG  70          2HG       ARG  70   1.863   6.518  -5.223
   94   2HG   ARG  70          1HG       ARG  70   1.436   7.840  -4.133
   95   1HD   ARG  70          2HD       ARG  70   1.671   9.482  -6.092
   96   2HD   ARG  70          1HD       ARG  70   1.858   8.048  -7.187
   97    HE   ARG  70           HE       ARG  70  -0.438   7.605  -5.556
   98   1HH1  ARG  70          1HH1      ARG  70   0.751   9.907  -8.009
   99   2HH1  ARG  70          2HH1      ARG  70  -0.827  10.348  -8.572
  100   1HH2  ARG  70          1HH2      ARG  70  -2.576   8.213  -6.328
  101   2HH2  ARG  70          2HH2      ARG  70  -2.743   9.372  -7.603
  102    H    LYS  71           H        LYS  71   5.213   5.188  -5.147
  103    HA   LYS  71           HA       LYS  71   6.839   4.160  -4.277
  104   1HB   LYS  71          2HB       LYS  71   8.468   5.502  -5.689
  105   2HB   LYS  71          1HB       LYS  71   8.735   6.536  -4.244
  106   1HG   LYS  71          2HG       LYS  71   8.880   3.733  -3.418
  107   2HG   LYS  71          1HG       LYS  71   9.819   3.913  -4.922
  108   1HD   LYS  71          2HD       LYS  71  11.129   5.793  -3.854
  109   2HD   LYS  71          1HD       LYS  71  10.094   5.650  -2.385
  110   1HE   LYS  71          2HE       LYS  71  12.292   4.519  -2.026
  111   2HE   LYS  71          1HE       LYS  71  10.946   3.305  -2.016
  112   1HZ   LYS  71          2HZ       LYS  71  11.467   2.800  -4.307
  113   2HZ   LYS  71          3HZ       LYS  71  12.730   3.936  -4.310
  114   3HZ   LYS  71          1HZ       LYS  71  12.819   2.571  -3.304
  115    H    VAL  72           H        VAL  72   5.347   4.045  -2.623
  116    HA   VAL  72           HA       VAL  72   6.334   5.161  -0.148
  117    HB   VAL  72           HB       VAL  72   3.844   4.740   0.543
  118   1HG1  VAL  72          1HG1      VAL  72   5.029   6.946   0.678
  119   2HG1  VAL  72          2HG1      VAL  72   4.652   7.262  -1.059
  120   3HG1  VAL  72          3HG1      VAL  72   3.319   7.168   0.150
  121   1HG2  VAL  72          1HG2      VAL  72   3.079   3.818  -1.667
  122   2HG2  VAL  72          2HG2      VAL  72   2.144   5.268  -1.173
  123   3HG2  VAL  72          3HG2      VAL  72   3.402   5.414  -2.444
  124    H    LYS  73           H        LYS  73   5.918   3.482   1.573
  125    HA   LYS  73           HA       LYS  73   6.199   0.904   0.327
  126   1HB   LYS  73          2HB       LYS  73   6.355   1.786   3.245
  127   2HB   LYS  73          1HB       LYS  73   6.478   0.065   2.725
  128   1HG   LYS  73          2HG       LYS  73   8.299   2.292   1.662
  129   2HG   LYS  73          1HG       LYS  73   8.702   1.282   3.105
  130   1HD   LYS  73          2HD       LYS  73   8.654  -0.769   1.694
  131   2HD   LYS  73          1HD       LYS  73   8.224   0.213   0.248
  132   1HE   LYS  73          2HE       LYS  73  10.387   1.463   0.423
  133   2HE   LYS  73          1HE       LYS  73  10.846   0.458   1.859
  134   1HZ   LYS  73          1HZ       LYS  73  10.673  -1.496   0.469
  135   2HZ   LYS  73          2HZ       LYS  73  10.249  -0.548  -0.875
  136   3HZ   LYS  73          3HZ       LYS  73  11.785  -0.382  -0.169
  137    H    CYS  74           H        CYS  74   4.672  -0.274  -0.182
  138    HA   CYS  74           HA       CYS  74   2.059   0.109   1.005
  139   1HB   CYS  74          2HB       CYS  74   2.219   0.438  -1.313
  140   2HB   CYS  74          1HB       CYS  74   3.112  -1.040  -1.607
  141    H    ASP  75           H        ASP  75   0.786  -2.261   0.894
  142    HA   ASP  75           HA       ASP  75   2.162  -2.865   3.381
  143   1HB   ASP  75          2HB       ASP  75  -0.814  -2.726   2.647
  144   2HB   ASP  75          1HB       ASP  75  -0.190  -3.154   4.284
  145    H    LYS  76           H        LYS  76  -0.193  -4.363   1.125
  146    HA   LYS  76           HA       LYS  76  -0.805  -6.401   0.728
  147   1HB   LYS  76          1HB       LYS  76   1.777  -7.368   2.071
  148   2HB   LYS  76          2HB       LYS  76   0.479  -8.471   1.532
  149   1HG   LYS  76          2HG       LYS  76   1.819  -6.516  -0.420
  150   2HG   LYS  76          1HG       LYS  76   2.434  -8.167  -0.049
  151   1HD   LYS  76          2HD       LYS  76   0.173  -9.114  -0.604
  152   2HD   LYS  76          1HD       LYS  76  -0.333  -7.503  -1.215
  153   1HE   LYS  76          2HE       LYS  76   1.408  -7.600  -2.977
  154   2HE   LYS  76          1HE       LYS  76   2.086  -9.127  -2.268
  155   1HZ   LYS  76          2HZ       LYS  76  -0.011 -10.202  -2.710
  156   2HZ   LYS  76          3HZ       LYS  76  -0.647  -8.776  -3.381
  157   3HZ   LYS  76          1HZ       LYS  76   0.661  -9.557  -4.131
  158    H    LEU  77           H        LEU  77  -2.421  -5.432   2.191
  159    HA   LEU  77           HA       LEU  77  -2.602  -6.875   4.728
  160   1HB   LEU  77          1HB       LEU  77  -4.588  -4.926   3.375
  161   2HB   LEU  77          2HB       LEU  77  -4.766  -5.671   5.000
  162    HG   LEU  77           HG       LEU  77  -2.963  -3.404   4.070
  163   1HD1  LEU  77          1HD2      LEU  77  -4.881  -3.883   6.444
  164   2HD1  LEU  77          2HD2      LEU  77  -3.899  -2.399   6.208
  165   3HD1  LEU  77          3HD2      LEU  77  -5.172  -2.838   5.001
  166   1HD2  LEU  77          1HD1      LEU  77  -2.466  -5.148   6.553
  167   2HD2  LEU  77          2HD1      LEU  77  -1.384  -4.909   5.122
  168   3HD2  LEU  77          3HD1      LEU  77  -1.714  -3.526   6.232
  169    H    ARG  78           H        ARG  78  -3.598  -6.580   1.474
  170    HA   ARG  78           HA       ARG  78  -4.821  -7.338   0.101
  171   1HB   ARG  78          1HB       ARG  78  -5.085 -10.041   1.381
  172   2HB   ARG  78          2HB       ARG  78  -4.996  -9.453  -0.336
  173   1HG   ARG  78          2HG       ARG  78  -2.624  -8.803  -0.037
  174   2HG   ARG  78          1HG       ARG  78  -2.646  -9.519   1.616
  175   1HD   ARG  78          2HD       ARG  78  -3.243 -11.767   0.631
  176   2HD   ARG  78          1HD       ARG  78  -3.164 -11.026  -1.032
  177    HE   ARG  78           HE       ARG  78  -0.738 -10.475   0.476
  178   1HH1  ARG  78          1HH1      ARG  78  -2.511 -13.010  -1.300
  179   2HH1  ARG  78          2HH1      ARG  78  -1.087 -13.859  -1.801
  180   1HH2  ARG  78          1HH2      ARG  78   1.187 -11.634  -0.206
  181   2HH2  ARG  78          2HH2      ARG  78   1.046 -13.066  -1.170
  182    HA   PRO  79           HA       PRO  79  -6.498  -7.958  -1.381
  183   1HB   PRO  79          2HB       PRO  79  -8.745  -6.669  -2.464
  184   2HB   PRO  79          1HB       PRO  79  -8.705  -8.422  -2.010
  185   1HG   PRO  79          2HG       PRO  79  -9.799  -6.072  -0.390
  186   2HG   PRO  79          1HG       PRO  79 -10.527  -7.716  -0.628
  187   1HD   PRO  79          2HD       PRO  79  -9.071  -7.010   1.640
  188   2HD   PRO  79          1HD       PRO  79  -8.974  -8.692   0.934
  189    H    HIS  80           H        HIS  80  -7.811  -4.948   0.262
  190    HA   HIS  80           HA       HIS  80  -6.292  -3.381  -1.627
  191   1HB   HIS  80          2HB       HIS  80  -7.935  -2.183   0.570
  192   2HB   HIS  80          1HB       HIS  80  -7.784  -1.649  -1.116
  193    HD1  HIS  80           HD1      HIS  80  -8.908  -3.943  -2.796
  194    HD2  HIS  80           HD2      HIS  80 -10.547  -2.696   0.844
  195    HE1  HIS  80           HE1      HIS  80 -11.363  -4.666  -2.760
  196    H    CYS  81           H        CYS  81  -5.192  -1.420  -0.532
  197    HA   CYS  81           HA       CYS  81  -3.818  -2.492   1.846
  198   1HB   CYS  81          2HB       CYS  81  -1.848  -1.371   1.177
  199   2HB   CYS  81          1HB       CYS  81  -2.479  -2.131  -0.313
  200    H    GLN  82           H        GLN  82  -2.820  -0.607   3.164
  201    HA   GLN  82           HA       GLN  82  -4.831   0.819   4.360
  202   1HB   GLN  82          2HB       GLN  82  -1.806   1.273   4.304
  203   2HB   GLN  82          1HB       GLN  82  -2.890   2.343   5.248
  204   1HG   GLN  82          2HG       GLN  82  -2.840  -0.701   5.682
  205   2HG   GLN  82          1HG       GLN  82  -1.764   0.447   6.566
  206   1HE2  GLN  82          2HE2      GLN  82  -5.712   0.071   7.620
  207   2HE2  GLN  82          1HE2      GLN  82  -4.962  -0.920   6.414
  208    H    GLN  83           H        GLN  83  -2.611   1.955   1.751
  209    HA   GLN  83           HA       GLN  83  -3.171   4.631   2.118
  210   1HB   GLN  83          1HB       GLN  83  -2.332   3.201  -0.465
  211   2HB   GLN  83          2HB       GLN  83  -2.143   4.940  -0.096
  212   1HG   GLN  83          2HG       GLN  83  -0.703   2.592   1.325
  213   2HG   GLN  83          1HG       GLN  83   0.018   3.737   0.138
  214   1HE2  GLN  83          2HE2      GLN  83  -0.012   6.602   2.369
  215   2HE2  GLN  83          1HE2      GLN  83  -0.307   6.163   0.719
  216    H    CYS  84           H        CYS  84  -4.535   2.283  -0.494
  217    HA   CYS  84           HA       CYS  84  -6.398   4.150  -1.139
  218   1HB   CYS  84          1HB       CYS  84  -6.731   1.475  -2.149
  219   2HB   CYS  84          2HB       CYS  84  -6.752   2.847  -2.787
  220    H    THR  85           H        THR  85  -6.514   2.088   1.620
  221    HA   THR  85           HA       THR  85  -9.367   1.792   1.464
  222    HB   THR  85           HB       THR  85  -7.471   1.813   3.863
  223    HG1  THR  85           HG1      THR  85  -7.296   0.101   2.378
  224   1HG2  THR  85          3HG2      THR  85 -10.494   1.148   3.625
  225   2HG2  THR  85          1HG2      THR  85  -9.456   0.699   5.028
  226   3HG2  THR  85          2HG2      THR  85  -9.756   2.427   4.670
  227    H    LYS  86           H        LYS  86  -6.915   4.166   2.557
  228    HA   LYS  86           HA       LYS  86  -8.803   5.885   3.718
  229   1HB   LYS  86          1HB       LYS  86  -5.927   6.098   3.157
  230   2HB   LYS  86          2HB       LYS  86  -6.852   7.411   3.951
  231   1HG   LYS  86          2HG       LYS  86  -7.477   5.885   5.807
  232   2HG   LYS  86          1HG       LYS  86  -6.659   4.510   4.993
  233   1HD   LYS  86          2HD       LYS  86  -4.467   5.737   5.152
  234   2HD   LYS  86          1HD       LYS  86  -5.293   7.047   6.072
  235   1HE   LYS  86          2HE       LYS  86  -5.912   5.391   7.868
  236   2HE   LYS  86          1HE       LYS  86  -5.098   4.074   6.923
  237   1HZ   LYS  86          2HZ       LYS  86  -3.795   6.529   7.982
  238   2HZ   LYS  86          3HZ       LYS  86  -3.691   4.966   8.637
  239   3HZ   LYS  86          1HZ       LYS  86  -3.039   5.289   7.103
  240    H    THR  87           H        THR  87  -7.342   5.647   0.348
  241    HA   THR  87           HA       THR  87  -8.142   8.355  -0.131
  242    HB   THR  87           HB       THR  87  -7.099   6.086  -1.896
  243    HG1  THR  87           HG1      THR  87  -5.696   6.983  -0.323
  244   1HG2  THR  87          1HG2      THR  87  -7.688   9.074  -2.482
  245   2HG2  THR  87          2HG2      THR  87  -6.694   7.996  -3.536
  246   3HG2  THR  87          3HG2      THR  87  -8.423   7.612  -3.278
  247    H    GLY  88           H        GLY  88  -8.989   4.927  -0.823
  248   1HA   GLY  88          1HA       GLY  88 -11.210   4.272  -0.815
  249   2HA   GLY  88          2HA       GLY  88 -11.664   5.850  -1.590
  250    H    VAL  89           H        VAL  89  -8.627   4.583  -2.564
  251    HA   VAL  89           HA       VAL  89  -9.788   3.669  -5.002
  252    HB   VAL  89           HB       VAL  89  -7.860   3.783  -6.265
  253   1HG1  VAL  89          3HG1      VAL  89  -9.281   5.474  -5.395
  254   2HG1  VAL  89          1HG1      VAL  89  -7.921   5.763  -4.066
  255   3HG1  VAL  89          2HG1      VAL  89  -7.629   6.162  -5.871
  256   1HG2  VAL  89          2HG2      VAL  89  -6.265   4.543  -3.688
  257   2HG2  VAL  89          3HG2      VAL  89  -5.866   3.209  -4.835
  258   3HG2  VAL  89          1HG2      VAL  89  -5.799   4.922  -5.381
  259    H    ALA  90           H        ALA  90 -10.323   2.078  -2.988
  260    HA   ALA  90           HA       ALA  90  -8.392   0.134  -3.007
  261   1HB   ALA  90          1HB       ALA  90 -11.446   0.053  -2.461
  262   2HB   ALA  90          3HB       ALA  90 -10.445  -1.423  -2.297
  263   3HB   ALA  90          2HB       ALA  90 -10.128   0.006  -1.219
  264    H    HIS  91           H        HIS  91 -10.985   1.180  -5.130
  265    HA   HIS  91           HA       HIS  91 -11.382  -1.095  -6.728
  266   1HB   HIS  91          2HB       HIS  91 -12.106   0.468  -8.488
  267   2HB   HIS  91          1HB       HIS  91 -13.068   0.665  -6.952
  268    HD1  HIS  91           HD1      HIS  91 -11.212   2.763  -5.612
  269    HD2  HIS  91           HD2      HIS  91 -12.164   2.855  -9.683
  270    HE1  HIS  91           HE1      HIS  91 -10.574   5.036  -6.497
  271    H    LEU  92           H        LEU  92  -9.193   1.841  -6.828
  272    HA   LEU  92           HA       LEU  92  -7.963   0.488  -9.122
  273   1HB   LEU  92          2HB       LEU  92  -6.759   2.934  -7.780
  274   2HB   LEU  92          1HB       LEU  92  -6.380   2.260  -9.396
  275    HG   LEU  92           HG       LEU  92  -8.956   3.637  -8.498
  276   1HD1  LEU  92          2HD1      LEU  92  -7.069   5.147  -9.077
  277   2HD1  LEU  92          3HD1      LEU  92  -6.914   4.359 -10.694
  278   3HD1  LEU  92          1HD1      LEU  92  -8.410   5.279 -10.277
  279   1HD2  LEU  92          3HD2      LEU  92  -8.394   2.137 -11.132
  280   2HD2  LEU  92          1HD2      LEU  92  -9.614   1.720  -9.876
  281   3HD2  LEU  92          2HD2      LEU  92  -9.813   3.230 -10.844
  282    H    CYS  93           H        CYS  93  -7.909  -0.318  -6.181
  283    HA   CYS  93           HA       CYS  93  -4.979  -0.580  -5.909
  284   1HB   CYS  93          1HB       CYS  93  -6.275  -0.081  -3.830
  285   2HB   CYS  93          2HB       CYS  93  -7.016  -1.716  -3.938
  286    H    HIS  94           H        HIS  94  -3.944  -2.170  -6.927
  287    HA   HIS  94           HA       HIS  94  -4.822  -4.838  -6.332
  288   1HB   HIS  94          2HB       HIS  94  -4.191  -3.922  -9.215
  289   2HB   HIS  94          1HB       HIS  94  -4.263  -5.632  -8.648
  290    HD1  HIS  94           HD1      HIS  94  -6.810  -6.349  -7.752
  291    HD2  HIS  94           HD2      HIS  94  -6.606  -2.816 -10.005
  292    HE1  HIS  94           HE1      HIS  94  -9.178  -5.751  -8.509
  293    H    TYR  95           H        TYR  95  -3.008  -6.039  -5.898
  294    HA   TYR  95           HA       TYR  95  -0.477  -4.637  -6.348
  295   1HB   TYR  95          1HB       TYR  95  -0.579  -7.358  -5.036
  296   2HB   TYR  95          2HB       TYR  95   0.650  -6.044  -4.856
  297    HD1  TYR  95           HD2      TYR  95   0.092  -4.122  -3.184
  298    HD2  TYR  95           HD1      TYR  95  -2.493  -7.481  -3.837
  299    HE1  TYR  95           HE2      TYR  95  -1.115  -3.610  -1.146
  300    HE2  TYR  95           HE1      TYR  95  -3.618  -6.993  -1.720
  301    HH   TYR  95           HH       TYR  95  -3.735  -5.669   0.060
  302    H    MET  96           H        MET  96   1.070  -5.498  -7.806
  303    HA   MET  96           HA       MET  96   0.100  -7.749  -9.367
  304   1HB   MET  96          1HB       MET  96   1.179  -6.455 -11.273
  305   2HB   MET  96          2HB       MET  96  -0.440  -5.864 -10.764
  306   1HG   MET  96          2HG       MET  96   0.570  -3.995  -9.546
  307   2HG   MET  96          1HG       MET  96   2.225  -4.590  -9.866
  308   1HE   MET  96          1HE       MET  96   3.468  -4.620 -12.017
  309   2HE   MET  96          2HE       MET  96   2.233  -5.553 -12.931
  310   3HE   MET  96          3HE       MET  96   2.883  -4.028 -13.609
  311    H    GLU  97           H        GLU  97   1.728  -8.996 -10.281
  312    HA   GLU  97           HA       GLU  97   4.296  -8.755  -9.014
  313   1HB   GLU  97          1HB       GLU  97   3.147 -11.005  -9.476
  314   2HB   GLU  97          2HB       GLU  97   3.317 -10.656 -11.227
  315   1HG   GLU  97          2HG       GLU  97   5.058 -12.246 -10.432
  316   2HG   GLU  97          1HG       GLU  97   5.818 -10.716 -10.995
  317    H    GLN  98           H        GLN  98   6.246  -8.335 -10.262
  318    HA   GLN  98           HA       GLN  98   5.762  -6.244 -12.074
  319   1HB   GLN  98          2HB       GLN  98   8.372  -7.618 -11.253
  320   2HB   GLN  98          1HB       GLN  98   8.261  -6.128 -12.259
  321   1HG   GLN  98          2HG       GLN  98   7.160  -4.912 -10.366
  322   2HG   GLN  98          1HG       GLN  98   7.205  -6.409  -9.356
  323   1HE2  GLN  98          2HE2      GLN  98  10.834  -4.579 -10.423
  324   2HE2  GLN  98          1HE2      GLN  98   9.500  -4.575 -11.527
  325    H    THR  99           H        THR  99   6.767  -9.672 -12.452
  326    HA   THR  99           HA       THR  99   7.511  -9.188 -15.163
  327    HB   THR  99           HB       THR  99   8.781 -10.876 -14.136
  328    HG1  THR  99           HG1      THR  99   6.835 -12.018 -15.848
  329   1HG2  THR  99          2HG2      THR  99   6.140 -12.377 -13.510
  330   2HG2  THR  99          3HG2      THR  99   7.806 -12.995 -13.271
  331   3HG2  THR  99          1HG2      THR  99   7.241 -11.587 -12.313
  332    H    TRP 100           H        TRP 100   4.626 -10.523 -13.442
  333    HA   TRP 100           HA       TRP 100   3.468 -11.151 -15.990
  334   1HB   TRP 100          2HB       TRP 100   2.167 -11.164 -13.216
  335   2HB   TRP 100          1HB       TRP 100   1.457 -11.833 -14.733
  336    HD1  TRP 100           HD1      TRP 100   3.267 -13.028 -11.743
  337    HE1  TRP 100           HE1      TRP 100   4.422 -15.272 -12.172
  338    HE3  TRP 100           HE3      TRP 100   2.814 -13.157 -16.798
  339    HZ2  TRP 100           HZ2      TRP 100   5.040 -16.901 -14.399
  340    HZ3  TRP 100           HZ3      TRP 100   3.685 -15.094 -18.017
  341    HH2  TRP 100           HH2      TRP 100   4.782 -16.935 -16.843
   
  No H/Q in entry =         341
  Start of MODEL    6
    1   1H    ILE  60          3H        ILE  60  11.239  -4.302  -6.106
    2   2H    ILE  60          1H        ILE  60  12.443  -4.483  -4.922
    3   3H    ILE  60          2H        ILE  60  12.854  -4.557  -6.569
    4    HA   ILE  60           HA       ILE  60  11.571  -6.447  -6.866
    5    HB   ILE  60           HB       ILE  60  13.955  -6.513  -6.358
    6   1HG1  ILE  60          2HG1      ILE  60  14.201  -8.918  -5.889
    7   2HG1  ILE  60          1HG1      ILE  60  12.481  -9.051  -5.420
    8   1HG2  ILE  60          3HG2      ILE  60  13.906  -5.750  -3.997
    9   2HG2  ILE  60          1HG2      ILE  60  13.125  -7.301  -3.489
   10   3HG2  ILE  60          2HG2      ILE  60  14.784  -7.307  -4.174
   11   1HD1  ILE  60          2HD1      ILE  60  13.523  -8.185  -8.208
   12   2HD1  ILE  60          3HD1      ILE  60  12.923  -9.829  -7.777
   13   3HD1  ILE  60          1HD1      ILE  60  11.791  -8.430  -7.761
   14    HA   PRO  61           HA       PRO  61   9.059  -7.606  -3.141
   15   1HB   PRO  61          2HB       PRO  61   8.290  -4.850  -2.143
   16   2HB   PRO  61          1HB       PRO  61   8.500  -6.358  -1.161
   17   1HG   PRO  61          2HG       PRO  61  10.408  -4.391  -1.073
   18   2HG   PRO  61          1HG       PRO  61  10.911  -6.133  -1.201
   19   1HD   PRO  61          2HD       PRO  61  10.637  -4.085  -3.477
   20   2HD   PRO  61          1HD       PRO  61  12.011  -5.223  -3.126
   21    H    LEU  62           H        LEU  62   6.676  -7.632  -3.368
   22    HA   LEU  62           HA       LEU  62   5.766  -6.275  -5.708
   23   1HB   LEU  62          1HB       LEU  62   4.506  -8.125  -3.633
   24   2HB   LEU  62          2HB       LEU  62   3.431  -7.111  -4.644
   25    HG   LEU  62           HG       LEU  62   5.419  -9.183  -5.730
   26   1HD1  LEU  62          1HD2      LEU  62   3.471 -10.157  -4.488
   27   2HD1  LEU  62          2HD2      LEU  62   2.346  -9.148  -5.479
   28   3HD1  LEU  62          3HD2      LEU  62   3.318 -10.456  -6.267
   29   1HD2  LEU  62          1HD1      LEU  62   3.306  -7.417  -7.138
   30   2HD2  LEU  62          2HD1      LEU  62   5.091  -7.363  -7.397
   31   3HD2  LEU  62          3HD1      LEU  62   4.155  -8.812  -7.903
   32    H    SER  63           H        SER  63   3.933  -4.900  -5.783
   33    HA   SER  63           HA       SER  63   3.079  -3.569  -3.438
   34   1HB   SER  63          1HB       SER  63   3.907  -1.250  -4.156
   35   2HB   SER  63          2HB       SER  63   5.312  -2.310  -3.768
   36    HG   SER  63           HG       SER  63   5.517  -1.210  -5.742
   37    H    CYS  64           H        CYS  64   1.696  -1.585  -4.288
   38    HA   CYS  64           HA       CYS  64   0.164  -2.745  -6.437
   39   1HB   CYS  64          1HB       CYS  64  -0.256  -0.256  -4.756
   40   2HB   CYS  64          2HB       CYS  64  -1.385  -0.721  -6.096
   41    H    THR  65           H        THR  65  -0.678  -1.311  -8.141
   42    HA   THR  65           HA       THR  65   1.471  -0.318  -9.634
   43    HB   THR  65           HB       THR  65  -0.057  -1.117 -11.102
   44    HG1  THR  65           HG1      THR  65   0.161   1.102 -11.523
   45   1HG2  THR  65          3HG2      THR  65  -2.264  -0.191  -9.134
   46   2HG2  THR  65          1HG2      THR  65  -2.566  -0.967 -10.731
   47   3HG2  THR  65          2HG2      THR  65  -1.708  -1.887  -9.455
   48    H    ILE  66           H        ILE  66  -1.127   1.244  -7.652
   49    HA   ILE  66           HA       ILE  66  -0.210   3.807  -8.551
   50    HB   ILE  66           HB       ILE  66  -1.750   3.919  -6.141
   51   1HG1  ILE  66          2HG1      ILE  66  -3.903   3.556  -7.704
   52   2HG1  ILE  66          1HG1      ILE  66  -2.898   2.295  -8.472
   53   1HG2  ILE  66          3HG2      ILE  66  -1.075   5.822  -7.553
   54   2HG2  ILE  66          1HG2      ILE  66  -1.963   5.125  -8.965
   55   3HG2  ILE  66          2HG2      ILE  66  -2.870   5.677  -7.501
   56   1HD1  ILE  66          3HD1      ILE  66  -3.425   2.592  -5.441
   57   2HD1  ILE  66          1HD1      ILE  66  -4.334   1.487  -6.515
   58   3HD1  ILE  66          2HD1      ILE  66  -2.570   1.203  -6.224
   59    H    CYS  67           H        CYS  67   0.235   1.653  -5.780
   60    HA   CYS  67           HA       CYS  67   1.385   3.554  -4.082
   61   1HB   CYS  67          1HB       CYS  67   1.776   0.519  -4.133
   62   2HB   CYS  67          2HB       CYS  67   2.458   1.597  -2.881
   63    H    ARG  68           H        ARG  68   2.728   1.695  -6.789
   64    HA   ARG  68           HA       ARG  68   5.415   2.200  -6.079
   65   1HB   ARG  68          1HB       ARG  68   4.538   0.329  -7.641
   66   2HB   ARG  68          2HB       ARG  68   4.268   1.613  -8.866
   67   1HG   ARG  68          2HG       ARG  68   6.334   0.439  -9.352
   68   2HG   ARG  68          1HG       ARG  68   6.780   2.090  -8.820
   69   1HD   ARG  68          2HD       ARG  68   7.360   1.165  -6.524
   70   2HD   ARG  68          1HD       ARG  68   6.880  -0.490  -7.108
   71    HE   ARG  68           HE       ARG  68   8.812   0.722  -8.912
   72   1HH1  ARG  68          1HH1      ARG  68   8.433  -0.795  -5.703
   73   2HH1  ARG  68          2HH1      ARG  68  10.064  -1.370  -5.621
   74   1HH2  ARG  68          1HH2      ARG  68  11.024  -0.063  -8.789
   75   2HH2  ARG  68          2HH2      ARG  68  11.557  -0.948  -7.399
   76    H    LYS  69           H        LYS  69   2.886   3.922  -7.920
   77    HA   LYS  69           HA       LYS  69   4.690   5.635  -9.251
   78   1HB   LYS  69          1HB       LYS  69   1.690   5.915  -8.750
   79   2HB   LYS  69          2HB       LYS  69   2.671   7.059  -9.732
   80   1HG   LYS  69          2HG       LYS  69   2.411   4.063 -10.368
   81   2HG   LYS  69          1HG       LYS  69   1.364   5.346 -11.068
   82   1HD   LYS  69          2HD       LYS  69   3.379   6.451 -12.055
   83   2HD   LYS  69          1HD       LYS  69   4.427   5.151 -11.380
   84   1HE   LYS  69          2HE       LYS  69   3.208   3.437 -12.746
   85   2HE   LYS  69          1HE       LYS  69   2.156   4.743 -13.438
   86   1HZ   LYS  69          3HZ       LYS  69   5.118   4.577 -13.656
   87   2HZ   LYS  69          1HZ       LYS  69   3.993   4.198 -14.869
   88   3HZ   LYS  69          2HZ       LYS  69   4.131   5.795 -14.307
   89    H    ARG  70           H        ARG  70   2.701   6.009  -6.183
   90    HA   ARG  70           HA       ARG  70   3.630   8.670  -5.919
   91   1HB   ARG  70          2HB       ARG  70   2.853   6.974  -3.532
   92   2HB   ARG  70          1HB       ARG  70   2.588   8.725  -3.794
   93   1HG   ARG  70          2HG       ARG  70   1.069   6.364  -5.061
   94   2HG   ARG  70          1HG       ARG  70   0.494   7.451  -3.796
   95   1HD   ARG  70          2HD       ARG  70   0.596   9.394  -5.469
   96   2HD   ARG  70          1HD       ARG  70   0.963   8.174  -6.763
   97    HE   ARG  70           HE       ARG  70  -1.321   7.257  -5.313
   98   1HH1  ARG  70          1HH1      ARG  70  -0.303   9.991  -7.361
   99   2HH1  ARG  70          2HH1      ARG  70  -1.896  10.339  -7.947
  100   1HH2  ARG  70          1HH2      ARG  70  -3.485   7.736  -6.109
  101   2HH2  ARG  70          2HH2      ARG  70  -3.731   9.039  -7.225
  102    H    LYS  71           H        LYS  71   4.595   5.417  -4.960
  103    HA   LYS  71           HA       LYS  71   6.309   4.515  -4.150
  104   1HB   LYS  71          2HB       LYS  71   7.763   6.079  -5.534
  105   2HB   LYS  71          1HB       LYS  71   7.976   7.056  -4.040
  106   1HG   LYS  71          2HG       LYS  71   8.385   4.235  -3.375
  107   2HG   LYS  71          1HG       LYS  71   9.269   4.577  -4.882
  108   1HD   LYS  71          2HD       LYS  71  10.446   6.496  -3.727
  109   2HD   LYS  71          1HD       LYS  71   9.440   6.196  -2.259
  110   1HE   LYS  71          2HE       LYS  71  11.736   5.232  -1.983
  111   2HE   LYS  71          1HE       LYS  71  10.483   3.923  -1.997
  112   1HZ   LYS  71          2HZ       LYS  71  10.990   3.541  -4.312
  113   2HZ   LYS  71          3HZ       LYS  71  12.164   4.766  -4.299
  114   3HZ   LYS  71          1HZ       LYS  71  12.376   3.377  -3.344
  115    H    VAL  72           H        VAL  72   4.823   4.237  -2.540
  116    HA   VAL  72           HA       VAL  72   5.583   5.381   0.005
  117    HB   VAL  72           HB       VAL  72   3.128   4.788   0.568
  118   1HG1  VAL  72          3HG1      VAL  72   4.060   7.120   0.547
  119   2HG1  VAL  72          1HG1      VAL  72   3.698   7.250  -1.217
  120   3HG1  VAL  72          2HG1      VAL  72   2.350   7.092  -0.030
  121   1HG2  VAL  72          1HG2      VAL  72   2.803   5.083  -2.494
  122   2HG2  VAL  72          2HG2      VAL  72   2.502   3.594  -1.517
  123   3HG2  VAL  72          3HG2      VAL  72   1.482   5.052  -1.294
  124    H    LYS  73           H        LYS  73   4.999   3.607   1.678
  125    HA   LYS  73           HA       LYS  73   5.827   1.133   0.513
  126   1HB   LYS  73          1HB       LYS  73   5.278   1.930   3.286
  127   2HB   LYS  73          2HB       LYS  73   5.604   0.214   2.856
  128   1HG   LYS  73          2HG       LYS  73   7.497   2.550   2.199
  129   2HG   LYS  73          1HG       LYS  73   7.629   1.542   3.691
  130   1HD   LYS  73          2HD       LYS  73   7.957  -0.500   2.287
  131   2HD   LYS  73          1HD       LYS  73   7.859   0.501   0.795
  132   1HE   LYS  73          2HE       LYS  73   9.883   1.800   1.519
  133   2HE   LYS  73          1HE       LYS  73  10.005   0.765   3.002
  134   1HZ   LYS  73          2HZ       LYS  73  10.115  -0.180   0.185
  135   2HZ   LYS  73          3HZ       LYS  73  11.432   0.004   1.242
  136   3HZ   LYS  73          1HZ       LYS  73  10.233  -1.153   1.573
  137    H    CYS  74           H        CYS  74   4.574  -0.265  -0.361
  138    HA   CYS  74           HA       CYS  74   1.777  -0.342   0.137
  139   1HB   CYS  74          1HB       CYS  74   2.936  -0.862  -2.077
  140   2HB   CYS  74          2HB       CYS  74   3.612  -2.333  -1.301
  141    H    ASP  75           H        ASP  75   0.833  -2.676   0.716
  142    HA   ASP  75           HA       ASP  75   2.284  -3.245   3.244
  143   1HB   ASP  75          1HB       ASP  75  -0.750  -2.906   3.029
  144   2HB   ASP  75          2HB       ASP  75   0.208  -3.224   4.516
  145    H    LYS  76           H        LYS  76  -0.052  -4.218   0.754
  146    HA   LYS  76           HA       LYS  76  -0.911  -6.010   0.111
  147   1HB   LYS  76          1HB       LYS  76   1.469  -7.516   1.277
  148   2HB   LYS  76          2HB       LYS  76   0.357  -8.055  -0.035
  149   1HG   LYS  76          2HG       LYS  76   1.003  -5.974  -1.340
  150   2HG   LYS  76          1HG       LYS  76   2.281  -5.630  -0.135
  151   1HD   LYS  76          2HD       LYS  76   2.027  -8.199  -1.799
  152   2HD   LYS  76          1HD       LYS  76   3.019  -6.757  -2.230
  153   1HE   LYS  76          2HE       LYS  76   3.458  -8.462   0.321
  154   2HE   LYS  76          1HE       LYS  76   4.429  -8.582  -1.202
  155   1HZ   LYS  76          2HZ       LYS  76   5.045  -6.284  -0.941
  156   2HZ   LYS  76          3HZ       LYS  76   4.133  -6.156   0.487
  157   3HZ   LYS  76          1HZ       LYS  76   5.478  -7.192   0.428
  158    H    LEU  77           H        LEU  77  -1.979  -5.076   2.495
  159    HA   LEU  77           HA       LEU  77  -2.717  -7.559   3.824
  160   1HB   LEU  77          1HB       LEU  77  -3.997  -6.144   5.421
  161   2HB   LEU  77          2HB       LEU  77  -2.243  -5.770   5.368
  162    HG   LEU  77           HG       LEU  77  -3.076  -3.885   3.628
  163   1HD1  LEU  77          3HD1      LEU  77  -5.545  -4.417   3.928
  164   2HD1  LEU  77          1HD1      LEU  77  -5.370  -4.132   5.695
  165   3HD1  LEU  77          2HD1      LEU  77  -5.127  -2.775   4.535
  166   1HD2  LEU  77          2HD2      LEU  77  -1.613  -3.699   5.658
  167   2HD2  LEU  77          3HD2      LEU  77  -2.766  -2.330   5.489
  168   3HD2  LEU  77          1HD2      LEU  77  -3.087  -3.637   6.693
  169    H    ARG  78           H        ARG  78  -4.893  -8.300   3.709
  170    HA   ARG  78           HA       ARG  78  -5.840  -7.782   1.084
  171   1HB   ARG  78          2HB       ARG  78  -6.776  -9.705   3.280
  172   2HB   ARG  78          1HB       ARG  78  -7.511  -9.646   1.642
  173   1HG   ARG  78          2HG       ARG  78  -4.560 -10.316   2.238
  174   2HG   ARG  78          1HG       ARG  78  -5.867 -11.500   1.886
  175   1HD   ARG  78          2HD       ARG  78  -6.192 -10.465  -0.394
  176   2HD   ARG  78          1HD       ARG  78  -4.798  -9.343  -0.063
  177    HE   ARG  78           HE       ARG  78  -3.971 -12.052   0.457
  178   1HH1  ARG  78          1HH1      ARG  78  -4.942  -9.868  -2.193
  179   2HH1  ARG  78          2HH1      ARG  78  -4.008 -10.683  -3.403
  180   1HH2  ARG  78          1HH2      ARG  78  -2.705 -13.151  -1.196
  181   2HH2  ARG  78          2HH2      ARG  78  -2.719 -12.574  -2.829
  182    HA   PRO  79           HA       PRO  79  -7.810  -8.058  -0.081
  183   1HB   PRO  79          2HB       PRO  79  -9.914  -6.020  -0.783
  184   2HB   PRO  79          1HB       PRO  79  -9.964  -7.807  -1.034
  185   1HG   PRO  79          2HG       PRO  79 -11.516  -6.575   0.901
  186   2HG   PRO  79          1HG       PRO  79 -10.762  -8.205   1.166
  187   1HD   PRO  79          2HD       PRO  79  -9.712  -5.478   2.118
  188   2HD   PRO  79          1HD       PRO  79  -9.837  -7.049   3.042
  189    H    HIS  80           H        HIS  80  -8.678  -4.558   0.420
  190    HA   HIS  80           HA       HIS  80  -6.531  -3.808  -1.372
  191   1HB   HIS  80          2HB       HIS  80  -7.554  -1.420  -0.761
  192   2HB   HIS  80          1HB       HIS  80  -8.410  -2.507  -1.909
  193    HD1  HIS  80           HD1      HIS  80  -8.715  -1.467   1.782
  194    HD2  HIS  80           HD2      HIS  80 -10.895  -3.396  -1.238
  195    HE1  HIS  80           HE1      HIS  80 -11.094  -1.841   2.635
  196    H    CYS  81           H        CYS  81  -4.818  -2.415  -0.669
  197    HA   CYS  81           HA       CYS  81  -4.107  -3.069   2.002
  198   1HB   CYS  81          2HB       CYS  81  -1.938  -2.180   1.581
  199   2HB   CYS  81          1HB       CYS  81  -2.388  -3.071   0.106
  200    H    GLN  82           H        GLN  82  -3.143  -1.342   3.460
  201    HA   GLN  82           HA       GLN  82  -5.206   0.434   4.009
  202   1HB   GLN  82          2HB       GLN  82  -2.523  -0.072   5.233
  203   2HB   GLN  82          1HB       GLN  82  -3.273   1.522   5.563
  204   1HG   GLN  82          2HG       GLN  82  -5.344   0.456   6.415
  205   2HG   GLN  82          1HG       GLN  82  -4.654  -1.183   6.098
  206   1HE2  GLN  82          2HE2      GLN  82  -3.151  -1.321   9.245
  207   2HE2  GLN  82          1HE2      GLN  82  -4.018  -2.092   7.957
  208    H    GLN  83           H        GLN  83  -2.560   1.041   1.824
  209    HA   GLN  83           HA       GLN  83  -2.600   3.853   2.158
  210   1HB   GLN  83          2HB       GLN  83  -0.704   2.665   1.026
  211   2HB   GLN  83          1HB       GLN  83  -1.813   2.172  -0.287
  212   1HG   GLN  83          2HG       GLN  83  -0.416   4.078  -0.984
  213   2HG   GLN  83          1HG       GLN  83  -2.137   4.586  -0.948
  214   1HE2  GLN  83          2HE2      GLN  83   0.502   5.889   2.056
  215   2HE2  GLN  83          1HE2      GLN  83   0.758   4.368   1.268
  216    H    CYS  84           H        CYS  84  -4.003   1.647  -0.464
  217    HA   CYS  84           HA       CYS  84  -5.536   3.478  -1.573
  218   1HB   CYS  84          2HB       CYS  84  -5.727   0.427  -1.359
  219   2HB   CYS  84          1HB       CYS  84  -6.492   1.413  -2.639
  220    H    THR  85           H        THR  85  -6.279   1.742   1.418
  221    HA   THR  85           HA       THR  85  -9.084   1.909   1.102
  222    HB   THR  85           HB       THR  85  -7.544   2.019   3.739
  223    HG1  THR  85           HG1      THR  85  -6.947   0.308   2.291
  224   1HG2  THR  85          1HG2      THR  85 -10.361   1.029   2.891
  225   2HG2  THR  85          2HG2      THR  85  -9.623   0.746   4.512
  226   3HG2  THR  85          3HG2      THR  85 -10.011   2.419   3.988
  227    H    LYS  86           H        LYS  86  -6.508   4.055   2.413
  228    HA   LYS  86           HA       LYS  86  -8.337   5.960   3.401
  229   1HB   LYS  86          1HB       LYS  86  -5.407   5.910   3.090
  230   2HB   LYS  86          2HB       LYS  86  -6.281   7.262   3.878
  231   1HG   LYS  86          2HG       LYS  86  -7.178   5.669   5.595
  232   2HG   LYS  86          1HG       LYS  86  -6.304   4.313   4.802
  233   1HD   LYS  86          2HD       LYS  86  -4.118   5.432   5.272
  234   2HD   LYS  86          1HD       LYS  86  -4.988   6.812   6.036
  235   1HE   LYS  86          2HE       LYS  86  -4.099   5.258   7.775
  236   2HE   LYS  86          1HE       LYS  86  -5.912   5.247   7.794
  237   1HZ   LYS  86          2HZ       LYS  86  -5.850   3.238   6.475
  238   2HZ   LYS  86          3HZ       LYS  86  -4.153   3.247   6.468
  239   3HZ   LYS  86          1HZ       LYS  86  -4.994   3.049   7.929
  240    H    THR  87           H        THR  87  -6.565   5.391   0.394
  241    HA   THR  87           HA       THR  87  -6.648   8.087  -0.477
  242    HB   THR  87           HB       THR  87  -6.215   5.467  -1.993
  243    HG1  THR  87           HG1      THR  87  -4.665   5.938  -0.475
  244   1HG2  THR  87          1HG2      THR  87  -5.833   8.416  -2.861
  245   2HG2  THR  87          2HG2      THR  87  -5.129   6.996  -3.715
  246   3HG2  THR  87          3HG2      THR  87  -6.905   7.180  -3.648
  247    H    GLY  88           H        GLY  88  -8.448   5.060  -1.350
  248   1HA   GLY  88          1HA       GLY  88 -10.713   5.036  -1.808
  249   2HA   GLY  88          2HA       GLY  88 -10.611   6.763  -2.355
  250    H    VAL  89           H        VAL  89  -8.096   4.434  -2.997
  251    HA   VAL  89           HA       VAL  89  -8.979   4.065  -5.742
  252    HB   VAL  89           HB       VAL  89  -7.044   5.470  -5.020
  253   1HG1  VAL  89          2HG1      VAL  89  -5.936   3.551  -3.556
  254   2HG1  VAL  89          3HG1      VAL  89  -5.625   2.787  -5.173
  255   3HG1  VAL  89          1HG1      VAL  89  -4.760   4.314  -4.693
  256   1HG2  VAL  89          1HG2      VAL  89  -7.207   5.491  -7.252
  257   2HG2  VAL  89          2HG2      VAL  89  -5.609   5.803  -6.520
  258   3HG2  VAL  89          3HG2      VAL  89  -5.872   4.229  -7.282
  259    H    ALA  90           H        ALA  90  -9.987   2.710  -3.446
  260    HA   ALA  90           HA       ALA  90  -8.302   0.468  -2.844
  261   1HB   ALA  90          1HB       ALA  90 -11.320   0.762  -2.433
  262   2HB   ALA  90          2HB       ALA  90 -10.289  -0.602  -1.855
  263   3HB   ALA  90          3HB       ALA  90 -10.039   1.063  -1.177
  264    H    HIS  91           H        HIS  91 -10.858   1.286  -5.078
  265    HA   HIS  91           HA       HIS  91 -11.277  -1.233  -6.227
  266   1HB   HIS  91          2HB       HIS  91 -11.827   0.174  -8.257
  267   2HB   HIS  91          1HB       HIS  91 -12.861   0.396  -6.767
  268    HD1  HIS  91           HD1      HIS  91 -10.807   2.795  -5.666
  269    HD2  HIS  91           HD2      HIS  91 -12.739   2.434  -9.366
  270    HE1  HIS  91           HE1      HIS  91 -10.997   5.129  -6.720
  271    H    LEU  92           H        LEU  92  -8.811   1.285  -6.541
  272    HA   LEU  92           HA       LEU  92  -7.852   0.120  -8.947
  273   1HB   LEU  92          1HB       LEU  92  -6.719   2.292  -7.103
  274   2HB   LEU  92          2HB       LEU  92  -6.088   2.053  -8.691
  275    HG   LEU  92           HG       LEU  92  -8.197   3.785  -7.725
  276   1HD1  LEU  92          2HD1      LEU  92  -6.200   4.362  -9.293
  277   2HD1  LEU  92          3HD1      LEU  92  -7.056   3.506 -10.615
  278   3HD1  LEU  92          1HD1      LEU  92  -7.804   4.964  -9.858
  279   1HD2  LEU  92          3HD2      LEU  92  -8.887   2.059 -10.273
  280   2HD2  LEU  92          1HD2      LEU  92  -9.840   2.085  -8.760
  281   3HD2  LEU  92          2HD2      LEU  92  -9.758   3.560  -9.781
  282    H    CYS  93           H        CYS  93  -7.740  -0.725  -5.903
  283    HA   CYS  93           HA       CYS  93  -4.885  -1.031  -5.597
  284   1HB   CYS  93          1HB       CYS  93  -6.366  -0.785  -3.583
  285   2HB   CYS  93          2HB       CYS  93  -7.088  -2.381  -3.953
  286    H    HIS  94           H        HIS  94  -3.834  -2.395  -6.938
  287    HA   HIS  94           HA       HIS  94  -4.551  -5.186  -6.602
  288   1HB   HIS  94          2HB       HIS  94  -3.825  -3.981  -9.348
  289   2HB   HIS  94          1HB       HIS  94  -4.040  -5.725  -8.964
  290    HD1  HIS  94           HD1      HIS  94  -5.931  -2.560  -9.774
  291    HD2  HIS  94           HD2      HIS  94  -6.863  -6.477  -8.590
  292    HE1  HIS  94           HE1      HIS  94  -8.442  -2.911 -10.093
  293    H    TYR  95           H        TYR  95  -2.649  -6.385  -6.356
  294    HA   TYR  95           HA       TYR  95  -0.271  -4.729  -6.340
  295   1HB   TYR  95          1HB       TYR  95  -0.272  -7.679  -5.572
  296   2HB   TYR  95          2HB       TYR  95   0.970  -6.375  -5.252
  297    HD1  TYR  95           HD1      TYR  95   0.344  -4.536  -3.472
  298    HD2  TYR  95           HD2      TYR  95  -2.206  -7.893  -4.336
  299    HE1  TYR  95           HE1      TYR  95  -1.177  -3.757  -1.905
  300    HE2  TYR  95           HE2      TYR  95  -3.647  -7.225  -2.468
  301    HH   TYR  95           HH       TYR  95  -4.125  -5.690  -0.981
  302    H    MET  96           H        MET  96   1.184  -4.759  -7.854
  303    HA   MET  96           HA       MET  96   0.835  -6.660 -10.068
  304   1HB   MET  96          1HB       MET  96   1.220  -3.742 -10.301
  305   2HB   MET  96          2HB       MET  96   1.395  -4.887 -11.671
  306   1HG   MET  96          2HG       MET  96  -1.016  -5.640 -11.185
  307   2HG   MET  96          1HG       MET  96  -1.166  -4.217 -10.106
  308   1HE   MET  96          3HE       MET  96  -3.100  -4.876 -12.363
  309   2HE   MET  96          1HE       MET  96  -3.223  -3.363 -11.400
  310   3HE   MET  96          2HE       MET  96  -3.345  -3.297 -13.190
  311    H    GLU  97           H        GLU  97   2.706  -7.244 -11.163
  312    HA   GLU  97           HA       GLU  97   5.123  -6.787  -9.711
  313   1HB   GLU  97          1HB       GLU  97   4.496  -9.019 -10.800
  314   2HB   GLU  97          2HB       GLU  97   4.680  -8.223 -12.394
  315   1HG   GLU  97          2HG       GLU  97   6.676  -9.580 -11.828
  316   2HG   GLU  97          1HG       GLU  97   7.132  -7.841 -11.901
  317    H    GLN  98           H        GLN  98   6.965  -5.699 -10.556
  318    HA   GLN  98           HA       GLN  98   6.161  -3.362 -11.940
  319   1HB   GLN  98          1HB       GLN  98   8.483  -2.562 -11.455
  320   2HB   GLN  98          2HB       GLN  98   7.601  -3.134  -9.998
  321   1HG   GLN  98          2HG       GLN  98   8.822  -5.366 -10.174
  322   2HG   GLN  98          1HG       GLN  98   9.816  -4.670 -11.512
  323   1HE2  GLN  98          2HE2      GLN  98  11.859  -2.658  -9.471
  324   2HE2  GLN  98          1HE2      GLN  98  11.397  -3.138 -11.071
  325    H    THR  99           H        THR  99   7.634  -6.382 -12.906
  326    HA   THR  99           HA       THR  99   9.091  -5.157 -15.047
  327    HB   THR  99           HB       THR  99   9.578  -7.521 -15.747
  328    HG1  THR  99           HG1      THR  99   8.224  -7.997 -13.297
  329   1HG2  THR  99          2HG2      THR  99  11.091  -6.131 -14.266
  330   2HG2  THR  99          3HG2      THR  99  10.206  -6.731 -12.812
  331   3HG2  THR  99          1HG2      THR  99  11.145  -7.882 -13.833
  332    H    TRP 100           H        TRP 100   6.045  -7.097 -14.647
  333    HA   TRP 100           HA       TRP 100   5.207  -5.927 -17.136
  334   1HB   TRP 100          2HB       TRP 100   4.453  -8.036 -18.169
  335   2HB   TRP 100          1HB       TRP 100   6.238  -8.075 -17.953
  336    HD1  TRP 100           HD1      TRP 100   7.162  -9.780 -15.936
  337    HE1  TRP 100           HE1      TRP 100   6.094 -11.878 -14.925
  338    HE3  TRP 100           HE3      TRP 100   2.425  -9.093 -17.608
  339    HZ2  TRP 100           HZ2      TRP 100   3.545 -13.103 -14.891
  340    HZ3  TRP 100           HZ3      TRP 100   0.721 -10.774 -17.081
  341    HH2  TRP 100           HH2      TRP 100   1.268 -12.746 -15.743
   
  No H/Q in entry =         341
  Start of MODEL    7
    1   1H    ILE  60          3H        ILE  60   9.802  -5.696  -4.664
    2   2H    ILE  60          1H        ILE  60  10.723  -5.518  -3.247
    3   3H    ILE  60          2H        ILE  60  11.494  -5.832  -4.728
    4    HA   ILE  60           HA       ILE  60  10.499  -7.937  -4.863
    5    HB   ILE  60           HB       ILE  60  12.146  -7.361  -2.527
    6   1HG1  ILE  60          2HG1      ILE  60  13.730  -8.858  -3.896
    7   2HG1  ILE  60          1HG1      ILE  60  12.554  -8.738  -5.242
    8   1HG2  ILE  60          1HG2      ILE  60  11.070 -10.134  -3.365
    9   2HG2  ILE  60          2HG2      ILE  60  12.511  -9.883  -2.324
   10   3HG2  ILE  60          3HG2      ILE  60  10.914  -9.355  -1.732
   11   1HD1  ILE  60          3HD1      ILE  60  13.955  -6.329  -3.883
   12   2HD1  ILE  60          1HD1      ILE  60  14.524  -7.134  -5.392
   13   3HD1  ILE  60          2HD1      ILE  60  12.946  -6.276  -5.382
   14    HA   PRO  61           HA       PRO  61   7.183  -8.247  -1.558
   15   1HB   PRO  61          2HB       PRO  61   7.139  -5.370  -0.553
   16   2HB   PRO  61          1HB       PRO  61   6.731  -6.868   0.383
   17   1HG   PRO  61          2HG       PRO  61   9.130  -5.609   0.798
   18   2HG   PRO  61          1HG       PRO  61   9.075  -7.419   0.656
   19   1HD   PRO  61          2HD       PRO  61   9.817  -5.382  -1.519
   20   2HD   PRO  61          1HD       PRO  61  10.640  -6.946  -1.068
   21    H    LEU  62           H        LEU  62   5.164  -8.051  -2.642
   22    HA   LEU  62           HA       LEU  62   5.099  -6.527  -4.921
   23   1HB   LEU  62          2HB       LEU  62   3.132  -8.151  -3.265
   24   2HB   LEU  62          1HB       LEU  62   2.525  -7.185  -4.651
   25    HG   LEU  62           HG       LEU  62   3.001  -9.606  -5.044
   26   1HD1  LEU  62          2HD1      LEU  62   2.712  -7.872  -6.855
   27   2HD1  LEU  62          3HD1      LEU  62   4.498  -7.649  -6.910
   28   3HD1  LEU  62          1HD1      LEU  62   3.777  -9.238  -7.371
   29   1HD2  LEU  62          3HD2      LEU  62   5.192  -9.890  -3.909
   30   2HD2  LEU  62          1HD2      LEU  62   5.236 -10.428  -5.632
   31   3HD2  LEU  62          2HD2      LEU  62   5.971  -8.851  -5.169
   32    H    SER  63           H        SER  63   4.201  -4.750  -5.510
   33    HA   SER  63           HA       SER  63   2.962  -3.134  -3.405
   34   1HB   SER  63          1HB       SER  63   4.608  -2.193  -5.842
   35   2HB   SER  63          2HB       SER  63   3.833  -1.103  -4.625
   36    HG   SER  63           HG       SER  63   6.024  -1.464  -4.221
   37    H    CYS  64           H        CYS  64   1.495  -1.428  -4.248
   38    HA   CYS  64           HA       CYS  64  -0.214  -2.645  -6.228
   39   1HB   CYS  64          1HB       CYS  64  -0.465  -0.037  -4.710
   40   2HB   CYS  64          2HB       CYS  64  -1.677  -0.572  -5.951
   41    H    THR  65           H        THR  65  -1.160  -1.063  -7.898
   42    HA   THR  65           HA       THR  65   0.973  -0.462  -9.589
   43    HB   THR  65           HB       THR  65  -0.813   0.339 -11.151
   44    HG1  THR  65           HG1      THR  65  -2.178   1.044  -9.423
   45   1HG2  THR  65          2HG2      THR  65  -0.091  -2.103 -10.975
   46   2HG2  THR  65          3HG2      THR  65  -1.397  -2.385  -9.769
   47   3HG2  THR  65          1HG2      THR  65  -1.821  -1.910 -11.446
   48    H    ILE  66           H        ILE  66  -1.105   1.599  -7.463
   49    HA   ILE  66           HA       ILE  66   0.072   3.943  -8.673
   50    HB   ILE  66           HB       ILE  66  -1.206   4.216  -6.088
   51   1HG1  ILE  66          2HG1      ILE  66  -2.830   3.799  -8.676
   52   2HG1  ILE  66          1HG1      ILE  66  -2.809   2.692  -7.260
   53   1HG2  ILE  66          3HG2      ILE  66  -0.091   6.107  -7.361
   54   2HG2  ILE  66          1HG2      ILE  66  -1.226   5.824  -8.728
   55   3HG2  ILE  66          2HG2      ILE  66  -1.836   6.409  -7.135
   56   1HD1  ILE  66          1HD1      ILE  66  -3.676   4.590  -5.805
   57   2HD1  ILE  66          2HD1      ILE  66  -3.876   5.589  -7.297
   58   3HD1  ILE  66          3HD1      ILE  66  -4.812   4.068  -7.095
   59    H    CYS  67           H        CYS  67   0.460   1.813  -5.785
   60    HA   CYS  67           HA       CYS  67   1.877   3.625  -4.295
   61   1HB   CYS  67          2HB       CYS  67   1.794   0.690  -4.199
   62   2HB   CYS  67          1HB       CYS  67   2.616   1.684  -2.974
   63    H    ARG  68           H        ARG  68   2.975   1.445  -6.874
   64    HA   ARG  68           HA       ARG  68   5.686   1.579  -6.045
   65   1HB   ARG  68          2HB       ARG  68   4.597  -0.267  -7.456
   66   2HB   ARG  68          1HB       ARG  68   4.640   0.883  -8.834
   67   1HG   ARG  68          2HG       ARG  68   7.140   0.962  -8.684
   68   2HG   ARG  68          1HG       ARG  68   7.087  -0.035  -7.185
   69   1HD   ARG  68          2HD       ARG  68   6.122  -1.953  -8.491
   70   2HD   ARG  68          1HD       ARG  68   6.209  -0.948 -10.008
   71    HE   ARG  68           HE       ARG  68   8.791  -0.910  -8.770
   72   1HH1  ARG  68          1HH1      ARG  68   6.498  -3.177 -10.292
   73   2HH1  ARG  68          2HH1      ARG  68   7.723  -4.238 -10.906
   74   1HH2  ARG  68          1HH2      ARG  68  10.451  -2.358  -9.607
   75   2HH2  ARG  68          2HH2      ARG  68  10.001  -3.765 -10.510
   76    H    LYS  69           H        LYS  69   3.509   3.553  -8.043
   77    HA   LYS  69           HA       LYS  69   5.576   4.877  -9.453
   78   1HB   LYS  69          1HB       LYS  69   2.649   5.666  -9.007
   79   2HB   LYS  69          2HB       LYS  69   3.793   6.507 -10.110
   80   1HG   LYS  69          2HG       LYS  69   4.050   4.456 -11.468
   81   2HG   LYS  69          1HG       LYS  69   2.965   3.549 -10.360
   82   1HD   LYS  69          2HD       LYS  69   1.087   5.108 -10.889
   83   2HD   LYS  69          1HD       LYS  69   2.153   6.022 -12.014
   84   1HE   LYS  69          2HE       LYS  69   1.376   3.041 -12.327
   85   2HE   LYS  69          1HE       LYS  69   0.650   4.427 -13.241
   86   1HZ   LYS  69          3HZ       LYS  69   3.515   3.634 -13.264
   87   2HZ   LYS  69          1HZ       LYS  69   2.370   3.313 -14.478
   88   3HZ   LYS  69          2HZ       LYS  69   2.817   4.915 -14.133
   89    H    ARG  70           H        ARG  70   3.548   5.652  -6.532
   90    HA   ARG  70           HA       ARG  70   4.691   8.219  -6.255
   91   1HB   ARG  70          2HB       ARG  70   3.399   6.444  -4.106
   92   2HB   ARG  70          1HB       ARG  70   3.596   8.228  -4.032
   93   1HG   ARG  70          2HG       ARG  70   1.822   6.658  -6.005
   94   2HG   ARG  70          1HG       ARG  70   1.259   7.462  -4.526
   95   1HD   ARG  70          2HD       ARG  70   1.888   9.704  -5.494
   96   2HD   ARG  70          1HD       ARG  70   2.502   8.867  -6.993
   97    HE   ARG  70           HE       ARG  70  -0.215   8.040  -6.367
   98   1HH1  ARG  70          1HH1      ARG  70   1.745  10.704  -7.703
   99   2HH1  ARG  70          2HH1      ARG  70   0.502  11.279  -8.763
  100   1HH2  ARG  70          1HH2      ARG  70  -1.892   8.826  -7.805
  101   2HH2  ARG  70          2HH2      ARG  70  -1.597  10.195  -8.822
  102    H    LYS  71           H        LYS  71   5.315   4.929  -5.132
  103    HA   LYS  71           HA       LYS  71   6.837   3.940  -4.158
  104   1HB   LYS  71          2HB       LYS  71   8.463   5.295  -5.557
  105   2HB   LYS  71          1HB       LYS  71   8.670   6.393  -4.150
  106   1HG   LYS  71          2HG       LYS  71  10.476   4.735  -4.357
  107   2HG   LYS  71          1HG       LYS  71   9.596   4.526  -2.804
  108   1HD   LYS  71          2HD       LYS  71   8.457   2.546  -3.575
  109   2HD   LYS  71          1HD       LYS  71   8.932   2.835  -5.279
  110   1HE   LYS  71          2HE       LYS  71  10.892   2.153  -2.971
  111   2HE   LYS  71          1HE       LYS  71  10.259   0.975  -4.194
  112   1HZ   LYS  71          3HZ       LYS  71  11.268   2.300  -5.918
  113   2HZ   LYS  71          1HZ       LYS  71  11.863   3.407  -4.776
  114   3HZ   LYS  71          2HZ       LYS  71  12.422   1.803  -4.774
  115    H    VAL  72           H        VAL  72   4.872   4.375  -2.745
  116    HA   VAL  72           HA       VAL  72   5.845   5.302  -0.167
  117    HB   VAL  72           HB       VAL  72   3.447   4.825   0.495
  118   1HG1  VAL  72          2HG1      VAL  72   4.361   7.131   0.138
  119   2HG1  VAL  72          3HG1      VAL  72   3.945   7.031  -1.615
  120   3HG1  VAL  72          1HG1      VAL  72   2.634   7.027  -0.378
  121   1HG2  VAL  72          1HG2      VAL  72   2.988   4.757  -2.563
  122   2HG2  VAL  72          2HG2      VAL  72   2.764   3.372  -1.424
  123   3HG2  VAL  72          3HG2      VAL  72   1.721   4.818  -1.295
  124    H    LYS  73           H        LYS  73   5.308   3.601   1.581
  125    HA   LYS  73           HA       LYS  73   6.176   1.085   0.533
  126   1HB   LYS  73          1HB       LYS  73   7.061   1.930   2.719
  127   2HB   LYS  73          2HB       LYS  73   5.398   1.905   3.391
  128   1HG   LYS  73          2HG       LYS  73   6.743  -0.009   4.170
  129   2HG   LYS  73          1HG       LYS  73   5.336  -0.580   3.225
  130   1HD   LYS  73          2HD       LYS  73   6.827  -0.940   1.232
  131   2HD   LYS  73          1HD       LYS  73   8.235  -0.349   2.186
  132   1HE   LYS  73          2HE       LYS  73   7.990  -2.278   3.760
  133   2HE   LYS  73          1HE       LYS  73   6.503  -2.823   2.876
  134   1HZ   LYS  73          2HZ       LYS  73   7.845  -3.082   0.900
  135   2HZ   LYS  73          3HZ       LYS  73   9.241  -2.597   1.738
  136   3HZ   LYS  73          1HZ       LYS  73   8.437  -4.026   2.180
  137    H    CYS  74           H        CYS  74   4.684  -0.119  -0.556
  138    HA   CYS  74           HA       CYS  74   1.974  -0.185   0.296
  139   1HB   CYS  74          1HB       CYS  74   2.850  -0.411  -2.117
  140   2HB   CYS  74          2HB       CYS  74   3.507  -2.001  -1.626
  141    H    ASP  75           H        ASP  75   1.070  -2.632   0.572
  142    HA   ASP  75           HA       ASP  75   2.716  -3.469   2.880
  143   1HB   ASP  75          2HB       ASP  75  -0.342  -3.169   2.697
  144   2HB   ASP  75          1HB       ASP  75   0.562  -3.855   4.106
  145    H    LYS  76           H        LYS  76  -0.062  -4.274   0.804
  146    HA   LYS  76           HA       LYS  76  -0.715  -6.106  -0.175
  147   1HB   LYS  76          1HB       LYS  76   1.905  -6.701  -0.423
  148   2HB   LYS  76          2HB       LYS  76   1.442  -8.011   0.708
  149   1HG   LYS  76          2HG       LYS  76   0.203  -7.342  -2.047
  150   2HG   LYS  76          1HG       LYS  76   1.393  -8.642  -1.709
  151   1HD   LYS  76          2HD       LYS  76  -0.291  -9.813  -0.270
  152   2HD   LYS  76          1HD       LYS  76  -1.483  -8.503  -0.600
  153   1HE   LYS  76          2HE       LYS  76  -1.934 -10.466  -2.049
  154   2HE   LYS  76          1HE       LYS  76  -1.416  -9.059  -3.058
  155   1HZ   LYS  76          1HZ       LYS  76   0.303 -11.313  -2.175
  156   2HZ   LYS  76          2HZ       LYS  76  -0.357 -11.085  -3.723
  157   3HZ   LYS  76          3HZ       LYS  76   0.793  -9.991  -3.121
  158    H    LEU  77           H        LEU  77  -1.768  -5.102   1.889
  159    HA   LEU  77           HA       LEU  77  -1.545  -6.223   4.273
  160   1HB   LEU  77          2HB       LEU  77  -2.476  -4.079   2.909
  161   2HB   LEU  77          1HB       LEU  77  -4.063  -4.853   3.043
  162    HG   LEU  77           HG       LEU  77  -3.010  -2.986   4.559
  163   1HD1  LEU  77          2HD2      LEU  77  -5.394  -3.730   4.684
  164   2HD1  LEU  77          3HD2      LEU  77  -4.923  -5.140   5.706
  165   3HD1  LEU  77          1HD2      LEU  77  -4.743  -3.461   6.342
  166   1HD2  LEU  77          2HD1      LEU  77  -1.182  -4.360   5.461
  167   2HD2  LEU  77          3HD1      LEU  77  -2.257  -3.795   6.807
  168   3HD2  LEU  77          1HD1      LEU  77  -2.377  -5.502   6.192
  169    H    ARG  78           H        ARG  78  -3.889  -6.580   1.809
  170    HA   ARG  78           HA       ARG  78  -5.382  -7.995   1.153
  171   1HB   ARG  78          2HB       ARG  78  -4.505  -9.710   3.445
  172   2HB   ARG  78          1HB       ARG  78  -6.032 -10.084   2.570
  173   1HG   ARG  78          2HG       ARG  78  -3.289  -9.805   1.189
  174   2HG   ARG  78          1HG       ARG  78  -3.988 -11.356   1.775
  175   1HD   ARG  78          2HD       ARG  78  -5.997 -11.024   0.291
  176   2HD   ARG  78          1HD       ARG  78  -5.213  -9.537  -0.407
  177    HE   ARG  78           HE       ARG  78  -3.300 -11.631  -0.577
  178   1HH1  ARG  78          1HH1      ARG  78  -6.572 -10.852  -1.763
  179   2HH1  ARG  78          2HH1      ARG  78  -6.392 -11.701  -3.262
  180   1HH2  ARG  78          1HH2      ARG  78  -3.063 -12.784  -2.619
  181   2HH2  ARG  78          2HH2      ARG  78  -4.371 -12.814  -3.756
  182    HA   PRO  79           HA       PRO  79  -7.498  -8.113   0.573
  183   1HB   PRO  79          2HB       PRO  79  -9.642  -6.383   0.043
  184   2HB   PRO  79          1HB       PRO  79  -9.811  -7.992   0.859
  185   1HG   PRO  79          2HG       PRO  79  -9.671  -5.228   2.150
  186   2HG   PRO  79          1HG       PRO  79 -10.754  -6.620   2.568
  187   1HD   PRO  79          2HD       PRO  79  -8.407  -6.050   3.973
  188   2HD   PRO  79          1HD       PRO  79  -8.972  -7.765   3.708
  189    H    HIS  80           H        HIS  80  -7.862  -4.602   1.543
  190    HA   HIS  80           HA       HIS  80  -6.221  -3.939  -0.799
  191   1HB   HIS  80          1HB       HIS  80  -8.304  -2.191   0.622
  192   2HB   HIS  80          2HB       HIS  80  -7.497  -1.849  -0.951
  193    HD1  HIS  80           HD1      HIS  80  -8.036  -4.309  -2.614
  194    HD2  HIS  80           HD2      HIS  80 -10.867  -2.932   0.161
  195    HE1  HIS  80           HE1      HIS  80 -10.317  -5.261  -3.266
  196    H    CYS  81           H        CYS  81  -4.824  -1.912  -0.397
  197    HA   CYS  81           HA       CYS  81  -3.651  -2.483   2.153
  198   1HB   CYS  81          2HB       CYS  81  -1.644  -1.533   1.467
  199   2HB   CYS  81          1HB       CYS  81  -2.258  -2.329  -0.001
  200    H    GLN  82           H        GLN  82  -2.425  -0.477   3.169
  201    HA   GLN  82           HA       GLN  82  -4.437   0.902   4.404
  202   1HB   GLN  82          1HB       GLN  82  -1.528   1.307   4.438
  203   2HB   GLN  82          2HB       GLN  82  -2.657   2.129   5.558
  204   1HG   GLN  82          2HG       GLN  82  -3.428  -0.078   6.446
  205   2HG   GLN  82          1HG       GLN  82  -2.329  -0.941   5.300
  206   1HE2  GLN  82          2HE2      GLN  82   0.294  -0.940   7.577
  207   2HE2  GLN  82          1HE2      GLN  82  -0.695  -1.776   6.423
  208    H    GLN  83           H        GLN  83  -2.779   1.880   1.454
  209    HA   GLN  83           HA       GLN  83  -3.362   4.662   1.837
  210   1HB   GLN  83          2HB       GLN  83  -1.466   3.922   0.369
  211   2HB   GLN  83          1HB       GLN  83  -2.644   3.123  -0.723
  212   1HG   GLN  83          2HG       GLN  83  -3.689   5.425  -1.189
  213   2HG   GLN  83          1HG       GLN  83  -2.423   6.150  -0.126
  214   1HE2  GLN  83          2HE2      GLN  83   0.033   6.193  -2.624
  215   2HE2  GLN  83          1HE2      GLN  83  -0.532   6.719  -1.073
  216    H    CYS  84           H        CYS  84  -4.587   1.985  -0.410
  217    HA   CYS  84           HA       CYS  84  -6.563   3.726  -1.212
  218   1HB   CYS  84          2HB       CYS  84  -7.367   1.761  -2.459
  219   2HB   CYS  84          1HB       CYS  84  -5.809   2.312  -2.924
  220    H    THR  85           H        THR  85  -6.665   1.626   1.543
  221    HA   THR  85           HA       THR  85  -9.398   1.073   0.998
  222    HB   THR  85           HB       THR  85  -8.014   1.092   3.757
  223    HG1  THR  85           HG1      THR  85  -7.014  -0.300   2.337
  224   1HG2  THR  85          3HG2      THR  85 -10.573  -0.309   2.699
  225   2HG2  THR  85          1HG2      THR  85  -9.831  -0.591   4.316
  226   3HG2  THR  85          2HG2      THR  85 -10.536   1.013   3.928
  227    H    LYS  86           H        LYS  86  -7.281   3.503   2.528
  228    HA   LYS  86           HA       LYS  86  -9.216   4.914   3.910
  229   1HB   LYS  86          1HB       LYS  86  -6.459   5.558   3.119
  230   2HB   LYS  86          2HB       LYS  86  -7.462   6.675   4.086
  231   1HG   LYS  86          2HG       LYS  86  -6.729   3.789   4.913
  232   2HG   LYS  86          1HG       LYS  86  -5.862   5.269   5.448
  233   1HD   LYS  86          2HD       LYS  86  -7.966   6.133   6.496
  234   2HD   LYS  86          1HD       LYS  86  -8.816   4.616   6.032
  235   1HE   LYS  86          2HE       LYS  86  -7.234   3.281   7.444
  236   2HE   LYS  86          1HE       LYS  86  -6.364   4.804   7.907
  237   1HZ   LYS  86          2HZ       LYS  86  -8.421   5.623   8.842
  238   2HZ   LYS  86          3HZ       LYS  86  -9.229   4.191   8.418
  239   3HZ   LYS  86          1HZ       LYS  86  -7.965   4.148   9.552
  240    H    THR  87           H        THR  87  -7.748   5.560   0.473
  241    HA   THR  87           HA       THR  87  -9.450   7.912   0.634
  242    HB   THR  87           HB       THR  87  -7.248   8.479   0.020
  243    HG1  THR  87           HG1      THR  87  -9.027   8.390  -2.181
  244   1HG2  THR  87          2HG2      THR  87  -7.552   6.414  -2.245
  245   2HG2  THR  87          3HG2      THR  87  -6.194   7.572  -2.059
  246   3HG2  THR  87          1HG2      THR  87  -6.437   6.273  -0.842
  247    H    GLY  88           H        GLY  88  -9.305   4.599  -0.434
  248   1HA   GLY  88          1HA       GLY  88 -11.153   3.495  -0.961
  249   2HA   GLY  88          2HA       GLY  88 -11.972   5.042  -1.434
  250    H    VAL  89           H        VAL  89  -8.712   3.912  -2.374
  251    HA   VAL  89           HA       VAL  89  -9.676   3.907  -5.090
  252    HB   VAL  89           HB       VAL  89  -7.393   4.262  -5.956
  253   1HG1  VAL  89          1HG1      VAL  89  -9.171   5.679  -5.709
  254   2HG1  VAL  89          2HG1      VAL  89  -8.618   6.077  -3.918
  255   3HG1  VAL  89          3HG1      VAL  89  -7.609   6.611  -5.362
  256   1HG2  VAL  89          3HG2      VAL  89  -6.855   4.604  -2.965
  257   2HG2  VAL  89          1HG2      VAL  89  -5.798   3.785  -4.194
  258   3HG2  VAL  89          2HG2      VAL  89  -5.978   5.575  -4.205
  259    H    ALA  90           H        ALA  90 -10.169   1.605  -3.626
  260    HA   ALA  90           HA       ALA  90  -7.839   0.092  -3.809
  261   1HB   ALA  90          2HB       ALA  90 -10.658  -0.865  -3.421
  262   2HB   ALA  90          1HB       ALA  90  -9.149  -1.882  -3.434
  263   3HB   ALA  90          3HB       ALA  90  -9.324  -0.553  -2.203
  264    H    HIS  91           H        HIS  91 -10.469   1.054  -5.880
  265    HA   HIS  91           HA       HIS  91 -10.502  -0.899  -7.883
  266   1HB   HIS  91          2HB       HIS  91 -11.500   0.931  -9.289
  267   2HB   HIS  91          1HB       HIS  91 -12.437   0.564  -7.778
  268    HD1  HIS  91           HD1      HIS  91 -10.888   2.477  -5.868
  269    HD2  HIS  91           HD2      HIS  91 -12.143   3.573  -9.704
  270    HE1  HIS  91           HE1      HIS  91 -10.784   4.981  -5.998
  271    H    LEU  92           H        LEU  92  -8.817   2.348  -7.382
  272    HA   LEU  92           HA       LEU  92  -7.469   1.744  -9.830
  273   1HB   LEU  92          1HB       LEU  92  -6.822   3.973  -7.837
  274   2HB   LEU  92          2HB       LEU  92  -6.362   3.874  -9.552
  275    HG   LEU  92           HG       LEU  92  -9.137   4.325  -8.388
  276   1HD1  LEU  92          1HD1      LEU  92  -7.690   6.334  -8.470
  277   2HD1  LEU  92          2HD1      LEU  92  -7.400   6.075 -10.233
  278   3HD1  LEU  92          3HD1      LEU  92  -9.058   6.471  -9.640
  279   1HD2  LEU  92          3HD2      LEU  92  -8.347   3.771 -11.312
  280   2HD2  LEU  92          1HD2      LEU  92  -9.396   2.766 -10.247
  281   3HD2  LEU  92          2HD2      LEU  92  -9.967   4.395 -10.781
  282    H    CYS  93           H        CYS  93  -7.083   0.481  -7.027
  283    HA   CYS  93           HA       CYS  93  -4.084   0.491  -7.274
  284   1HB   CYS  93          1HB       CYS  93  -4.983   2.279  -5.650
  285   2HB   CYS  93          2HB       CYS  93  -5.458   0.919  -4.603
  286    H    HIS  94           H        HIS  94  -3.957  -1.575  -7.961
  287    HA   HIS  94           HA       HIS  94  -4.885  -3.665  -6.104
  288   1HB   HIS  94          2HB       HIS  94  -4.611  -3.544  -9.171
  289   2HB   HIS  94          1HB       HIS  94  -4.663  -5.097  -8.283
  290    HD1  HIS  94           HD1      HIS  94  -6.872  -2.015  -8.958
  291    HD2  HIS  94           HD2      HIS  94  -7.240  -5.949  -7.543
  292    HE1  HIS  94           HE1      HIS  94  -9.360  -2.544  -8.714
  293    H    TYR  95           H        TYR  95  -3.326  -5.422  -5.787
  294    HA   TYR  95           HA       TYR  95  -0.636  -4.586  -6.265
  295   1HB   TYR  95          1HB       TYR  95  -1.411  -7.405  -5.409
  296   2HB   TYR  95          2HB       TYR  95   0.149  -6.531  -5.116
  297    HD1  TYR  95           HD1      TYR  95  -0.067  -4.311  -3.537
  298    HD2  TYR  95           HD2      TYR  95  -3.003  -7.431  -3.883
  299    HE1  TYR  95           HE1      TYR  95  -1.193  -3.437  -1.687
  300    HE2  TYR  95           HE2      TYR  95  -3.980  -6.701  -1.766
  301    HH   TYR  95           HH       TYR  95  -2.768  -3.882  -0.018
  302    H    MET  96           H        MET  96   0.896  -5.692  -7.571
  303    HA   MET  96           HA       MET  96  -0.131  -6.401 -10.075
  304   1HB   MET  96          1HB       MET  96   2.621  -6.671  -9.052
  305   2HB   MET  96          2HB       MET  96   2.153  -6.710 -10.782
  306   1HG   MET  96          2HG       MET  96   1.283  -4.362 -10.578
  307   2HG   MET  96          1HG       MET  96   1.796  -4.310  -8.866
  308   1HE   MET  96          2HE       MET  96   2.368  -2.143 -10.762
  309   2HE   MET  96          3HE       MET  96   3.021  -2.171  -9.089
  310   3HE   MET  96          1HE       MET  96   4.093  -1.747 -10.467
  311    H    GLU  97           H        GLU  97   0.070  -8.359 -11.214
  312    HA   GLU  97           HA       GLU  97  -0.154 -10.454 -11.576
  313   1HB   GLU  97          1HB       GLU  97   1.622 -11.003  -9.143
  314   2HB   GLU  97          2HB       GLU  97   0.887 -12.271 -10.176
  315   1HG   GLU  97          2HG       GLU  97   3.117 -12.005 -10.951
  316   2HG   GLU  97          1HG       GLU  97   2.022 -11.304 -12.202
  317    H    GLN  98           H        GLN  98  -0.085 -11.603  -8.310
  318    HA   GLN  98           HA       GLN  98  -1.532 -12.480  -6.995
  319   1HB   GLN  98          1HB       GLN  98  -3.724 -10.671  -8.144
  320   2HB   GLN  98          2HB       GLN  98  -3.841 -11.693  -6.673
  321   1HG   GLN  98          2HG       GLN  98  -2.080 -10.337  -5.548
  322   2HG   GLN  98          1HG       GLN  98  -1.915  -9.305  -7.025
  323   1HE2  GLN  98          2HE2      GLN  98  -5.292  -9.097  -4.571
  324   2HE2  GLN  98          1HE2      GLN  98  -4.188 -10.428  -4.463
  325    H    THR  99           H        THR  99  -0.874 -13.928  -9.150
  326    HA   THR  99           HA       THR  99  -3.410 -15.219  -9.851
  327    HB   THR  99           HB       THR  99  -2.365 -14.486 -11.903
  328    HG1  THR  99           HG1      THR  99  -1.874 -17.222 -11.358
  329   1HG2  THR  99          2HG2      THR  99   0.001 -14.186 -11.046
  330   2HG2  THR  99          3HG2      THR  99   0.199 -15.980 -10.993
  331   3HG2  THR  99          1HG2      THR  99  -0.085 -15.153 -12.559
  332    H    TRP 100           H        TRP 100  -0.248 -15.208  -8.422
  333    HA   TRP 100           HA       TRP 100  -0.211 -18.012  -7.865
  334   1HB   TRP 100          2HB       TRP 100   1.733 -17.370  -6.361
  335   2HB   TRP 100          1HB       TRP 100   1.942 -16.902  -8.088
  336    HD1  TRP 100           HD1      TRP 100   1.627 -14.166  -8.663
  337    HE1  TRP 100           HE1      TRP 100   2.045 -12.126  -7.168
  338    HE3  TRP 100           HE3      TRP 100   1.640 -16.517  -4.167
  339    HZ2  TRP 100           HZ2      TRP 100   2.363 -11.606  -4.405
  340    HZ3  TRP 100           HZ3      TRP 100   2.001 -15.195  -2.133
  341    HH2  TRP 100           HH2      TRP 100   2.358 -12.778  -2.250
   
  No H/Q in entry =         341
  Start of MODEL    8
    1   1H    ILE  60          2H        ILE  60   4.360  -8.061  -0.485
    2   2H    ILE  60          3H        ILE  60   5.142  -9.545  -0.215
    3   3H    ILE  60          1H        ILE  60   4.205  -8.843   1.014
    4    HA   ILE  60           HA       ILE  60   5.675  -7.038   1.172
    5    HB   ILE  60           HB       ILE  60   6.953  -9.647   1.575
    6   1HG1  ILE  60          2HG1      ILE  60   6.439  -8.811   4.030
    7   2HG1  ILE  60          1HG1      ILE  60   5.202  -7.786   3.235
    8   1HG2  ILE  60          2HG2      ILE  60   7.846  -6.831   2.462
    9   2HG2  ILE  60          3HG2      ILE  60   8.446  -8.357   3.199
   10   3HG2  ILE  60          1HG2      ILE  60   8.806  -8.014   1.486
   11   1HD1  ILE  60          2HD1      ILE  60   5.416 -10.872   2.984
   12   2HD1  ILE  60          3HD1      ILE  60   4.334 -10.004   4.134
   13   3HD1  ILE  60          1HD1      ILE  60   4.063  -9.852   2.366
   14    HA   PRO  61           HA       PRO  61   8.838  -7.298  -2.262
   15   1HB   PRO  61          2HB       PRO  61   7.579  -9.395  -4.079
   16   2HB   PRO  61          1HB       PRO  61   9.338  -9.022  -3.879
   17   1HG   PRO  61          2HG       PRO  61   8.251 -11.243  -2.692
   18   2HG   PRO  61          1HG       PRO  61   9.419 -10.203  -1.769
   19   1HD   PRO  61          2HD       PRO  61   6.357 -10.216  -1.593
   20   2HD   PRO  61          1HD       PRO  61   7.606 -10.107  -0.270
   21    H    LEU  62           H        LEU  62   5.396  -8.216  -3.064
   22    HA   LEU  62           HA       LEU  62   5.452  -6.444  -5.300
   23   1HB   LEU  62          2HB       LEU  62   3.033  -7.772  -3.966
   24   2HB   LEU  62          1HB       LEU  62   3.023  -6.885  -5.522
   25    HG   LEU  62           HG       LEU  62   4.343  -9.584  -4.925
   26   1HD1  LEU  62          2HD1      LEU  62   2.125  -8.612  -6.833
   27   2HD1  LEU  62          3HD1      LEU  62   2.766 -10.296  -6.787
   28   3HD1  LEU  62          1HD1      LEU  62   1.903  -9.615  -5.355
   29   1HD2  LEU  62          2HD2      LEU  62   4.622  -7.855  -7.465
   30   2HD2  LEU  62          3HD2      LEU  62   5.950  -8.384  -6.363
   31   3HD2  LEU  62          1HD2      LEU  62   5.061  -9.598  -7.337
   32    H    SER  63           H        SER  63   4.051  -4.713  -5.667
   33    HA   SER  63           HA       SER  63   2.973  -3.398  -3.319
   34   1HB   SER  63          2HB       SER  63   3.963  -1.175  -4.138
   35   2HB   SER  63          1HB       SER  63   5.268  -2.313  -3.618
   36    HG   SER  63           HG       SER  63   5.653  -1.340  -5.630
   37    H    CYS  64           H        CYS  64   1.452  -1.667  -4.008
   38    HA   CYS  64           HA       CYS  64   0.089  -2.735  -6.281
   39   1HB   CYS  64          2HB       CYS  64  -1.847  -1.489  -5.705
   40   2HB   CYS  64          1HB       CYS  64  -1.225  -2.249  -4.218
   41    H    THR  65           H        THR  65  -1.038  -0.973  -7.770
   42    HA   THR  65           HA       THR  65   1.306  -0.147  -9.070
   43    HB   THR  65           HB       THR  65  -0.115   0.407 -10.976
   44    HG1  THR  65           HG1      THR  65  -2.215  -0.225  -9.170
   45   1HG2  THR  65          3HG2      THR  65   0.505  -2.061 -10.294
   46   2HG2  THR  65          1HG2      THR  65  -1.175  -2.183  -9.660
   47   3HG2  THR  65          2HG2      THR  65  -0.910  -1.851 -11.395
   48    H    ILE  66           H        ILE  66  -0.874   1.575  -6.985
   49    HA   ILE  66           HA       ILE  66  -0.142   4.110  -8.185
   50    HB   ILE  66           HB       ILE  66  -1.488   4.230  -5.641
   51   1HG1  ILE  66          2HG1      ILE  66  -3.753   4.013  -6.931
   52   2HG1  ILE  66          1HG1      ILE  66  -2.882   2.924  -8.066
   53   1HG2  ILE  66          2HG2      ILE  66  -0.819   6.174  -7.038
   54   2HG2  ILE  66          3HG2      ILE  66  -1.815   5.553  -8.406
   55   3HG2  ILE  66          1HG2      ILE  66  -2.609   6.093  -6.879
   56   1HD1  ILE  66          1HD1      ILE  66  -2.818   2.480  -5.022
   57   2HD1  ILE  66          2HD1      ILE  66  -4.175   1.879  -6.037
   58   3HD1  ILE  66          3HD1      ILE  66  -2.509   1.286  -6.341
   59    H    CYS  67           H        CYS  67   0.523   1.993  -5.411
   60    HA   CYS  67           HA       CYS  67   1.981   3.935  -3.965
   61   1HB   CYS  67          1HB       CYS  67   1.951   0.877  -3.861
   62   2HB   CYS  67          2HB       CYS  67   3.124   1.837  -2.913
   63    H    ARG  68           H        ARG  68   2.742   1.781  -6.653
   64    HA   ARG  68           HA       ARG  68   5.560   2.009  -6.289
   65   1HB   ARG  68          2HB       ARG  68   4.390   0.027  -7.354
   66   2HB   ARG  68          1HB       ARG  68   3.938   1.086  -8.733
   67   1HG   ARG  68          2HG       ARG  68   6.332   1.357  -9.338
   68   2HG   ARG  68          1HG       ARG  68   6.832   0.517  -7.826
   69   1HD   ARG  68          2HD       ARG  68   5.751  -1.610  -8.665
   70   2HD   ARG  68          1HD       ARG  68   5.229  -0.736 -10.160
   71    HE   ARG  68           HE       ARG  68   7.474  -0.672 -10.923
   72   1HH1  ARG  68          1HH1      ARG  68   7.314  -1.987  -7.598
   73   2HH1  ARG  68          2HH1      ARG  68   8.936  -2.596  -7.621
   74   1HH2  ARG  68          1HH2      ARG  68   9.652  -1.501 -10.925
   75   2HH2  ARG  68          2HH2      ARG  68  10.280  -2.317  -9.532
   76    H    LYS  69           H        LYS  69   2.939   3.774  -7.834
   77    HA   LYS  69           HA       LYS  69   4.511   5.108  -9.731
   78   1HB   LYS  69          2HB       LYS  69   2.023   4.762  -9.864
   79   2HB   LYS  69          1HB       LYS  69   1.832   6.010  -8.584
   80   1HG   LYS  69          2HG       LYS  69   2.935   7.697 -10.137
   81   2HG   LYS  69          1HG       LYS  69   3.151   6.387 -11.345
   82   1HD   LYS  69          2HD       LYS  69   1.234   7.673 -12.019
   83   2HD   LYS  69          1HD       LYS  69   0.642   6.083 -11.423
   84   1HE   LYS  69          2HE       LYS  69  -0.824   7.941 -10.637
   85   2HE   LYS  69          1HE       LYS  69   0.012   7.202  -9.213
   86   1HZ   LYS  69          2HZ       LYS  69   0.876   9.652 -10.659
   87   2HZ   LYS  69          3HZ       LYS  69   0.038   9.603  -9.181
   88   3HZ   LYS  69          1HZ       LYS  69   1.613   8.973  -9.288
   89    H    ARG  70           H        ARG  70   3.212   6.077  -6.407
   90    HA   ARG  70           HA       ARG  70   4.541   8.569  -6.631
   91   1HB   ARG  70          2HB       ARG  70   3.952   7.411  -3.917
   92   2HB   ARG  70          1HB       ARG  70   3.784   9.100  -4.481
   93   1HG   ARG  70          2HG       ARG  70   1.906   6.727  -5.059
   94   2HG   ARG  70          1HG       ARG  70   1.633   8.033  -3.902
   95   1HD   ARG  70          2HD       ARG  70   1.556   9.714  -5.795
   96   2HD   ARG  70          1HD       ARG  70   1.663   8.339  -6.978
   97    HE   ARG  70           HE       ARG  70  -0.400   7.579  -5.289
   98   1HH1  ARG  70          1HH1      ARG  70   0.332  10.551  -7.131
   99   2HH1  ARG  70          2HH1      ARG  70  -1.330  10.966  -7.388
  100   1HH2  ARG  70          1HH2      ARG  70  -2.637   8.153  -5.646
  101   2HH2  ARG  70          2HH2      ARG  70  -3.041   9.586  -6.533
  102    H    LYS  71           H        LYS  71   5.228   5.350  -5.387
  103    HA   LYS  71           HA       LYS  71   6.939   4.343  -4.625
  104   1HB   LYS  71          2HB       LYS  71   8.481   5.700  -6.111
  105   2HB   LYS  71          1HB       LYS  71   8.752   6.791  -4.710
  106   1HG   LYS  71          2HG       LYS  71   9.078   4.031  -3.800
  107   2HG   LYS  71          1HG       LYS  71   9.959   4.217  -5.340
  108   1HD   LYS  71          2HD       LYS  71  11.162   6.226  -4.388
  109   2HD   LYS  71          1HD       LYS  71  10.234   6.022  -2.854
  110   1HE   LYS  71          2HE       LYS  71  11.285   3.766  -2.509
  111   2HE   LYS  71          1HE       LYS  71  12.225   3.971  -4.044
  112   1HZ   LYS  71          3HZ       LYS  71  12.360   5.736  -1.655
  113   2HZ   LYS  71          1HZ       LYS  71  13.499   4.562  -2.111
  114   3HZ   LYS  71          2HZ       LYS  71  13.245   5.923  -3.092
  115    H    VAL  72           H        VAL  72   5.585   4.138  -2.865
  116    HA   VAL  72           HA       VAL  72   6.585   5.316  -0.455
  117    HB   VAL  72           HB       VAL  72   4.059   5.024   0.246
  118   1HG1  VAL  72          1HG1      VAL  72   5.366   7.175   0.366
  119   2HG1  VAL  72          2HG1      VAL  72   4.961   7.511  -1.360
  120   3HG1  VAL  72          3HG1      VAL  72   3.654   7.469  -0.121
  121   1HG2  VAL  72          1HG2      VAL  72   3.673   5.645  -2.754
  122   2HG2  VAL  72          2HG2      VAL  72   3.193   4.137  -1.887
  123   3HG2  VAL  72          3HG2      VAL  72   2.411   5.701  -1.491
  124    H    LYS  73           H        LYS  73   6.022   3.581   1.261
  125    HA   LYS  73           HA       LYS  73   6.345   1.081  -0.098
  126   1HB   LYS  73          2HB       LYS  73   7.423   1.786   2.220
  127   2HB   LYS  73          1HB       LYS  73   5.881   1.025   2.767
  128   1HG   LYS  73          2HG       LYS  73   6.476  -0.974   1.221
  129   2HG   LYS  73          1HG       LYS  73   8.094  -0.219   1.026
  130   1HD   LYS  73          2HD       LYS  73   8.429  -0.390   3.517
  131   2HD   LYS  73          1HD       LYS  73   6.783  -1.116   3.667
  132   1HE   LYS  73          2HE       LYS  73   7.497  -3.062   2.250
  133   2HE   LYS  73          1HE       LYS  73   9.155  -2.345   2.101
  134   1HZ   LYS  73          2HZ       LYS  73   7.810  -3.124   4.636
  135   2HZ   LYS  73          3HZ       LYS  73   9.014  -4.006   3.823
  136   3HZ   LYS  73          1HZ       LYS  73   9.375  -2.481   4.481
  137    H    CYS  74           H        CYS  74   4.869  -0.315  -0.608
  138    HA   CYS  74           HA       CYS  74   2.139   0.057   0.107
  139   1HB   CYS  74          1HB       CYS  74   3.087  -0.824  -2.114
  140   2HB   CYS  74          2HB       CYS  74   3.433  -2.358  -1.253
  141    H    ASP  75           H        ASP  75   0.969  -2.216   0.737
  142    HA   ASP  75           HA       ASP  75   2.259  -2.785   3.338
  143   1HB   ASP  75          2HB       ASP  75  -0.730  -2.357   2.785
  144   2HB   ASP  75          1HB       ASP  75  -0.003  -2.715   4.387
  145    H    LYS  76           H        LYS  76   0.271  -3.845   0.598
  146    HA   LYS  76           HA       LYS  76  -0.778  -5.552   0.055
  147   1HB   LYS  76          2HB       LYS  76   1.708  -6.170  -0.008
  148   2HB   LYS  76          1HB       LYS  76   1.357  -7.276   1.358
  149   1HG   LYS  76          2HG       LYS  76  -0.239  -8.534  -0.076
  150   2HG   LYS  76          1HG       LYS  76  -0.162  -7.256  -1.345
  151   1HD   LYS  76          2HD       LYS  76   2.224  -7.629  -1.670
  152   2HD   LYS  76          1HD       LYS  76   2.242  -8.871  -0.363
  153   1HE   LYS  76          2HE       LYS  76   0.624 -10.297  -1.712
  154   2HE   LYS  76          1HE       LYS  76   0.791  -9.125  -3.086
  155   1HZ   LYS  76          3HZ       LYS  76   2.992 -10.655  -1.787
  156   2HZ   LYS  76          1HZ       LYS  76   2.269 -11.001  -3.285
  157   3HZ   LYS  76          2HZ       LYS  76   3.157  -9.566  -3.080
  158    H    LEU  77           H        LEU  77  -2.217  -4.614   2.035
  159    HA   LEU  77           HA       LEU  77  -2.753  -6.861   3.826
  160   1HB   LEU  77          2HB       LEU  77  -4.412  -4.295   3.470
  161   2HB   LEU  77          1HB       LEU  77  -4.581  -5.537   4.751
  162    HG   LEU  77           HG       LEU  77  -2.625  -3.256   4.459
  163   1HD1  LEU  77          3HD2      LEU  77  -4.679  -3.009   5.824
  164   2HD1  LEU  77          1HD2      LEU  77  -4.251  -4.472   6.790
  165   3HD1  LEU  77          2HD2      LEU  77  -3.229  -2.996   6.901
  166   1HD2  LEU  77          3HD1      LEU  77  -1.971  -5.792   6.072
  167   2HD2  LEU  77          1HD1      LEU  77  -1.022  -5.032   4.726
  168   3HD2  LEU  77          2HD1      LEU  77  -1.190  -4.174   6.291
  169    H    ARG  78           H        ARG  78  -4.603  -8.200   3.432
  170    HA   ARG  78           HA       ARG  78  -5.712  -7.846   0.777
  171   1HB   ARG  78          2HB       ARG  78  -5.883 -10.025   2.892
  172   2HB   ARG  78          1HB       ARG  78  -7.145  -9.904   1.618
  173   1HG   ARG  78          2HG       ARG  78  -5.428 -11.541   0.990
  174   2HG   ARG  78          1HG       ARG  78  -5.509 -10.175  -0.176
  175   1HD   ARG  78          2HD       ARG  78  -3.409  -9.211   0.718
  176   2HD   ARG  78          1HD       ARG  78  -3.378 -10.468   2.042
  177    HE   ARG  78           HE       ARG  78  -3.533 -11.620  -0.662
  178   1HH1  ARG  78          1HH1      ARG  78  -1.390 -10.227   1.831
  179   2HH1  ARG  78          2HH1      ARG  78   0.032 -11.038   1.266
  180   1HH2  ARG  78          1HH2      ARG  78  -1.593 -12.715  -1.419
  181   2HH2  ARG  78          2HH2      ARG  78  -0.085 -12.468  -0.603
  182    HA   PRO  79           HA       PRO  79  -7.704  -7.865  -0.272
  183   1HB   PRO  79          2HB       PRO  79  -9.808  -6.216  -1.078
  184   2HB   PRO  79          1HB       PRO  79 -10.030  -7.881  -0.406
  185   1HG   PRO  79          2HG       PRO  79 -10.306  -5.214   1.052
  186   2HG   PRO  79          1HG       PRO  79 -11.356  -6.684   1.174
  187   1HD   PRO  79          2HD       PRO  79  -9.324  -6.046   3.003
  188   2HD   PRO  79          1HD       PRO  79  -9.769  -7.772   2.611
  189    H    HIS  80           H        HIS  80  -8.502  -4.412   0.767
  190    HA   HIS  80           HA       HIS  80  -6.649  -3.481  -1.244
  191   1HB   HIS  80          2HB       HIS  80  -7.909  -1.497   0.567
  192   2HB   HIS  80          1HB       HIS  80  -7.923  -1.556  -1.228
  193    HD1  HIS  80           HD1      HIS  80 -10.208  -1.476   1.436
  194    HD2  HIS  80           HD2      HIS  80  -9.945  -3.933  -1.956
  195    HE1  HIS  80           HE1      HIS  80 -12.527  -2.443   0.969
  196    H    CYS  81           H        CYS  81  -5.125  -1.622  -0.529
  197    HA   CYS  81           HA       CYS  81  -3.833  -2.688   1.894
  198   1HB   CYS  81          2HB       CYS  81  -1.799  -1.962   1.129
  199   2HB   CYS  81          1HB       CYS  81  -2.597  -2.375  -0.409
  200    H    GLN  82           H        GLN  82  -2.695  -0.806   3.213
  201    HA   GLN  82           HA       GLN  82  -4.775   0.548   4.369
  202   1HB   GLN  82          2HB       GLN  82  -1.789   1.173   4.608
  203   2HB   GLN  82          1HB       GLN  82  -3.064   1.733   5.746
  204   1HG   GLN  82          2HG       GLN  82  -3.550  -0.589   6.435
  205   2HG   GLN  82          1HG       GLN  82  -2.424  -1.232   5.176
  206   1HE2  GLN  82          2HE2      GLN  82  -0.075  -1.493   7.762
  207   2HE2  GLN  82          1HE2      GLN  82  -1.240  -2.314   6.769
  208    H    GLN  83           H        GLN  83  -2.640   1.680   1.783
  209    HA   GLN  83           HA       GLN  83  -3.168   4.411   2.223
  210   1HB   GLN  83          2HB       GLN  83  -1.203   3.617   0.929
  211   2HB   GLN  83          1HB       GLN  83  -2.290   2.993  -0.353
  212   1HG   GLN  83          2HG       GLN  83  -2.964   5.261  -0.996
  213   2HG   GLN  83          1HG       GLN  83  -2.262   5.954   0.525
  214   1HE2  GLN  83          2HE2      GLN  83   0.074   5.383  -2.778
  215   2HE2  GLN  83          1HE2      GLN  83  -1.652   5.197  -2.787
  216    H    CYS  84           H        CYS  84  -4.553   2.068  -0.443
  217    HA   CYS  84           HA       CYS  84  -6.388   3.952  -1.003
  218   1HB   CYS  84          1HB       CYS  84  -6.491   1.265  -2.105
  219   2HB   CYS  84          2HB       CYS  84  -6.667   2.679  -2.754
  220    H    THR  85           H        THR  85  -6.546   1.854   1.682
  221    HA   THR  85           HA       THR  85  -9.366   1.413   1.361
  222    HB   THR  85           HB       THR  85  -7.729   1.494   3.951
  223    HG1  THR  85           HG1      THR  85  -8.534  -0.687   2.332
  224   1HG2  THR  85          3HG2      THR  85 -10.490   0.271   3.224
  225   2HG2  THR  85          1HG2      THR  85  -9.638   0.053   4.795
  226   3HG2  THR  85          2HG2      THR  85 -10.237   1.676   4.329
  227    H    LYS  86           H        LYS  86  -7.021   3.764   2.735
  228    HA   LYS  86           HA       LYS  86  -8.911   5.363   3.976
  229   1HB   LYS  86          2HB       LYS  86  -6.079   5.749   3.316
  230   2HB   LYS  86          1HB       LYS  86  -7.050   7.019   4.118
  231   1HG   LYS  86          2HG       LYS  86  -7.545   5.447   6.008
  232   2HG   LYS  86          1HG       LYS  86  -6.639   4.149   5.168
  233   1HD   LYS  86          2HD       LYS  86  -5.209   5.034   6.899
  234   2HD   LYS  86          1HD       LYS  86  -4.534   5.503   5.301
  235   1HE   LYS  86          2HE       LYS  86  -4.363   7.372   6.941
  236   2HE   LYS  86          1HE       LYS  86  -5.502   7.836   5.615
  237   1HZ   LYS  86          3HZ       LYS  86  -6.267   6.754   8.280
  238   2HZ   LYS  86          1HZ       LYS  86  -6.333   8.383   7.801
  239   3HZ   LYS  86          2HZ       LYS  86  -7.327   7.233   7.042
  240    H    THR  87           H        THR  87  -7.305   5.659   0.606
  241    HA   THR  87           HA       THR  87  -8.739   8.173   0.472
  242    HB   THR  87           HB       THR  87  -6.585   8.571  -0.220
  243    HG1  THR  87           HG1      THR  87  -8.184   9.358  -1.575
  244   1HG2  THR  87          1HG2      THR  87  -6.784   5.933  -1.814
  245   2HG2  THR  87          2HG2      THR  87  -5.562   7.215  -2.161
  246   3HG2  THR  87          3HG2      THR  87  -5.588   6.430  -0.546
  247    H    GLY  88           H        GLY  88  -8.911   4.753  -0.459
  248   1HA   GLY  88          1HA       GLY  88 -10.891   3.850  -0.905
  249   2HA   GLY  88          2HA       GLY  88 -11.546   5.466  -1.399
  250    H    VAL  89           H        VAL  89  -8.517   3.784  -2.351
  251    HA   VAL  89           HA       VAL  89  -9.632   3.569  -5.009
  252    HB   VAL  89           HB       VAL  89  -7.705   3.698  -6.206
  253   1HG1  VAL  89          1HG1      VAL  89  -8.974   5.546  -5.186
  254   2HG1  VAL  89          2HG1      VAL  89  -7.646   5.579  -3.819
  255   3HG1  VAL  89          3HG1      VAL  89  -7.263   6.089  -5.576
  256   1HG2  VAL  89          1HG2      VAL  89  -5.933   4.366  -3.738
  257   2HG2  VAL  89          2HG2      VAL  89  -5.662   3.024  -4.915
  258   3HG2  VAL  89          3HG2      VAL  89  -5.633   4.721  -5.500
  259    H    ALA  90           H        ALA  90 -10.405   1.707  -3.467
  260    HA   ALA  90           HA       ALA  90  -8.263  -0.022  -3.331
  261   1HB   ALA  90          2HB       ALA  90 -11.313  -0.673  -3.439
  262   2HB   ALA  90          3HB       ALA  90 -10.046  -1.909  -3.090
  263   3HB   ALA  90          1HB       ALA  90 -10.307  -0.525  -1.941
  264    H    HIS  91           H        HIS  91 -10.482   1.228  -5.711
  265    HA   HIS  91           HA       HIS  91 -10.776  -0.721  -7.677
  266   1HB   HIS  91          2HB       HIS  91 -11.275   1.266  -9.152
  267   2HB   HIS  91          1HB       HIS  91 -12.313   1.203  -7.699
  268    HD1  HIS  91           HD1      HIS  91  -9.739   3.312  -9.617
  269    HD2  HIS  91           HD2      HIS  91 -11.612   3.116  -5.985
  270    HE1  HIS  91           HE1      HIS  91  -9.255   5.496  -8.335
  271    H    LEU  92           H        LEU  92  -8.458   2.093  -7.102
  272    HA   LEU  92           HA       LEU  92  -7.023   0.963  -9.360
  273   1HB   LEU  92          2HB       LEU  92  -5.942   2.918  -7.309
  274   2HB   LEU  92          1HB       LEU  92  -5.077   2.445  -8.805
  275    HG   LEU  92           HG       LEU  92  -7.831   3.352  -9.291
  276   1HD1  LEU  92          3HD2      LEU  92  -6.028   5.027  -7.625
  277   2HD1  LEU  92          1HD2      LEU  92  -7.078   5.851  -8.886
  278   3HD1  LEU  92          2HD2      LEU  92  -7.811   4.748  -7.659
  279   1HD2  LEU  92          1HD1      LEU  92  -6.067   3.027 -11.088
  280   2HD2  LEU  92          2HD1      LEU  92  -6.699   4.726 -11.058
  281   3HD2  LEU  92          3HD1      LEU  92  -5.089   4.344 -10.323
  282    H    CYS  93           H        CYS  93  -7.185   0.182  -6.293
  283    HA   CYS  93           HA       CYS  93  -4.371  -0.435  -5.916
  284   1HB   CYS  93          2HB       CYS  93  -5.604   0.291  -3.963
  285   2HB   CYS  93          1HB       CYS  93  -6.636  -1.151  -3.975
  286    H    HIS  94           H        HIS  94  -3.523  -1.988  -7.147
  287    HA   HIS  94           HA       HIS  94  -4.314  -4.638  -6.282
  288   1HB   HIS  94          2HB       HIS  94  -3.995  -3.863  -9.252
  289   2HB   HIS  94          1HB       HIS  94  -3.921  -5.540  -8.594
  290    HD1  HIS  94           HD1      HIS  94  -6.320  -6.291  -7.352
  291    HD2  HIS  94           HD2      HIS  94  -6.536  -2.884  -9.788
  292    HE1  HIS  94           HE1      HIS  94  -8.786  -5.808  -7.825
  293    H    TYR  95           H        TYR  95  -2.496  -5.814  -5.896
  294    HA   TYR  95           HA       TYR  95   0.005  -4.794  -6.951
  295   1HB   TYR  95          2HB       TYR  95   0.270  -7.250  -5.430
  296   2HB   TYR  95          1HB       TYR  95   0.994  -5.633  -5.101
  297    HD1  TYR  95           HD2      TYR  95  -2.162  -7.545  -4.483
  298    HD2  TYR  95           HD1      TYR  95   0.369  -4.279  -3.289
  299    HE1  TYR  95           HE2      TYR  95  -3.731  -6.933  -2.679
  300    HE2  TYR  95           HE1      TYR  95  -1.214  -3.664  -1.630
  301    HH   TYR  95           HH       TYR  95  -4.272  -5.405  -1.141
  302    H    MET  96           H        MET  96   1.255  -6.220  -8.169
  303    HA   MET  96           HA       MET  96   0.018  -8.614  -9.193
  304   1HB   MET  96          2HB       MET  96  -0.137  -7.775 -11.563
  305   2HB   MET  96          1HB       MET  96  -1.292  -6.956 -10.469
  306   1HG   MET  96          2HG       MET  96   0.238  -5.000 -10.265
  307   2HG   MET  96          1HG       MET  96   1.394  -5.755 -11.401
  308   1HE   MET  96          2HE       MET  96   1.232  -6.000 -13.811
  309   2HE   MET  96          3HE       MET  96  -0.191  -7.092 -13.689
  310   3HE   MET  96          1HE       MET  96  -0.217  -5.712 -14.833
  311    H    GLU  97           H        GLU  97   1.283  -9.503 -11.047
  312    HA   GLU  97           HA       GLU  97   3.011 -10.088 -12.139
  313   1HB   GLU  97          2HB       GLU  97   3.099  -7.584 -12.736
  314   2HB   GLU  97          1HB       GLU  97   4.393  -7.430 -11.509
  315   1HG   GLU  97          2HG       GLU  97   5.417  -7.618 -13.708
  316   2HG   GLU  97          1HG       GLU  97   5.759  -9.156 -12.838
  317    H    GLN  98           H        GLN  98   3.497 -11.790 -10.739
  318    HA   GLN  98           HA       GLN  98   5.969 -11.344  -9.236
  319   1HB   GLN  98          2HB       GLN  98   5.205 -13.151  -7.630
  320   2HB   GLN  98          1HB       GLN  98   4.292 -11.622  -7.489
  321   1HG   GLN  98          2HG       GLN  98   2.396 -12.582  -8.812
  322   2HG   GLN  98          1HG       GLN  98   3.285 -14.148  -8.968
  323   1HE2  GLN  98          2HE2      GLN  98   2.352 -15.362  -5.841
  324   2HE2  GLN  98          1HE2      GLN  98   2.973 -15.639  -7.434
  325    H    THR  99           H        THR  99   4.562 -12.496 -11.909
  326    HA   THR  99           HA       THR  99   5.611 -15.183 -11.739
  327    HB   THR  99           HB       THR  99   3.329 -14.959 -12.480
  328    HG1  THR  99           HG1      THR  99   4.634 -16.540 -13.397
  329   1HG2  THR  99          1HG2      THR  99   3.496 -12.608 -13.432
  330   2HG2  THR  99          2HG2      THR  99   4.407 -13.262 -14.845
  331   3HG2  THR  99          3HG2      THR  99   2.715 -13.777 -14.547
  332    H    TRP 100           H        TRP 100   6.561 -12.059 -12.795
  333    HA   TRP 100           HA       TRP 100   8.045 -12.835 -15.048
  334   1HB   TRP 100          2HB       TRP 100   9.177 -10.699 -14.916
  335   2HB   TRP 100          1HB       TRP 100   7.433 -10.445 -14.568
  336    HD1  TRP 100           HD1      TRP 100   7.016 -10.548 -11.583
  337    HE1  TRP 100           HE1      TRP 100   8.331  -9.129  -9.913
  338    HE3  TRP 100           HE3      TRP 100  11.127  -9.672 -14.424
  339    HZ2  TRP 100           HZ2      TRP 100  10.862  -7.863  -9.798
  340    HZ3  TRP 100           HZ3      TRP 100  12.975  -8.377 -13.469
  341    HH2  TRP 100           HH2      TRP 100  12.847  -7.485 -11.197
   
  No H/Q in entry =         341
  Start of MODEL    9
    1   1H    ILE  60          3H        ILE  60  13.003  -6.930  -3.715
    2   2H    ILE  60          1H        ILE  60  12.237  -6.440  -5.157
    3   3H    ILE  60          2H        ILE  60  13.677  -5.685  -4.663
    4    HA   ILE  60           HA       ILE  60  12.643  -4.713  -2.855
    5    HB   ILE  60           HB       ILE  60  10.789  -3.422  -3.955
    6   1HG1  ILE  60          2HG1      ILE  60   9.916  -5.255  -5.507
    7   2HG1  ILE  60          1HG1      ILE  60  10.105  -3.605  -6.147
    8   1HG2  ILE  60          3HG2      ILE  60  13.152  -2.730  -3.982
    9   2HG2  ILE  60          1HG2      ILE  60  13.463  -3.692  -5.471
   10   3HG2  ILE  60          2HG2      ILE  60  12.349  -2.275  -5.528
   11   1HD1  ILE  60          1HD1      ILE  60  12.183  -4.250  -7.369
   12   2HD1  ILE  60          2HD1      ILE  60  12.019  -5.943  -6.768
   13   3HD1  ILE  60          3HD1      ILE  60  10.764  -5.242  -7.840
   14    HA   PRO  61           HA       PRO  61   8.858  -6.780  -1.428
   15   1HB   PRO  61          2HB       PRO  61   7.667  -4.722   0.048
   16   2HB   PRO  61          1HB       PRO  61   9.036  -5.723   0.694
   17   1HG   PRO  61          2HG       PRO  61   9.156  -2.944  -0.572
   18   2HG   PRO  61          1HG       PRO  61  10.031  -3.558   0.892
   19   1HD   PRO  61          2HD       PRO  61  11.189  -3.412  -1.645
   20   2HD   PRO  61          1HD       PRO  61  11.627  -4.736  -0.468
   21    H    LEU  62           H        LEU  62   6.985  -6.998  -2.677
   22    HA   LEU  62           HA       LEU  62   6.617  -5.316  -4.823
   23   1HB   LEU  62          1HB       LEU  62   5.076  -7.527  -3.429
   24   2HB   LEU  62          2HB       LEU  62   4.272  -6.608  -4.745
   25    HG   LEU  62           HG       LEU  62   5.353  -8.808  -5.298
   26   1HD1  LEU  62          2HD1      LEU  62   4.588  -7.131  -6.999
   27   2HD1  LEU  62          3HD1      LEU  62   6.229  -6.379  -6.993
   28   3HD1  LEU  62          1HD1      LEU  62   6.018  -8.073  -7.576
   29   1HD2  LEU  62          1HD2      LEU  62   7.545  -8.600  -4.155
   30   2HD2  LEU  62          2HD2      LEU  62   7.714  -8.979  -5.909
   31   3HD2  LEU  62          3HD2      LEU  62   8.032  -7.309  -5.323
   32    H    SER  63           H        SER  63   5.295  -3.778  -5.293
   33    HA   SER  63           HA       SER  63   3.593  -2.710  -3.148
   34   1HB   SER  63          2HB       SER  63   4.009  -0.441  -4.269
   35   2HB   SER  63          1HB       SER  63   5.500  -1.157  -3.543
   36    HG   SER  63           HG       SER  63   5.800  -0.403  -5.658
   37    H    CYS  64           H        CYS  64   1.699  -1.409  -4.100
   38    HA   CYS  64           HA       CYS  64   0.652  -2.974  -6.218
   39   1HB   CYS  64          1HB       CYS  64  -1.449  -2.227  -5.539
   40   2HB   CYS  64          2HB       CYS  64  -0.551  -2.337  -4.027
   41    H    THR  65           H        THR  65  -0.935  -1.404  -7.687
   42    HA   THR  65           HA       THR  65   0.986  -0.491  -9.456
   43    HB   THR  65           HB       THR  65  -1.009   0.256 -10.847
   44    HG1  THR  65           HG1      THR  65  -2.308   0.619  -8.979
   45   1HG2  THR  65          3HG2      THR  65  -1.008  -2.613  -9.661
   46   2HG2  THR  65          1HG2      THR  65  -1.784  -2.111 -11.201
   47   3HG2  THR  65          2HG2      THR  65   0.013  -2.037 -11.027
   48    H    ILE  66           H        ILE  66  -1.088   1.376  -7.195
   49    HA   ILE  66           HA       ILE  66  -0.288   3.788  -8.551
   50    HB   ILE  66           HB       ILE  66  -1.405   3.989  -5.882
   51   1HG1  ILE  66          2HG1      ILE  66  -3.733   4.087  -7.226
   52   2HG1  ILE  66          1HG1      ILE  66  -2.975   2.789  -8.217
   53   1HG2  ILE  66          3HG2      ILE  66  -1.608   5.524  -8.539
   54   2HG2  ILE  66          1HG2      ILE  66  -2.459   6.002  -7.021
   55   3HG2  ILE  66          2HG2      ILE  66  -0.660   5.983  -7.077
   56   1HD1  ILE  66          1HD1      ILE  66  -3.012   2.693  -5.142
   57   2HD1  ILE  66          2HD1      ILE  66  -4.395   2.090  -6.121
   58   3HD1  ILE  66          3HD1      ILE  66  -2.775   1.332  -6.307
   59    H    CYS  67           H        CYS  67   0.582   1.805  -5.725
   60    HA   CYS  67           HA       CYS  67   2.057   3.888  -4.518
   61   1HB   CYS  67          1HB       CYS  67   1.866   0.914  -3.966
   62   2HB   CYS  67          2HB       CYS  67   2.931   1.984  -3.016
   63    H    ARG  68           H        ARG  68   2.896   1.690  -7.094
   64    HA   ARG  68           HA       ARG  68   5.678   1.905  -6.442
   65   1HB   ARG  68          2HB       ARG  68   4.552   0.007  -7.812
   66   2HB   ARG  68          1HB       ARG  68   4.600   1.152  -9.194
   67   1HG   ARG  68          2HG       ARG  68   7.078   1.243  -9.057
   68   2HG   ARG  68          1HG       ARG  68   7.043   0.423  -7.457
   69   1HD   ARG  68          2HD       ARG  68   6.143  -1.662  -8.541
   70   2HD   ARG  68          1HD       ARG  68   6.384  -0.884 -10.171
   71    HE   ARG  68           HE       ARG  68   8.822  -0.542  -8.806
   72   1HH1  ARG  68          1HH1      ARG  68   6.730  -3.289  -9.727
   73   2HH1  ARG  68          2HH1      ARG  68   8.033  -4.428  -9.820
   74   1HH2  ARG  68          1HH2      ARG  68  10.568  -2.096  -8.935
   75   2HH2  ARG  68          2HH2      ARG  68  10.240  -3.742  -9.362
   76    H    LYS  69           H        LYS  69   3.206   3.806  -8.114
   77    HA   LYS  69           HA       LYS  69   5.097   5.295  -9.627
   78   1HB   LYS  69          1HB       LYS  69   2.185   5.947  -8.939
   79   2HB   LYS  69          2HB       LYS  69   3.215   6.857 -10.093
   80   1HG   LYS  69          2HG       LYS  69   3.442   4.824 -11.518
   81   2HG   LYS  69          1HG       LYS  69   2.431   3.886 -10.364
   82   1HD   LYS  69          2HD       LYS  69   0.514   5.446 -10.761
   83   2HD   LYS  69          1HD       LYS  69   1.505   6.357 -11.956
   84   1HE   LYS  69          2HE       LYS  69   0.728   3.369 -12.208
   85   2HE   LYS  69          1HE       LYS  69  -0.080   4.743 -13.062
   86   1HZ   LYS  69          2HZ       LYS  69   2.784   3.992 -13.312
   87   2HZ   LYS  69          3HZ       LYS  69   1.550   3.641 -14.425
   88   3HZ   LYS  69          1HZ       LYS  69   1.994   5.252 -14.131
   89    H    ARG  70           H        ARG  70   3.241   5.839  -6.536
   90    HA   ARG  70           HA       ARG  70   4.479   8.415  -6.281
   91   1HB   ARG  70          1HB       ARG  70   3.410   7.637  -3.741
   92   2HB   ARG  70          2HB       ARG  70   2.817   8.891  -4.868
   93   1HG   ARG  70          2HG       ARG  70   1.513   7.062  -6.097
   94   2HG   ARG  70          1HG       ARG  70   2.073   5.916  -4.832
   95   1HD   ARG  70          2HD       ARG  70  -0.233   6.612  -4.366
   96   2HD   ARG  70          1HD       ARG  70   0.849   7.315  -3.090
   97    HE   ARG  70           HE       ARG  70   0.589   9.214  -5.240
   98   1HH1  ARG  70          1HH1      ARG  70  -1.299   7.618  -2.667
   99   2HH1  ARG  70          2HH1      ARG  70  -2.452   8.901  -2.512
  100   1HH2  ARG  70          1HH2      ARG  70  -0.991  10.958  -5.020
  101   2HH2  ARG  70          2HH2      ARG  70  -2.274  10.823  -3.865
  102    H    LYS  71           H        LYS  71   5.052   5.120  -5.185
  103    HA   LYS  71           HA       LYS  71   6.543   4.162  -4.101
  104   1HB   LYS  71          2HB       LYS  71   8.197   5.686  -5.344
  105   2HB   LYS  71          1HB       LYS  71   8.289   6.649  -3.837
  106   1HG   LYS  71          2HG       LYS  71  10.169   5.091  -3.983
  107   2HG   LYS  71          1HG       LYS  71   9.121   4.646  -2.596
  108   1HD   LYS  71          2HD       LYS  71   9.945   2.652  -3.760
  109   2HD   LYS  71          1HD       LYS  71   8.159   2.751  -3.889
  110   1HE   LYS  71          2HE       LYS  71   8.362   3.577  -6.252
  111   2HE   LYS  71          1HE       LYS  71  10.170   3.542  -6.109
  112   1HZ   LYS  71          2HZ       LYS  71   8.345   1.216  -5.795
  113   2HZ   LYS  71          3HZ       LYS  71   9.273   1.586  -7.168
  114   3HZ   LYS  71          1HZ       LYS  71  10.041   1.188  -5.706
  115    H    VAL  72           H        VAL  72   4.420   4.593  -2.816
  116    HA   VAL  72           HA       VAL  72   5.277   5.363  -0.122
  117    HB   VAL  72           HB       VAL  72   2.815   3.882  -0.269
  118   1HG1  VAL  72          2HG1      VAL  72   3.716   5.075   1.731
  119   2HG1  VAL  72          3HG1      VAL  72   3.635   6.644   0.843
  120   3HG1  VAL  72          1HG1      VAL  72   2.121   5.759   1.252
  121   1HG2  VAL  72          3HG2      VAL  72   2.957   6.618  -1.712
  122   2HG2  VAL  72          1HG2      VAL  72   2.512   5.033  -2.468
  123   3HG2  VAL  72          2HG2      VAL  72   1.442   5.773  -1.231
  124    H    LYS  73           H        LYS  73   5.382   3.650   1.505
  125    HA   LYS  73           HA       LYS  73   6.399   1.237   0.318
  126   1HB   LYS  73          2HB       LYS  73   6.324   2.363   3.146
  127   2HB   LYS  73          1HB       LYS  73   6.597   0.605   2.878
  128   1HG   LYS  73          2HG       LYS  73   8.741   1.745   3.134
  129   2HG   LYS  73          1HG       LYS  73   8.568   1.020   1.498
  130   1HD   LYS  73          2HD       LYS  73   8.080   3.274   0.536
  131   2HD   LYS  73          1HD       LYS  73   8.171   4.001   2.184
  132   1HE   LYS  73          2HE       LYS  73  10.284   4.408   0.950
  133   2HE   LYS  73          1HE       LYS  73  10.613   3.250   2.305
  134   1HZ   LYS  73          3HZ       LYS  73  10.420   1.450   0.710
  135   2HZ   LYS  73          1HZ       LYS  73  10.146   2.553  -0.549
  136   3HZ   LYS  73          2HZ       LYS  73  11.635   2.551   0.270
  137    H    CYS  74           H        CYS  74   4.844   0.123  -0.546
  138    HA   CYS  74           HA       CYS  74   2.395  -0.341   0.912
  139   1HB   CYS  74          2HB       CYS  74   2.377   0.546  -1.354
  140   2HB   CYS  74          1HB       CYS  74   3.275  -0.846  -1.976
  141    H    ASP  75           H        ASP  75   1.469  -2.808   0.441
  142    HA   ASP  75           HA       ASP  75   3.555  -4.327   1.800
  143   1HB   ASP  75          2HB       ASP  75   0.749  -3.449   2.733
  144   2HB   ASP  75          1HB       ASP  75   1.653  -4.766   3.575
  145    H    LYS  76           H        LYS  76   0.269  -5.093   2.068
  146    HA   LYS  76           HA       LYS  76  -0.284  -6.728   0.091
  147   1HB   LYS  76          1HB       LYS  76   1.782  -7.894   1.892
  148   2HB   LYS  76          2HB       LYS  76   0.368  -8.960   1.828
  149   1HG   LYS  76          2HG       LYS  76   0.808  -9.692  -0.260
  150   2HG   LYS  76          1HG       LYS  76   1.195  -8.044  -0.874
  151   1HD   LYS  76          2HD       LYS  76   3.416  -8.104   0.134
  152   2HD   LYS  76          1HD       LYS  76   3.089  -9.686   0.917
  153   1HE   LYS  76          2HE       LYS  76   4.523  -9.919  -1.155
  154   2HE   LYS  76          1HE       LYS  76   2.961 -10.820  -1.304
  155   1HZ   LYS  76          1HZ       LYS  76   3.475  -8.099  -2.382
  156   2HZ   LYS  76          2HZ       LYS  76   3.547  -9.546  -3.268
  157   3HZ   LYS  76          3HZ       LYS  76   2.074  -9.038  -2.590
  158    H    LEU  77           H        LEU  77  -1.390  -4.981   2.455
  159    HA   LEU  77           HA       LEU  77  -2.867  -6.559   4.068
  160   1HB   LEU  77          1HB       LEU  77  -2.803  -3.703   3.040
  161   2HB   LEU  77          2HB       LEU  77  -4.306  -4.284   3.860
  162    HG   LEU  77           HG       LEU  77  -2.890  -5.057   5.735
  163   1HD1  LEU  77          1HD1      LEU  77  -0.602  -3.567   4.428
  164   2HD1  LEU  77          2HD1      LEU  77  -0.627  -4.136   6.147
  165   3HD1  LEU  77          3HD1      LEU  77  -0.758  -5.341   4.812
  166   1HD2  LEU  77          1HD2      LEU  77  -4.160  -2.900   5.852
  167   2HD2  LEU  77          2HD2      LEU  77  -2.624  -2.782   6.800
  168   3HD2  LEU  77          3HD2      LEU  77  -2.738  -2.036   5.160
  169    H    ARG  78           H        ARG  78  -4.678  -7.466   3.920
  170    HA   ARG  78           HA       ARG  78  -5.770  -7.718   1.260
  171   1HB   ARG  78          2HB       ARG  78  -6.569  -9.139   3.849
  172   2HB   ARG  78          1HB       ARG  78  -7.305  -9.468   2.239
  173   1HG   ARG  78          2HG       ARG  78  -4.325  -9.855   2.947
  174   2HG   ARG  78          1HG       ARG  78  -5.571 -11.148   2.868
  175   1HD   ARG  78          2HD       ARG  78  -5.922 -10.685   0.423
  176   2HD   ARG  78          1HD       ARG  78  -4.633  -9.402   0.486
  177    HE   ARG  78           HE       ARG  78  -3.561 -11.836   1.571
  178   1HH1  ARG  78          1HH1      ARG  78  -4.744 -10.403  -1.474
  179   2HH1  ARG  78          2HH1      ARG  78  -3.729 -11.368  -2.494
  180   1HH2  ARG  78          1HH2      ARG  78  -2.186 -13.145   0.176
  181   2HH2  ARG  78          2HH2      ARG  78  -2.256 -12.948  -1.543
  182    HA   PRO  79           HA       PRO  79  -7.663  -7.986   0.102
  183   1HB   PRO  79          2HB       PRO  79  -9.625  -5.927  -0.891
  184   2HB   PRO  79          1HB       PRO  79  -9.764  -7.725  -0.978
  185   1HG   PRO  79          2HG       PRO  79 -11.318  -6.248   0.767
  186   2HG   PRO  79          1HG       PRO  79 -10.648  -7.871   1.227
  187   1HD   PRO  79          2HD       PRO  79  -9.516  -5.105   1.939
  188   2HD   PRO  79          1HD       PRO  79  -9.736  -6.571   3.006
  189    H    HIS  80           H        HIS  80  -8.221  -4.394   0.321
  190    HA   HIS  80           HA       HIS  80  -6.033  -3.983  -1.575
  191   1HB   HIS  80          2HB       HIS  80  -7.025  -1.604  -1.657
  192   2HB   HIS  80          1HB       HIS  80  -8.060  -2.904  -2.338
  193    HD1  HIS  80           HD1      HIS  80  -7.981  -0.399   0.460
  194    HD2  HIS  80           HD2      HIS  80 -10.337  -3.652  -0.748
  195    HE1  HIS  80           HE1      HIS  80 -10.173  -0.326   1.769
  196    H    CYS  81           H        CYS  81  -4.656  -2.002  -1.024
  197    HA   CYS  81           HA       CYS  81  -3.641  -2.725   1.496
  198   1HB   CYS  81          2HB       CYS  81  -1.647  -1.557   0.955
  199   2HB   CYS  81          1HB       CYS  81  -2.224  -2.211  -0.608
  200    H    GLN  82           H        GLN  82  -2.518  -0.940   2.830
  201    HA   GLN  82           HA       GLN  82  -4.450   0.449   4.160
  202   1HB   GLN  82          1HB       GLN  82  -2.326   1.816   5.081
  203   2HB   GLN  82          2HB       GLN  82  -2.774   0.164   5.595
  204   1HG   GLN  82          2HG       GLN  82  -0.410   0.166   5.266
  205   2HG   GLN  82          1HG       GLN  82  -1.114  -0.818   3.941
  206   1HE2  GLN  82          2HE2      GLN  82   0.452   1.068   1.431
  207   2HE2  GLN  82          1HE2      GLN  82  -0.274  -0.413   1.961
  208    H    GLN  83           H        GLN  83  -2.554   1.741   1.413
  209    HA   GLN  83           HA       GLN  83  -3.180   4.432   1.999
  210   1HB   GLN  83          1HB       GLN  83  -2.350   3.042  -0.610
  211   2HB   GLN  83          2HB       GLN  83  -2.566   4.801  -0.410
  212   1HG   GLN  83          2HG       GLN  83  -0.510   3.097   1.139
  213   2HG   GLN  83          1HG       GLN  83  -0.159   4.104  -0.315
  214   1HE2  GLN  83          2HE2      GLN  83  -0.521   7.285   1.278
  215   2HE2  GLN  83          1HE2      GLN  83  -0.770   6.447  -0.217
  216    H    CYS  84           H        CYS  84  -4.405   2.146  -0.635
  217    HA   CYS  84           HA       CYS  84  -6.419   3.604  -1.457
  218   1HB   CYS  84          2HB       CYS  84  -5.883   0.580  -1.387
  219   2HB   CYS  84          1HB       CYS  84  -6.838   1.384  -2.623
  220    H    THR  85           H        THR  85  -6.396   1.808   1.573
  221    HA   THR  85           HA       THR  85  -9.216   1.454   1.564
  222    HB   THR  85           HB       THR  85  -7.277   1.692   3.947
  223    HG1  THR  85           HG1      THR  85  -6.780   0.004   2.576
  224   1HG2  THR  85          3HG2      THR  85 -10.157   0.563   3.716
  225   2HG2  THR  85          1HG2      THR  85  -9.067   0.311   5.127
  226   3HG2  THR  85          2HG2      THR  85  -9.638   1.962   4.737
  227    H    LYS  86           H        LYS  86  -6.847   3.831   2.818
  228    HA   LYS  86           HA       LYS  86  -8.799   5.351   4.146
  229   1HB   LYS  86          1HB       LYS  86  -6.368   5.038   4.782
  230   2HB   LYS  86          2HB       LYS  86  -6.077   6.254   3.492
  231   1HG   LYS  86          2HG       LYS  86  -7.481   7.914   4.730
  232   2HG   LYS  86          1HG       LYS  86  -7.909   6.650   5.935
  233   1HD   LYS  86          2HD       LYS  86  -5.483   6.448   6.558
  234   2HD   LYS  86          1HD       LYS  86  -5.093   7.798   5.431
  235   1HE   LYS  86          2HE       LYS  86  -7.011   7.989   7.859
  236   2HE   LYS  86          1HE       LYS  86  -5.295   8.571   7.829
  237   1HZ   LYS  86          3HZ       LYS  86  -7.493   9.515   6.063
  238   2HZ   LYS  86          1HZ       LYS  86  -6.872  10.325   7.420
  239   3HZ   LYS  86          2HZ       LYS  86  -5.889  10.072   6.058
  240    H    THR  87           H        THR  87  -7.263   5.451   0.922
  241    HA   THR  87           HA       THR  87  -8.108   8.143   0.451
  242    HB   THR  87           HB       THR  87  -6.799   5.966  -1.251
  243    HG1  THR  87           HG1      THR  87  -5.591   6.911   0.416
  244   1HG2  THR  87          2HG2      THR  87  -7.480   8.916  -1.917
  245   2HG2  THR  87          3HG2      THR  87  -6.332   7.882  -2.858
  246   3HG2  THR  87          1HG2      THR  87  -8.059   7.429  -2.766
  247    H    GLY  88           H        GLY  88  -8.901   4.737  -0.473
  248   1HA   GLY  88          1HA       GLY  88 -11.001   3.978  -0.785
  249   2HA   GLY  88          2HA       GLY  88 -11.584   5.664  -1.124
  250    H    VAL  89           H        VAL  89  -8.556   4.434  -2.421
  251    HA   VAL  89           HA       VAL  89  -9.876   4.043  -4.994
  252    HB   VAL  89           HB       VAL  89  -7.769   4.260  -6.144
  253   1HG1  VAL  89          1HG2      VAL  89  -8.632   6.654  -4.435
  254   2HG1  VAL  89          2HG2      VAL  89  -7.535   6.739  -5.865
  255   3HG1  VAL  89          3HG2      VAL  89  -9.233   6.161  -6.044
  256   1HG2  VAL  89          2HG1      VAL  89  -6.590   4.462  -3.316
  257   2HG2  VAL  89          3HG1      VAL  89  -6.085   3.605  -4.838
  258   3HG2  VAL  89          1HG1      VAL  89  -5.833   5.378  -4.692
  259    H    ALA  90           H        ALA  90 -10.280   2.067  -3.163
  260    HA   ALA  90           HA       ALA  90  -8.299   0.104  -3.190
  261   1HB   ALA  90          2HB       ALA  90 -11.357  -0.259  -3.178
  262   2HB   ALA  90          1HB       ALA  90 -10.139  -1.530  -2.785
  263   3HB   ALA  90          3HB       ALA  90 -10.315  -0.083  -1.706
  264    H    HIS  91           H        HIS  91 -10.624   1.286  -5.520
  265    HA   HIS  91           HA       HIS  91 -10.886  -0.878  -7.249
  266   1HB   HIS  91          1HB       HIS  91 -12.034   0.641  -8.632
  267   2HB   HIS  91          2HB       HIS  91 -12.206   1.341  -6.960
  268    HD1  HIS  91           HD1      HIS  91 -10.510   3.407  -6.370
  269    HD2  HIS  91           HD2      HIS  91 -11.784   2.620 -10.260
  270    HE1  HIS  91           HE1      HIS  91 -10.423   5.607  -7.667
  271    H    LEU  92           H        LEU  92  -8.560   1.786  -6.877
  272    HA   LEU  92           HA       LEU  92  -7.268   0.863  -9.341
  273   1HB   LEU  92          2HB       LEU  92  -6.268   3.039  -7.407
  274   2HB   LEU  92          1HB       LEU  92  -5.571   2.652  -9.017
  275    HG   LEU  92           HG       LEU  92  -8.265   3.943  -8.391
  276   1HD1  LEU  92          2HD1      LEU  92  -6.286   5.450  -8.465
  277   2HD1  LEU  92          3HD1      LEU  92  -5.883   4.855 -10.121
  278   3HD1  LEU  92          1HD1      LEU  92  -7.412   5.771  -9.838
  279   1HD2  LEU  92          3HD2      LEU  92  -7.298   2.747 -11.056
  280   2HD2  LEU  92          1HD2      LEU  92  -8.729   2.250 -10.081
  281   3HD2  LEU  92          2HD2      LEU  92  -8.712   3.869 -10.888
  282    H    CYS  93           H        CYS  93  -7.448  -0.279  -6.490
  283    HA   CYS  93           HA       CYS  93  -4.541  -0.607  -6.110
  284   1HB   CYS  93          2HB       CYS  93  -5.784   0.151  -4.199
  285   2HB   CYS  93          1HB       CYS  93  -6.781  -1.288  -4.140
  286    H    HIS  94           H        HIS  94  -3.779  -2.134  -7.459
  287    HA   HIS  94           HA       HIS  94  -4.665  -4.810  -6.674
  288   1HB   HIS  94          2HB       HIS  94  -3.910  -4.027  -9.557
  289   2HB   HIS  94          1HB       HIS  94  -4.278  -5.685  -8.955
  290    HD1  HIS  94           HD1      HIS  94  -5.998  -2.362  -9.769
  291    HD2  HIS  94           HD2      HIS  94  -7.050  -6.276  -8.687
  292    HE1  HIS  94           HE1      HIS  94  -8.527  -2.610 -10.043
  293    H    TYR  95           H        TYR  95  -2.878  -6.168  -6.330
  294    HA   TYR  95           HA       TYR  95  -0.375  -4.734  -6.278
  295   1HB   TYR  95          1HB       TYR  95  -0.963  -7.635  -5.457
  296   2HB   TYR  95          2HB       TYR  95   0.614  -6.769  -5.230
  297    HD1  TYR  95           HD1      TYR  95   0.776  -4.880  -3.546
  298    HD2  TYR  95           HD2      TYR  95  -2.820  -7.157  -4.138
  299    HE1  TYR  95           HE1      TYR  95  -0.116  -4.038  -1.474
  300    HE2  TYR  95           HE2      TYR  95  -3.682  -6.299  -2.004
  301    HH   TYR  95           HH       TYR  95  -1.740  -4.055  -0.030
  302    H    MET  96           H        MET  96   1.557  -5.484  -7.361
  303    HA   MET  96           HA       MET  96   0.992  -6.403  -9.973
  304   1HB   MET  96          1HB       MET  96   3.579  -5.942  -8.636
  305   2HB   MET  96          2HB       MET  96   3.375  -6.263 -10.390
  306   1HG   MET  96          2HG       MET  96   1.877  -4.198 -10.497
  307   2HG   MET  96          1HG       MET  96   2.298  -3.845  -8.792
  308   1HE   MET  96          1HE       MET  96   2.429  -1.795 -10.877
  309   2HE   MET  96          2HE       MET  96   3.061  -1.514  -9.219
  310   3HE   MET  96          3HE       MET  96   4.023  -1.001 -10.644
  311    H    GLU  97           H        GLU  97   1.321  -8.398 -10.861
  312    HA   GLU  97           HA       GLU  97   1.404 -10.516  -8.991
  313   1HB   GLU  97          2HB       GLU  97  -0.034 -10.423 -11.140
  314   2HB   GLU  97          1HB       GLU  97   1.478 -10.696 -12.061
  315   1HG   GLU  97          2HG       GLU  97   0.226 -12.807 -11.800
  316   2HG   GLU  97          1HG       GLU  97   1.765 -12.922 -10.872
  317    H    GLN  98           H        GLN  98   3.409  -9.312 -11.689
  318    HA   GLN  98           HA       GLN  98   5.486  -9.407 -12.190
  319   1HB   GLN  98          1HB       GLN  98   5.721  -8.563  -9.803
  320   2HB   GLN  98          2HB       GLN  98   6.175 -10.233  -9.326
  321   1HG   GLN  98          2HG       GLN  98   8.173 -10.085 -10.896
  322   2HG   GLN  98          1HG       GLN  98   7.645  -8.417 -11.363
  323   1HE2  GLN  98          2HE2      GLN  98   9.269  -9.253  -7.600
  324   2HE2  GLN  98          1HE2      GLN  98   8.725 -10.522  -8.645
  325    H    THR  99           H        THR  99   4.277 -11.363 -13.247
  326    HA   THR  99           HA       THR  99   6.092 -13.643 -12.942
  327    HB   THR  99           HB       THR  99   4.207 -15.042 -13.940
  328    HG1  THR  99           HG1      THR  99   2.973 -13.297 -14.634
  329   1HG2  THR  99          3HG2      THR  99   3.699 -13.814 -11.141
  330   2HG2  THR  99          1HG2      THR  99   3.013 -15.359 -11.765
  331   3HG2  THR  99          2HG2      THR  99   4.792 -15.198 -11.511
  332    H    TRP 100           H        TRP 100   5.060 -10.909 -14.486
  333    HA   TRP 100           HA       TRP 100   4.997 -11.927 -17.144
  334   1HB   TRP 100          2HB       TRP 100   5.329  -9.015 -16.246
  335   2HB   TRP 100          1HB       TRP 100   4.688  -9.606 -17.823
  336    HD1  TRP 100           HD1      TRP 100   2.244 -11.291 -17.298
  337    HE1  TRP 100           HE1      TRP 100   0.275 -10.592 -15.810
  338    HE3  TRP 100           HE3      TRP 100   4.604  -7.752 -14.525
  339    HZ2  TRP 100           HZ2      TRP 100  -0.199  -8.749 -13.715
  340    HZ3  TRP 100           HZ3      TRP 100   3.339  -6.548 -12.807
  341    HH2  TRP 100           HH2      TRP 100   0.976  -7.031 -12.412
   
  No H/Q in entry =         341
  Start of MODEL   10
    1   1H    ILE  60          3H        ILE  60  11.255  -7.225  -5.824
    2   2H    ILE  60          1H        ILE  60  12.671  -6.307  -6.005
    3   3H    ILE  60          2H        ILE  60  12.514  -7.382  -4.689
    4    HA   ILE  60           HA       ILE  60  12.230  -5.229  -3.925
    5    HB   ILE  60           HB       ILE  60  10.479  -3.742  -4.888
    6   1HG1  ILE  60          2HG1      ILE  60  10.239  -5.890  -7.092
    7   2HG1  ILE  60          1HG1      ILE  60   8.960  -5.467  -5.903
    8   1HG2  ILE  60          3HG2      ILE  60  12.925  -3.686  -5.476
    9   2HG2  ILE  60          1HG2      ILE  60  12.588  -4.719  -6.917
   10   3HG2  ILE  60          2HG2      ILE  60  11.872  -3.074  -6.797
   11   1HD1  ILE  60          3HD1      ILE  60   8.885  -3.125  -6.810
   12   2HD1  ILE  60          1HD1      ILE  60  10.093  -3.589  -8.068
   13   3HD1  ILE  60          2HD1      ILE  60   8.479  -4.378  -8.041
   14    HA   PRO  61           HA       PRO  61   8.601  -6.874  -1.757
   15   1HB   PRO  61          2HB       PRO  61   7.641  -4.604  -0.425
   16   2HB   PRO  61          1HB       PRO  61   9.069  -5.554   0.158
   17   1HG   PRO  61          2HG       PRO  61   9.057  -2.973  -1.481
   18   2HG   PRO  61          1HG       PRO  61  10.106  -3.406  -0.067
   19   1HD   PRO  61          2HD       PRO  61  10.947  -3.645  -2.710
   20   2HD   PRO  61          1HD       PRO  61  11.484  -4.834  -1.436
   21    H    LEU  62           H        LEU  62   6.597  -7.227  -2.737
   22    HA   LEU  62           HA       LEU  62   6.003  -5.824  -5.030
   23   1HB   LEU  62          2HB       LEU  62   4.524  -7.819  -3.258
   24   2HB   LEU  62          1HB       LEU  62   3.707  -7.074  -4.666
   25    HG   LEU  62           HG       LEU  62   4.729  -9.352  -4.928
   26   1HD1  LEU  62          3HD1      LEU  62   3.980  -7.846  -6.814
   27   2HD1  LEU  62          1HD1      LEU  62   5.669  -7.247  -6.980
   28   3HD1  LEU  62          2HD1      LEU  62   5.293  -8.984  -7.308
   29   1HD2  LEU  62          3HD2      LEU  62   6.967  -9.025  -3.898
   30   2HD2  LEU  62          1HD2      LEU  62   7.080  -9.642  -5.592
   31   3HD2  LEU  62          2HD2      LEU  62   7.409  -7.901  -5.248
   32    H    SER  63           H        SER  63   4.661  -4.351  -5.529
   33    HA   SER  63           HA       SER  63   3.155  -3.072  -3.348
   34   1HB   SER  63          1HB       SER  63   4.801  -1.677  -5.569
   35   2HB   SER  63          2HB       SER  63   3.760  -0.817  -4.370
   36    HG   SER  63           HG       SER  63   5.944  -0.838  -3.798
   37    H    CYS  64           H        CYS  64   1.533  -1.487  -4.229
   38    HA   CYS  64           HA       CYS  64   0.304  -2.794  -6.506
   39   1HB   CYS  64          2HB       CYS  64  -1.737  -1.688  -6.110
   40   2HB   CYS  64          1HB       CYS  64  -1.169  -2.347  -4.554
   41    H    THR  65           H        THR  65  -0.942  -1.033  -7.945
   42    HA   THR  65           HA       THR  65   1.283  -0.225  -9.413
   43    HB   THR  65           HB       THR  65  -0.271   0.313 -11.191
   44    HG1  THR  65           HG1      THR  65  -2.200   0.051  -9.126
   45   1HG2  THR  65          3HG2      THR  65   0.181  -2.158 -10.492
   46   2HG2  THR  65          1HG2      THR  65  -1.385  -2.107  -9.598
   47   3HG2  THR  65          2HG2      THR  65  -1.367  -1.880 -11.378
   48    H    ILE  66           H        ILE  66  -0.771   1.500  -7.180
   49    HA   ILE  66           HA       ILE  66  -0.098   4.061  -8.339
   50    HB   ILE  66           HB       ILE  66  -1.265   3.900  -5.685
   51   1HG1  ILE  66          2HG1      ILE  66  -2.852   3.208  -8.239
   52   2HG1  ILE  66          1HG1      ILE  66  -2.548   2.121  -6.832
   53   1HG2  ILE  66          3HG2      ILE  66  -0.626   6.051  -6.825
   54   2HG2  ILE  66          1HG2      ILE  66  -1.734   5.651  -8.185
   55   3HG2  ILE  66          2HG2      ILE  66  -2.393   5.976  -6.537
   56   1HD1  ILE  66          2HD1      ILE  66  -3.755   3.831  -5.355
   57   2HD1  ILE  66          3HD1      ILE  66  -4.320   4.623  -6.876
   58   3HD1  ILE  66          1HD1      ILE  66  -4.762   2.907  -6.520
   59    H    CYS  67           H        CYS  67   0.756   1.846  -5.640
   60    HA   CYS  67           HA       CYS  67   2.132   3.785  -4.190
   61   1HB   CYS  67          2HB       CYS  67   2.046   0.852  -4.092
   62   2HB   CYS  67          1HB       CYS  67   3.119   1.787  -3.011
   63    H    ARG  68           H        ARG  68   3.009   1.713  -6.912
   64    HA   ARG  68           HA       ARG  68   5.794   2.066  -6.452
   65   1HB   ARG  68          2HB       ARG  68   4.661   0.148  -7.764
   66   2HB   ARG  68          1HB       ARG  68   4.459   1.323  -9.107
   67   1HG   ARG  68          2HG       ARG  68   6.957   1.579  -9.233
   68   2HG   ARG  68          1HG       ARG  68   7.136   0.535  -7.778
   69   1HD   ARG  68          2HD       ARG  68   6.153  -1.404  -9.059
   70   2HD   ARG  68          1HD       ARG  68   6.048  -0.343 -10.536
   71    HE   ARG  68           HE       ARG  68   8.719  -0.236  -9.410
   72   1HH1  ARG  68          1HH1      ARG  68   6.481  -2.376 -11.183
   73   2HH1  ARG  68          2HH1      ARG  68   7.736  -3.263 -11.984
   74   1HH2  ARG  68          1HH2      ARG  68  10.413  -1.449 -10.500
   75   2HH2  ARG  68          2HH2      ARG  68   9.999  -2.729 -11.590
   76    H    LYS  69           H        LYS  69   3.216   3.987  -7.956
   77    HA   LYS  69           HA       LYS  69   4.987   5.499  -9.587
   78   1HB   LYS  69          1HB       LYS  69   2.138   6.090  -8.645
   79   2HB   LYS  69          2HB       LYS  69   3.091   7.141  -9.747
   80   1HG   LYS  69          2HG       LYS  69   3.236   5.360 -11.428
   81   2HG   LYS  69          1HG       LYS  69   2.410   4.202 -10.336
   82   1HD   LYS  69          2HD       LYS  69   0.369   5.672 -10.319
   83   2HD   LYS  69          1HD       LYS  69   1.178   6.789 -11.475
   84   1HE   LYS  69          2HE       LYS  69   0.541   3.809 -12.029
   85   2HE   LYS  69          1HE       LYS  69  -0.411   5.228 -12.638
   86   1HZ   LYS  69          3HZ       LYS  69   1.561   5.992 -13.772
   87   2HZ   LYS  69          1HZ       LYS  69   2.451   4.661 -13.208
   88   3HZ   LYS  69          2HZ       LYS  69   1.141   4.421 -14.262
   89    H    ARG  70           H        ARG  70   3.331   6.057  -6.354
   90    HA   ARG  70           HA       ARG  70   4.534   8.608  -6.185
   91   1HB   ARG  70          2HB       ARG  70   3.581   7.033  -3.766
   92   2HB   ARG  70          1HB       ARG  70   3.555   8.808  -4.016
   93   1HG   ARG  70          2HG       ARG  70   1.748   6.689  -5.330
   94   2HG   ARG  70          1HG       ARG  70   1.297   7.808  -4.036
   95   1HD   ARG  70          2HD       ARG  70   1.577   9.763  -5.601
   96   2HD   ARG  70          1HD       ARG  70   1.990   8.613  -6.948
   97    HE   ARG  70           HE       ARG  70  -0.493   7.842  -5.677
   98   1HH1  ARG  70          1HH1      ARG  70   0.975  10.340  -7.758
   99   2HH1  ARG  70          2HH1      ARG  70  -0.502  10.739  -8.570
  100   1HH2  ARG  70          1HH2      ARG  70  -2.493   8.391  -6.785
  101   2HH2  ARG  70          2HH2      ARG  70  -2.502   9.616  -8.009
  102    H    LYS  71           H        LYS  71   5.300   5.313  -5.197
  103    HA   LYS  71           HA       LYS  71   6.834   4.340  -4.144
  104   1HB   LYS  71          2HB       LYS  71   8.531   5.703  -5.456
  105   2HB   LYS  71          1HB       LYS  71   8.682   6.746  -4.000
  106   1HG   LYS  71          2HG       LYS  71   8.787   3.948  -3.147
  107   2HG   LYS  71          1HG       LYS  71   9.829   4.119  -4.576
  108   1HD   LYS  71          2HD       LYS  71  11.034   6.036  -3.419
  109   2HD   LYS  71          1HD       LYS  71   9.919   5.834  -2.014
  110   1HE   LYS  71          2HE       LYS  71  10.801   3.509  -1.640
  111   2HE   LYS  71          1HE       LYS  71  11.932   3.716  -3.042
  112   1HZ   LYS  71          1HZ       LYS  71  12.921   5.580  -1.891
  113   2HZ   LYS  71          2HZ       LYS  71  11.867   5.375  -0.575
  114   3HZ   LYS  71          3HZ       LYS  71  12.997   4.164  -0.954
  115    H    VAL  72           H        VAL  72   5.187   4.261  -2.608
  116    HA   VAL  72           HA       VAL  72   6.070   5.337  -0.079
  117    HB   VAL  72           HB       VAL  72   3.607   4.911   0.554
  118   1HG1  VAL  72          1HG1      VAL  72   4.687   7.174   0.557
  119   2HG1  VAL  72          2HG1      VAL  72   4.292   7.369  -1.194
  120   3HG1  VAL  72          3HG1      VAL  72   2.967   7.278   0.025
  121   1HG2  VAL  72          2HG2      VAL  72   2.868   3.810  -1.549
  122   2HG2  VAL  72          3HG2      VAL  72   1.902   5.277  -1.199
  123   3HG2  VAL  72          1HG2      VAL  72   3.165   5.331  -2.473
  124    H    LYS  73           H        LYS  73   5.375   3.591   1.583
  125    HA   LYS  73           HA       LYS  73   5.972   1.072   0.319
  126   1HB   LYS  73          2HB       LYS  73   5.559   1.851   3.242
  127   2HB   LYS  73          1HB       LYS  73   5.810   0.151   2.707
  128   1HG   LYS  73          2HG       LYS  73   7.751   2.431   2.057
  129   2HG   LYS  73          1HG       LYS  73   7.900   1.396   3.528
  130   1HD   LYS  73          2HD       LYS  73   8.128  -0.631   2.116
  131   2HD   LYS  73          1HD       LYS  73   7.973   0.355   0.621
  132   1HE   LYS  73          2HE       LYS  73  10.232   0.684   2.704
  133   2HE   LYS  73          1HE       LYS  73  10.363  -0.199   1.124
  134   1HZ   LYS  73          2HZ       LYS  73   9.807   1.846  -0.001
  135   2HZ   LYS  73          3HZ       LYS  73   9.695   2.677   1.476
  136   3HZ   LYS  73          1HZ       LYS  73  11.186   2.035   0.972
  137    H    CYS  74           H        CYS  74   4.603  -0.223  -0.433
  138    HA   CYS  74           HA       CYS  74   1.829  -0.082   0.218
  139   1HB   CYS  74          1HB       CYS  74   2.943  -0.705  -2.052
  140   2HB   CYS  74          2HB       CYS  74   3.286  -2.294  -1.298
  141    H    ASP  75           H        ASP  75   0.808  -2.503   0.704
  142    HA   ASP  75           HA       ASP  75   2.107  -2.821   3.345
  143   1HB   ASP  75          2HB       ASP  75  -0.871  -2.565   2.672
  144   2HB   ASP  75          1HB       ASP  75  -0.213  -2.908   4.313
  145    H    LYS  76           H        LYS  76   0.199  -4.193   0.752
  146    HA   LYS  76           HA       LYS  76  -0.338  -6.192   0.117
  147   1HB   LYS  76          2HB       LYS  76   1.659  -7.326   2.136
  148   2HB   LYS  76          1HB       LYS  76   0.900  -8.227   0.786
  149   1HG   LYS  76          2HG       LYS  76   2.243  -7.167  -0.846
  150   2HG   LYS  76          1HG       LYS  76   2.579  -5.730   0.182
  151   1HD   LYS  76          2HD       LYS  76   3.912  -7.016   1.735
  152   2HD   LYS  76          1HD       LYS  76   3.571  -8.552   0.851
  153   1HE   LYS  76          2HE       LYS  76   4.780  -7.637  -1.169
  154   2HE   LYS  76          1HE       LYS  76   5.185  -6.139  -0.229
  155   1HZ   LYS  76          3HZ       LYS  76   5.958  -8.924   0.466
  156   2HZ   LYS  76          1HZ       LYS  76   6.961  -7.733  -0.211
  157   3HZ   LYS  76          2HZ       LYS  76   6.339  -7.528   1.357
  158    H    LEU  77           H        LEU  77  -2.125  -5.037   1.778
  159    HA   LEU  77           HA       LEU  77  -2.746  -6.992   3.841
  160   1HB   LEU  77          1HB       LEU  77  -4.465  -4.648   2.867
  161   2HB   LEU  77          2HB       LEU  77  -4.738  -5.654   4.329
  162    HG   LEU  77           HG       LEU  77  -2.748  -3.416   3.871
  163   1HD1  LEU  77          1HD2      LEU  77  -4.921  -4.131   5.946
  164   2HD1  LEU  77          2HD2      LEU  77  -3.829  -2.717   6.099
  165   3HD1  LEU  77          3HD2      LEU  77  -4.974  -2.824   4.701
  166   1HD2  LEU  77          3HD1      LEU  77  -2.576  -5.461   6.172
  167   2HD2  LEU  77          1HD1      LEU  77  -1.343  -5.201   4.870
  168   3HD2  LEU  77          2HD1      LEU  77  -1.688  -3.891   6.038
  169    H    ARG  78           H        ARG  78  -5.029  -7.932   3.783
  170    HA   ARG  78           HA       ARG  78  -5.826  -8.337   0.998
  171   1HB   ARG  78          2HB       ARG  78  -6.406 -10.036   3.468
  172   2HB   ARG  78          1HB       ARG  78  -7.131 -10.311   1.843
  173   1HG   ARG  78          2HG       ARG  78  -4.107 -10.364   2.457
  174   2HG   ARG  78          1HG       ARG  78  -5.158 -11.816   2.360
  175   1HD   ARG  78          2HD       ARG  78  -5.597 -11.465  -0.017
  176   2HD   ARG  78          1HD       ARG  78  -4.771  -9.863  -0.021
  177    HE   ARG  78           HE       ARG  78  -3.469 -12.553   0.215
  178   1HH1  ARG  78          1HH1      ARG  78  -3.140  -8.987   0.106
  179   2HH1  ARG  78          2HH1      ARG  78  -1.449  -9.028  -0.270
  180   1HH2  ARG  78          1HH2      ARG  78  -1.197 -12.569  -0.289
  181   2HH2  ARG  78          2HH2      ARG  78  -0.335 -11.081  -0.496
  182    HA   PRO  79           HA       PRO  79  -7.555  -8.243  -0.243
  183   1HB   PRO  79          2HB       PRO  79  -9.438  -6.605  -1.446
  184   2HB   PRO  79          1HB       PRO  79  -9.873  -8.154  -0.612
  185   1HG   PRO  79          2HG       PRO  79 -10.051  -5.307   0.479
  186   2HG   PRO  79          1HG       PRO  79 -11.269  -6.647   0.617
  187   1HD   PRO  79          2HD       PRO  79  -9.418  -6.017   2.637
  188   2HD   PRO  79          1HD       PRO  79  -9.995  -7.724   2.350
  189    H    HIS  80           H        HIS  80  -8.008  -4.786   0.872
  190    HA   HIS  80           HA       HIS  80  -6.134  -4.011  -1.245
  191   1HB   HIS  80          1HB       HIS  80  -8.505  -2.535  -0.038
  192   2HB   HIS  80          2HB       HIS  80  -7.440  -1.851  -1.313
  193    HD1  HIS  80           HD1      HIS  80 -10.769  -3.153  -1.052
  194    HD2  HIS  80           HD2      HIS  80  -7.391  -4.226  -3.149
  195    HE1  HIS  80           HE1      HIS  80 -11.584  -4.512  -3.062
  196    H    CYS  81           H        CYS  81  -4.763  -2.169  -0.819
  197    HA   CYS  81           HA       CYS  81  -3.675  -2.570   1.758
  198   1HB   CYS  81          2HB       CYS  81  -1.686  -1.643   0.985
  199   2HB   CYS  81          1HB       CYS  81  -2.359  -2.374  -0.496
  200    H    GLN  82           H        GLN  82  -2.648  -0.649   2.913
  201    HA   GLN  82           HA       GLN  82  -4.785   0.797   3.906
  202   1HB   GLN  82          2HB       GLN  82  -1.804   1.255   4.405
  203   2HB   GLN  82          1HB       GLN  82  -3.139   1.911   5.415
  204   1HG   GLN  82          2HG       GLN  82  -3.875  -0.355   6.040
  205   2HG   GLN  82          1HG       GLN  82  -2.687  -1.099   4.903
  206   1HE2  GLN  82          2HE2      GLN  82  -0.668  -1.618   7.687
  207   2HE2  GLN  82          1HE2      GLN  82  -1.789  -2.295   6.541
  208    H    GLN  83           H        GLN  83  -2.621   1.808   1.291
  209    HA   GLN  83           HA       GLN  83  -3.003   4.587   1.717
  210   1HB   GLN  83          1HB       GLN  83  -2.131   2.939  -0.701
  211   2HB   GLN  83          2HB       GLN  83  -2.540   4.682  -0.773
  212   1HG   GLN  83          2HG       GLN  83  -0.134   4.495  -0.602
  213   2HG   GLN  83          1HG       GLN  83  -0.779   5.214   0.920
  214   1HE2  GLN  83          2HE2      GLN  83   1.070   2.946   2.822
  215   2HE2  GLN  83          1HE2      GLN  83   0.476   4.551   2.560
  216    H    CYS  84           H        CYS  84  -4.334   2.264  -0.815
  217    HA   CYS  84           HA       CYS  84  -6.239   3.882  -1.647
  218   1HB   CYS  84          2HB       CYS  84  -5.984   0.824  -1.633
  219   2HB   CYS  84          1HB       CYS  84  -6.902   1.788  -2.826
  220    H    THR  85           H        THR  85  -6.436   1.941   1.302
  221    HA   THR  85           HA       THR  85  -9.305   1.772   1.077
  222    HB   THR  85           HB       THR  85  -7.489   1.219   3.463
  223    HG1  THR  85           HG1      THR  85  -7.207  -0.112   1.642
  224   1HG2  THR  85          1HG2      THR  85 -10.483   0.629   2.884
  225   2HG2  THR  85          2HG2      THR  85  -9.532  -0.133   4.215
  226   3HG2  THR  85          3HG2      THR  85  -9.836   1.633   4.241
  227    H    LYS  86           H        LYS  86  -6.774   3.829   2.495
  228    HA   LYS  86           HA       LYS  86  -8.547   5.334   4.084
  229   1HB   LYS  86          1HB       LYS  86  -6.165   4.993   4.633
  230   2HB   LYS  86          2HB       LYS  86  -5.813   5.992   3.191
  231   1HG   LYS  86          2HG       LYS  86  -5.543   7.307   5.239
  232   2HG   LYS  86          1HG       LYS  86  -6.904   7.979   4.293
  233   1HD   LYS  86          2HD       LYS  86  -8.528   6.803   5.808
  234   2HD   LYS  86          1HD       LYS  86  -7.150   6.082   6.715
  235   1HE   LYS  86          2HE       LYS  86  -6.386   8.380   7.390
  236   2HE   LYS  86          1HE       LYS  86  -7.775   9.103   6.473
  237   1HZ   LYS  86          1HZ       LYS  86  -7.975   7.198   8.749
  238   2HZ   LYS  86          2HZ       LYS  86  -8.246   8.874   8.805
  239   3HZ   LYS  86          3HZ       LYS  86  -9.274   7.879   7.892
  240    H    THR  87           H        THR  87  -7.232   5.558   0.760
  241    HA   THR  87           HA       THR  87  -8.075   8.260   0.454
  242    HB   THR  87           HB       THR  87  -7.098   6.150  -1.534
  243    HG1  THR  87           HG1      THR  87  -5.227   7.379  -1.390
  244   1HG2  THR  87          2HG2      THR  87  -7.590   9.199  -1.836
  245   2HG2  THR  87          3HG2      THR  87  -6.678   8.173  -3.011
  246   3HG2  THR  87          1HG2      THR  87  -8.422   7.870  -2.745
  247    H    GLY  88           H        GLY  88  -9.004   5.031  -0.876
  248   1HA   GLY  88          1HA       GLY  88 -11.279   4.433  -0.907
  249   2HA   GLY  88          2HA       GLY  88 -11.678   6.139  -1.371
  250    H    VAL  89           H        VAL  89  -8.728   4.798  -2.631
  251    HA   VAL  89           HA       VAL  89 -10.046   4.332  -5.180
  252    HB   VAL  89           HB       VAL  89  -7.941   4.431  -6.306
  253   1HG1  VAL  89          2HG2      VAL  89  -9.245   6.497  -5.992
  254   2HG1  VAL  89          3HG2      VAL  89  -8.389   6.834  -4.446
  255   3HG1  VAL  89          1HG2      VAL  89  -7.473   6.838  -5.993
  256   1HG2  VAL  89          2HG1      VAL  89  -6.729   4.489  -3.469
  257   2HG2  VAL  89          3HG1      VAL  89  -6.334   3.534  -4.954
  258   3HG2  VAL  89          1HG1      VAL  89  -5.884   5.269  -4.867
  259    H    ALA  90           H        ALA  90 -10.504   2.394  -3.203
  260    HA   ALA  90           HA       ALA  90  -8.431   0.487  -3.170
  261   1HB   ALA  90          2HB       ALA  90 -10.137   0.542  -1.364
  262   2HB   ALA  90          1HB       ALA  90 -11.396   0.039  -2.573
  263   3HB   ALA  90          3HB       ALA  90 -10.020  -1.064  -2.186
  264    H    HIS  91           H        HIS  91 -10.885   1.239  -5.424
  265    HA   HIS  91           HA       HIS  91 -11.102  -1.198  -6.814
  266   1HB   HIS  91          2HB       HIS  91 -11.551   0.306  -8.797
  267   2HB   HIS  91          1HB       HIS  91 -12.711   0.453  -7.402
  268    HD1  HIS  91           HD1      HIS  91 -11.738   2.754  -5.790
  269    HD2  HIS  91           HD2      HIS  91 -11.371   2.653  -9.964
  270    HE1  HIS  91           HE1      HIS  91 -11.551   5.159  -6.633
  271    H    LEU  92           H        LEU  92  -8.792   1.516  -6.816
  272    HA   LEU  92           HA       LEU  92  -7.436   0.280  -9.082
  273   1HB   LEU  92          2HB       LEU  92  -6.669   2.833  -7.559
  274   2HB   LEU  92          1HB       LEU  92  -6.001   2.288  -9.140
  275    HG   LEU  92           HG       LEU  92  -8.858   3.223  -8.521
  276   1HD1  LEU  92          2HD1      LEU  92  -7.228   5.062  -8.747
  277   2HD1  LEU  92          3HD1      LEU  92  -6.703   4.431 -10.356
  278   3HD1  LEU  92          1HD1      LEU  92  -8.387   5.043 -10.128
  279   1HD2  LEU  92          2HD2      LEU  92  -7.716   1.999 -11.105
  280   2HD2  LEU  92          3HD2      LEU  92  -9.023   1.337 -10.055
  281   3HD2  LEU  92          1HD2      LEU  92  -9.309   2.858 -10.989
  282    H    CYS  93           H        CYS  93  -7.622  -0.609  -6.181
  283    HA   CYS  93           HA       CYS  93  -4.716  -0.798  -5.720
  284   1HB   CYS  93          1HB       CYS  93  -6.261  -0.371  -3.778
  285   2HB   CYS  93          2HB       CYS  93  -6.878  -2.043  -3.965
  286    H    HIS  94           H        HIS  94  -3.780  -2.262  -7.118
  287    HA   HIS  94           HA       HIS  94  -4.601  -4.985  -6.593
  288   1HB   HIS  94          2HB       HIS  94  -4.064  -3.899  -9.430
  289   2HB   HIS  94          1HB       HIS  94  -4.151  -5.643  -8.967
  290    HD1  HIS  94           HD1      HIS  94  -6.659  -6.348  -7.949
  291    HD2  HIS  94           HD2      HIS  94  -6.493  -2.755 -10.111
  292    HE1  HIS  94           HE1      HIS  94  -9.045  -5.685  -8.573
  293    H    TYR  95           H        TYR  95  -2.814  -6.229  -6.301
  294    HA   TYR  95           HA       TYR  95  -0.307  -4.766  -6.438
  295   1HB   TYR  95          1HB       TYR  95  -0.652  -7.625  -5.401
  296   2HB   TYR  95          2HB       TYR  95   0.733  -6.498  -5.094
  297    HD1  TYR  95           HD1      TYR  95  -2.726  -7.367  -4.383
  298    HD2  TYR  95           HD2      TYR  95   0.485  -4.727  -3.268
  299    HE1  TYR  95           HE1      TYR  95  -3.975  -6.640  -2.408
  300    HE2  TYR  95           HE2      TYR  95  -0.772  -4.042  -1.353
  301    HH   TYR  95           HH       TYR  95  -4.013  -5.292  -0.633
  302    H    MET  96           H        MET  96   1.493  -5.586  -7.598
  303    HA   MET  96           HA       MET  96   0.961  -6.844 -10.020
  304   1HB   MET  96          1HB       MET  96   3.557  -6.615  -8.650
  305   2HB   MET  96          2HB       MET  96   3.327  -6.877 -10.406
  306   1HG   MET  96          2HG       MET  96   2.170  -4.639 -10.548
  307   2HG   MET  96          1HG       MET  96   2.510  -4.351  -8.816
  308   1HE   MET  96          3HE       MET  96   4.722  -4.130  -7.715
  309   2HE   MET  96          1HE       MET  96   5.554  -5.543  -8.453
  310   3HE   MET  96          2HE       MET  96   6.312  -3.919  -8.520
  311    H    GLU  97           H        GLU  97   1.739  -8.919 -10.812
  312    HA   GLU  97           HA       GLU  97   1.221 -10.945  -8.876
  313   1HB   GLU  97          2HB       GLU  97   2.028 -11.155 -11.832
  314   2HB   GLU  97          1HB       GLU  97   1.671 -12.550 -10.765
  315   1HG   GLU  97          2HG       GLU  97  -0.323 -12.216 -12.017
  316   2HG   GLU  97          1HG       GLU  97  -0.672 -11.556 -10.372
  317    H    GLN  98           H        GLN  98   2.594 -12.610  -8.222
  318    HA   GLN  98           HA       GLN  98   5.359 -11.789  -8.121
  319   1HB   GLN  98          2HB       GLN  98   3.880 -14.105  -6.756
  320   2HB   GLN  98          1HB       GLN  98   5.597 -13.649  -6.467
  321   1HG   GLN  98          2HG       GLN  98   4.855 -11.386  -5.656
  322   2HG   GLN  98          1HG       GLN  98   3.129 -11.895  -5.834
  323   1HE2  GLN  98          2HE2      GLN  98   3.298 -14.420  -3.203
  324   2HE2  GLN  98          1HE2      GLN  98   2.657 -14.164  -4.791
  325    H    THR  99           H        THR  99   3.251 -14.070  -9.749
  326    HA   THR  99           HA       THR  99   5.361 -15.911 -10.279
  327    HB   THR  99           HB       THR  99   3.194 -16.861 -10.043
  328    HG1  THR  99           HG1      THR  99   3.085 -17.902 -12.036
  329   1HG2  THR  99          1HG2      THR  99   1.803 -14.862 -10.743
  330   2HG2  THR  99          2HG2      THR  99   2.275 -15.155 -12.461
  331   3HG2  THR  99          3HG2      THR  99   1.322 -16.383 -11.568
  332    H    TRP 100           H        TRP 100   3.775 -13.155 -11.929
  333    HA   TRP 100           HA       TRP 100   5.387 -13.581 -14.278
  334   1HB   TRP 100          1HB       TRP 100   3.641 -11.236 -13.359
  335   2HB   TRP 100          2HB       TRP 100   4.616 -11.221 -14.873
  336    HD1  TRP 100           HD1      TRP 100   1.487 -13.097 -13.395
  337    HE1  TRP 100           HE1      TRP 100   0.183 -14.055 -15.376
  338    HE3  TRP 100           HE3      TRP 100   4.783 -11.956 -17.079
  339    HZ2  TRP 100           HZ2      TRP 100   0.539 -14.309 -18.174
  340    HZ3  TRP 100           HZ3      TRP 100   4.252 -12.591 -19.388
  341    HH2  TRP 100           HH2      TRP 100   2.166 -13.748 -19.928
   
  No H/Q in entry =         341
  Start of MODEL   11
    1   1H    ILE  60          3H        ILE  60  10.481 -11.474  -4.581
    2   2H    ILE  60          1H        ILE  60   9.892 -10.780  -6.014
    3   3H    ILE  60          2H        ILE  60  11.565 -10.864  -5.736
    4    HA   ILE  60           HA       ILE  60  11.388  -9.435  -3.905
    5    HB   ILE  60           HB       ILE  60  11.685  -8.708  -6.331
    6   1HG1  ILE  60          2HG1      ILE  60  11.382  -6.256  -5.978
    7   2HG1  ILE  60          1HG1      ILE  60  10.543  -6.572  -4.432
    8   1HG2  ILE  60          3HG2      ILE  60   9.255  -9.142  -6.964
    9   2HG2  ILE  60          1HG2      ILE  60   8.805  -7.644  -6.048
   10   3HG2  ILE  60          2HG2      ILE  60   9.890  -7.534  -7.471
   11   1HD1  ILE  60          3HD1      ILE  60  13.458  -7.372  -5.123
   12   2HD1  ILE  60          1HD1      ILE  60  12.956  -5.976  -4.096
   13   3HD1  ILE  60          2HD1      ILE  60  12.652  -7.658  -3.533
   14    HA   PRO  61           HA       PRO  61   7.181  -9.247  -2.310
   15   1HB   PRO  61          1HB       PRO  61   7.920  -6.572  -1.073
   16   2HB   PRO  61          2HB       PRO  61   7.233  -8.029  -0.237
   17   1HG   PRO  61          2HG       PRO  61   9.879  -7.411   0.078
   18   2HG   PRO  61          1HG       PRO  61   9.381  -9.132  -0.218
   19   1HD   PRO  61          2HD       PRO  61  10.395  -7.091  -2.274
   20   2HD   PRO  61          1HD       PRO  61  10.918  -8.820  -2.058
   21    H    LEU  62           H        LEU  62   5.230  -8.354  -3.162
   22    HA   LEU  62           HA       LEU  62   5.751  -6.659  -5.388
   23   1HB   LEU  62          1HB       LEU  62   3.057  -7.709  -4.363
   24   2HB   LEU  62          2HB       LEU  62   3.357  -6.934  -5.951
   25    HG   LEU  62           HG       LEU  62   4.304  -9.689  -4.999
   26   1HD1  LEU  62          2HD1      LEU  62   2.491  -8.649  -7.265
   27   2HD1  LEU  62          3HD1      LEU  62   2.957 -10.385  -7.038
   28   3HD1  LEU  62          1HD1      LEU  62   1.973  -9.529  -5.785
   29   1HD2  LEU  62          3HD2      LEU  62   5.183  -8.145  -7.517
   30   2HD2  LEU  62          1HD2      LEU  62   6.235  -8.809  -6.211
   31   3HD2  LEU  62          2HD2      LEU  62   5.352  -9.931  -7.304
   32    H    SER  63           H        SER  63   4.516  -4.833  -5.992
   33    HA   SER  63           HA       SER  63   3.398  -3.342  -3.738
   34   1HB   SER  63          2HB       SER  63   5.755  -2.421  -4.247
   35   2HB   SER  63          1HB       SER  63   5.277  -2.285  -5.983
   36    HG   SER  63           HG       SER  63   5.099  -0.336  -4.858
   37    H    CYS  64           H        CYS  64   1.689  -1.922  -4.364
   38    HA   CYS  64           HA       CYS  64   0.406  -2.970  -6.666
   39   1HB   CYS  64          1HB       CYS  64  -1.576  -2.018  -5.839
   40   2HB   CYS  64          2HB       CYS  64  -0.740  -2.662  -4.425
   41    H    THR  65           H        THR  65  -0.968  -1.166  -7.893
   42    HA   THR  65           HA       THR  65   1.059  -0.178  -9.475
   43    HB   THR  65           HB       THR  65  -0.764   0.740 -10.901
   44    HG1  THR  65           HG1      THR  65  -2.363  -0.227  -8.762
   45   1HG2  THR  65          3HG2      THR  65  -0.039  -1.715 -10.952
   46   2HG2  THR  65          1HG2      THR  65  -1.351  -2.096  -9.777
   47   3HG2  THR  65          2HG2      THR  65  -1.767  -1.466 -11.407
   48    H    ILE  66           H        ILE  66  -0.781   1.433  -6.934
   49    HA   ILE  66           HA       ILE  66  -0.073   4.025  -8.000
   50    HB   ILE  66           HB       ILE  66  -1.508   3.582  -5.493
   51   1HG1  ILE  66          2HG1      ILE  66  -2.709   3.758  -8.330
   52   2HG1  ILE  66          1HG1      ILE  66  -2.682   2.277  -7.299
   53   1HG2  ILE  66          3HG2      ILE  66  -1.305   5.882  -7.551
   54   2HG2  ILE  66          1HG2      ILE  66  -2.381   5.918  -6.108
   55   3HG2  ILE  66          2HG2      ILE  66  -0.614   5.893  -5.895
   56   1HD1  ILE  66          1HD1      ILE  66  -4.002   3.430  -5.547
   57   2HD1  ILE  66          2HD1      ILE  66  -4.208   4.856  -6.643
   58   3HD1  ILE  66          3HD1      ILE  66  -4.870   3.251  -7.114
   59    H    CYS  67           H        CYS  67   0.663   1.740  -5.314
   60    HA   CYS  67           HA       CYS  67   2.090   3.703  -3.884
   61   1HB   CYS  67          1HB       CYS  67   2.222   0.656  -3.721
   62   2HB   CYS  67          2HB       CYS  67   3.104   1.758  -2.620
   63    H    ARG  68           H        ARG  68   2.913   1.617  -6.587
   64    HA   ARG  68           HA       ARG  68   5.726   1.908  -6.185
   65   1HB   ARG  68          2HB       ARG  68   4.495  -0.062  -7.308
   66   2HB   ARG  68          1HB       ARG  68   4.228   1.020  -8.715
   67   1HG   ARG  68          2HG       ARG  68   6.678   1.146  -9.096
   68   2HG   ARG  68          1HG       ARG  68   6.992   0.316  -7.528
   69   1HD   ARG  68          2HD       ARG  68   5.894  -1.761  -8.365
   70   2HD   ARG  68          1HD       ARG  68   5.556  -0.951  -9.961
   71    HE   ARG  68           HE       ARG  68   8.325  -0.629  -9.493
   72   1HH1  ARG  68          1HH1      ARG  68   5.980  -3.299  -9.807
   73   2HH1  ARG  68          2HH1      ARG  68   7.111  -4.402 -10.521
   74   1HH2  ARG  68          1HH2      ARG  68   9.849  -2.129 -10.460
   75   2HH2  ARG  68          2HH2      ARG  68   9.343  -3.728 -10.895
   76    H    LYS  69           H        LYS  69   3.092   3.705  -7.672
   77    HA   LYS  69           HA       LYS  69   4.736   5.061  -9.550
   78   1HB   LYS  69          2HB       LYS  69   2.294   4.600  -9.900
   79   2HB   LYS  69          1HB       LYS  69   1.911   5.753  -8.575
   80   1HG   LYS  69          2HG       LYS  69   2.910   7.621  -9.917
   81   2HG   LYS  69          1HG       LYS  69   3.416   6.436 -11.176
   82   1HD   LYS  69          2HD       LYS  69   0.992   5.856 -11.561
   83   2HD   LYS  69          1HD       LYS  69   0.521   7.054 -10.303
   84   1HE   LYS  69          2HE       LYS  69   0.228   8.024 -12.574
   85   2HE   LYS  69          1HE       LYS  69   1.560   8.898 -11.711
   86   1HZ   LYS  69          1HZ       LYS  69   1.899   6.703 -13.688
   87   2HZ   LYS  69          2HZ       LYS  69   2.124   8.362 -13.974
   88   3HZ   LYS  69          3HZ       LYS  69   3.144   7.540 -12.891
   89    H    ARG  70           H        ARG  70   3.208   5.837  -6.317
   90    HA   ARG  70           HA       ARG  70   4.249   8.450  -6.311
   91   1HB   ARG  70          1HB       ARG  70   3.344   6.712  -3.959
   92   2HB   ARG  70          2HB       ARG  70   3.447   8.496  -3.974
   93   1HG   ARG  70          2HG       ARG  70   1.458   6.808  -5.611
   94   2HG   ARG  70          1HG       ARG  70   1.143   7.482  -3.995
   95   1HD   ARG  70          2HD       ARG  70   0.038   8.887  -5.595
   96   2HD   ARG  70          1HD       ARG  70   1.472   9.830  -5.017
   97    HE   ARG  70           HE       ARG  70   2.315   8.405  -7.324
   98   1HH1  ARG  70          1HH1      ARG  70  -0.167  10.807  -6.436
   99   2HH1  ARG  70          2HH1      ARG  70  -0.225  11.544  -8.003
  100   1HH2  ARG  70          1HH2      ARG  70   2.226   9.411  -9.451
  101   2HH2  ARG  70          2HH2      ARG  70   1.154  10.741  -9.738
  102    H    LYS  71           H        LYS  71   5.179   5.220  -5.160
  103    HA   LYS  71           HA       LYS  71   6.898   4.375  -4.327
  104   1HB   LYS  71          2HB       LYS  71   8.290   6.022  -5.776
  105   2HB   LYS  71          1HB       LYS  71   8.489   6.984  -4.283
  106   1HG   LYS  71          2HG       LYS  71  10.443   5.590  -4.600
  107   2HG   LYS  71          1HG       LYS  71   9.554   5.006  -3.158
  108   1HD   LYS  71          2HD       LYS  71  10.453   3.141  -4.495
  109   2HD   LYS  71          1HD       LYS  71   8.662   3.076  -4.415
  110   1HE   LYS  71          2HE       LYS  71   9.542   2.500  -6.696
  111   2HE   LYS  71          1HE       LYS  71   8.514   3.986  -6.754
  112   1HZ   LYS  71          2HZ       LYS  71  11.486   3.913  -6.659
  113   2HZ   LYS  71          3HZ       LYS  71  10.522   4.220  -8.022
  114   3HZ   LYS  71          1HZ       LYS  71  10.518   5.307  -6.717
  115    H    VAL  72           H        VAL  72   4.948   4.592  -2.759
  116    HA   VAL  72           HA       VAL  72   6.052   5.513  -0.239
  117    HB   VAL  72           HB       VAL  72   3.667   5.241   0.523
  118   1HG1  VAL  72          1HG1      VAL  72   4.726   7.482   0.128
  119   2HG1  VAL  72          2HG1      VAL  72   4.181   7.439  -1.592
  120   3HG1  VAL  72          3HG1      VAL  72   2.965   7.510  -0.265
  121   1HG2  VAL  72          1HG2      VAL  72   3.050   5.184  -2.501
  122   2HG2  VAL  72          2HG2      VAL  72   2.720   3.875  -1.303
  123   3HG2  VAL  72          3HG2      VAL  72   1.844   5.432  -1.197
  124    H    LYS  73           H        LYS  73   5.328   3.765   1.431
  125    HA   LYS  73           HA       LYS  73   6.091   1.290   0.214
  126   1HB   LYS  73          2HB       LYS  73   6.637   2.110   2.687
  127   2HB   LYS  73          1HB       LYS  73   5.080   1.238   2.938
  128   1HG   LYS  73          2HG       LYS  73   6.246  -0.648   1.435
  129   2HG   LYS  73          1HG       LYS  73   7.758   0.162   1.957
  130   1HD   LYS  73          2HD       LYS  73   7.012  -0.145   4.367
  131   2HD   LYS  73          1HD       LYS  73   5.535  -0.982   3.759
  132   1HE   LYS  73          2HE       LYS  73   8.442  -1.954   3.306
  133   2HE   LYS  73          1HE       LYS  73   7.271  -2.629   4.515
  134   1HZ   LYS  73          3HZ       LYS  73   5.811  -3.201   2.694
  135   2HZ   LYS  73          1HZ       LYS  73   6.911  -2.572   1.565
  136   3HZ   LYS  73          2HZ       LYS  73   7.340  -3.918   2.507
  137    H    CYS  74           H        CYS  74   4.737  -0.053  -0.780
  138    HA   CYS  74           HA       CYS  74   1.996  -0.184  -0.364
  139   1HB   CYS  74          1HB       CYS  74   3.505  -1.054  -2.295
  140   2HB   CYS  74          2HB       CYS  74   3.800  -2.485  -1.253
  141    H    ASP  75           H        ASP  75   0.928  -2.408   0.407
  142    HA   ASP  75           HA       ASP  75   2.081  -2.625   3.135
  143   1HB   ASP  75          2HB       ASP  75  -0.847  -2.084   2.420
  144   2HB   ASP  75          1HB       ASP  75  -0.247  -2.519   4.062
  145    H    LYS  76           H        LYS  76  -0.149  -3.844   0.666
  146    HA   LYS  76           HA       LYS  76  -0.572  -5.853  -0.050
  147   1HB   LYS  76          1HB       LYS  76   1.351  -7.107   1.954
  148   2HB   LYS  76          2HB       LYS  76   0.664  -7.886   0.498
  149   1HG   LYS  76          2HG       LYS  76   2.236  -6.931  -0.907
  150   2HG   LYS  76          1HG       LYS  76   2.256  -5.377  -0.016
  151   1HD   LYS  76          2HD       LYS  76   3.480  -6.523   1.894
  152   2HD   LYS  76          1HD       LYS  76   3.611  -7.997   0.869
  153   1HE   LYS  76          2HE       LYS  76   5.711  -6.653   0.829
  154   2HE   LYS  76          1HE       LYS  76   4.950  -6.657  -0.814
  155   1HZ   LYS  76          3HZ       LYS  76   4.006  -4.497  -0.300
  156   2HZ   LYS  76          1HZ       LYS  76   4.740  -4.505   1.231
  157   3HZ   LYS  76          2HZ       LYS  76   5.700  -4.483  -0.171
  158    H    LEU  77           H        LEU  77  -2.140  -4.585   1.977
  159    HA   LEU  77           HA       LEU  77  -2.895  -6.750   3.758
  160   1HB   LEU  77          2HB       LEU  77  -4.347  -4.103   3.171
  161   2HB   LEU  77          1HB       LEU  77  -4.807  -5.310   4.407
  162    HG   LEU  77           HG       LEU  77  -2.812  -3.107   4.469
  163   1HD1  LEU  77          1HD1      LEU  77  -4.953  -3.127   5.729
  164   2HD1  LEU  77          2HD1      LEU  77  -4.473  -4.656   6.557
  165   3HD1  LEU  77          3HD1      LEU  77  -3.561  -3.128   6.883
  166   1HD2  LEU  77          3HD2      LEU  77  -2.098  -5.738   5.898
  167   2HD2  LEU  77          1HD2      LEU  77  -1.120  -4.842   4.662
  168   3HD2  LEU  77          2HD2      LEU  77  -1.415  -4.105   6.265
  169    H    ARG  78           H        ARG  78  -4.903  -7.909   3.470
  170    HA   ARG  78           HA       ARG  78  -5.719  -7.827   0.665
  171   1HB   ARG  78          2HB       ARG  78  -5.935  -9.903   2.841
  172   2HB   ARG  78          1HB       ARG  78  -7.200  -9.850   1.566
  173   1HG   ARG  78          2HG       ARG  78  -5.429 -11.460   0.970
  174   2HG   ARG  78          1HG       ARG  78  -5.581 -10.123  -0.221
  175   1HD   ARG  78          2HD       ARG  78  -3.508  -9.030   0.728
  176   2HD   ARG  78          1HD       ARG  78  -3.385 -10.363   1.948
  177    HE   ARG  78           HE       ARG  78  -2.682 -11.843   0.233
  178   1HH1  ARG  78          1HH1      ARG  78  -3.726  -8.711  -1.136
  179   2HH1  ARG  78          2HH1      ARG  78  -2.976  -8.977  -2.674
  180   1HH2  ARG  78          1HH2      ARG  78  -1.675 -12.181  -1.856
  181   2HH2  ARG  78          2HH2      ARG  78  -1.802 -10.970  -3.088
  182    HA   PRO  79           HA       PRO  79  -7.586  -7.914  -0.583
  183   1HB   PRO  79          1HB       PRO  79  -9.515  -6.201  -1.688
  184   2HB   PRO  79          2HB       PRO  79  -9.868  -7.851  -1.029
  185   1HG   PRO  79          2HG       PRO  79 -10.263  -5.150   0.324
  186   2HG   PRO  79          1HG       PRO  79 -11.332  -6.610   0.375
  187   1HD   PRO  79          2HD       PRO  79  -9.514  -5.915   2.401
  188   2HD   PRO  79          1HD       PRO  79  -9.939  -7.648   2.026
  189    H    HIS  80           H        HIS  80  -8.117  -4.451   0.507
  190    HA   HIS  80           HA       HIS  80  -6.003  -3.696  -1.388
  191   1HB   HIS  80          2HB       HIS  80  -7.050  -1.376  -1.236
  192   2HB   HIS  80          1HB       HIS  80  -8.082  -2.622  -2.016
  193    HD1  HIS  80           HD1      HIS  80  -7.902  -0.559   1.183
  194    HD2  HIS  80           HD2      HIS  80 -10.448  -3.297  -0.712
  195    HE1  HIS  80           HE1      HIS  80 -10.137  -0.548   2.417
  196    H    CYS  81           H        CYS  81  -4.696  -1.750  -0.641
  197    HA   CYS  81           HA       CYS  81  -3.542  -2.437   1.803
  198   1HB   CYS  81          2HB       CYS  81  -3.118   0.205   0.338
  199   2HB   CYS  81          1HB       CYS  81  -1.932  -0.703   1.298
  200    H    GLN  82           H        GLN  82  -2.769  -0.580   3.243
  201    HA   GLN  82           HA       GLN  82  -4.951   0.758   4.449
  202   1HB   GLN  82          2HB       GLN  82  -1.923   1.135   4.767
  203   2HB   GLN  82          1HB       GLN  82  -3.158   1.867   5.851
  204   1HG   GLN  82          2HG       GLN  82  -3.857  -0.347   6.666
  205   2HG   GLN  82          1HG       GLN  82  -2.854  -1.171   5.408
  206   1HE2  GLN  82          2HE2      GLN  82  -0.059  -1.412   7.407
  207   2HE2  GLN  82          1HE2      GLN  82  -1.141  -2.084   6.226
  208    H    GLN  83           H        GLN  83  -2.727   1.538   1.876
  209    HA   GLN  83           HA       GLN  83  -2.909   4.350   2.058
  210   1HB   GLN  83          2HB       GLN  83  -1.046   3.168   0.864
  211   2HB   GLN  83          1HB       GLN  83  -2.219   2.494  -0.304
  212   1HG   GLN  83          2HG       GLN  83  -0.981   4.395  -1.285
  213   2HG   GLN  83          1HG       GLN  83  -2.720   4.834  -1.148
  214   1HE2  GLN  83          2HE2      GLN  83   0.143   6.504   1.437
  215   2HE2  GLN  83          1HE2      GLN  83   0.409   4.959   0.704
  216    H    CYS  84           H        CYS  84  -4.293   1.928  -0.353
  217    HA   CYS  84           HA       CYS  84  -6.106   3.518  -1.356
  218   1HB   CYS  84          1HB       CYS  84  -5.899   0.582  -1.257
  219   2HB   CYS  84          2HB       CYS  84  -6.702   1.518  -2.539
  220    H    THR  85           H        THR  85  -6.430   1.954   1.753
  221    HA   THR  85           HA       THR  85  -9.258   1.771   1.677
  222    HB   THR  85           HB       THR  85  -7.364   2.276   4.053
  223    HG1  THR  85           HG1      THR  85  -7.146   0.289   2.971
  224   1HG2  THR  85          3HG2      THR  85 -10.373   1.539   3.940
  225   2HG2  THR  85          1HG2      THR  85  -9.339   1.348   5.401
  226   3HG2  THR  85          2HG2      THR  85  -9.647   2.983   4.753
  227    H    LYS  86           H        LYS  86  -6.856   4.239   2.810
  228    HA   LYS  86           HA       LYS  86  -8.912   5.955   3.644
  229   1HB   LYS  86          1HB       LYS  86  -6.001   6.369   3.420
  230   2HB   LYS  86          2HB       LYS  86  -7.119   7.444   4.309
  231   1HG   LYS  86          2HG       LYS  86  -6.479   4.501   5.002
  232   2HG   LYS  86          1HG       LYS  86  -5.849   5.952   5.845
  233   1HD   LYS  86          2HD       LYS  86  -8.168   6.560   6.554
  234   2HD   LYS  86          1HD       LYS  86  -8.823   5.134   5.670
  235   1HE   LYS  86          2HE       LYS  86  -8.654   4.623   8.084
  236   2HE   LYS  86          1HE       LYS  86  -7.491   3.595   7.148
  237   1HZ   LYS  86          1HZ       LYS  86  -5.756   5.175   7.719
  238   2HZ   LYS  86          2HZ       LYS  86  -6.854   6.092   8.634
  239   3HZ   LYS  86          3HZ       LYS  86  -6.483   4.501   9.100
  240    H    THR  87           H        THR  87  -7.140   5.499   0.680
  241    HA   THR  87           HA       THR  87  -7.665   8.146  -0.280
  242    HB   THR  87           HB       THR  87  -6.850   5.583  -1.737
  243    HG1  THR  87           HG1      THR  87  -5.333   6.338  -0.294
  244   1HG2  THR  87          3HG2      THR  87  -6.979   8.544  -2.647
  245   2HG2  THR  87          1HG2      THR  87  -6.137   7.223  -3.543
  246   3HG2  THR  87          2HG2      THR  87  -7.914   7.153  -3.334
  247    H    GLY  88           H        GLY  88  -8.885   4.771  -0.904
  248   1HA   GLY  88          1HA       GLY  88 -11.091   4.239  -1.156
  249   2HA   GLY  88          2HA       GLY  88 -11.468   5.953  -1.612
  250    H    VAL  89           H        VAL  89  -8.627   4.233  -2.652
  251    HA   VAL  89           HA       VAL  89  -9.656   3.935  -5.362
  252    HB   VAL  89           HB       VAL  89  -8.030   5.578  -4.631
  253   1HG1  VAL  89          1HG1      VAL  89  -6.553   3.760  -3.273
  254   2HG1  VAL  89          2HG1      VAL  89  -6.102   3.211  -4.937
  255   3HG1  VAL  89          3HG1      VAL  89  -5.536   4.827  -4.312
  256   1HG2  VAL  89          3HG2      VAL  89  -8.162   5.734  -6.826
  257   2HG2  VAL  89          1HG2      VAL  89  -6.649   6.273  -6.054
  258   3HG2  VAL  89          2HG2      VAL  89  -6.619   4.745  -6.946
  259    H    ALA  90           H        ALA  90 -10.252   2.202  -3.184
  260    HA   ALA  90           HA       ALA  90  -8.309   0.168  -2.888
  261   1HB   ALA  90          3HB       ALA  90 -11.366   0.079  -2.598
  262   2HB   ALA  90          2HB       ALA  90 -10.250  -1.284  -2.214
  263   3HB   ALA  90          1HB       ALA  90 -10.163   0.257  -1.246
  264    H    HIS  91           H        HIS  91 -10.974   0.840  -5.076
  265    HA   HIS  91           HA       HIS  91 -11.017  -1.573  -6.492
  266   1HB   HIS  91          2HB       HIS  91 -11.805  -0.059  -8.363
  267   2HB   HIS  91          1HB       HIS  91 -12.842  -0.171  -6.860
  268    HD1  HIS  91           HD1      HIS  91 -11.125   2.362  -5.504
  269    HD2  HIS  91           HD2      HIS  91 -13.155   2.167  -9.166
  270    HE1  HIS  91           HE1      HIS  91 -11.676   4.748  -6.245
  271    H    LEU  92           H        LEU  92  -8.971   1.308  -6.525
  272    HA   LEU  92           HA       LEU  92  -7.872   0.562  -9.045
  273   1HB   LEU  92          1HB       LEU  92  -7.120   2.702  -6.983
  274   2HB   LEU  92          2HB       LEU  92  -6.452   2.731  -8.576
  275    HG   LEU  92           HG       LEU  92  -8.832   3.964  -7.488
  276   1HD1  LEU  92          3HD1      LEU  92  -6.967   5.025  -8.956
  277   2HD1  LEU  92          1HD1      LEU  92  -7.657   4.168 -10.372
  278   3HD1  LEU  92          2HD1      LEU  92  -8.649   5.395  -9.495
  279   1HD2  LEU  92          1HD2      LEU  92  -9.206   2.378 -10.192
  280   2HD2  LEU  92          2HD2      LEU  92 -10.167   2.122  -8.706
  281   3HD2  LEU  92          3HD2      LEU  92 -10.321   3.671  -9.606
  282    H    CYS  93           H        CYS  93  -7.610  -0.591  -6.130
  283    HA   CYS  93           HA       CYS  93  -4.677  -0.703  -6.038
  284   1HB   CYS  93          1HB       CYS  93  -5.963  -0.390  -3.904
  285   2HB   CYS  93          2HB       CYS  93  -6.677  -2.020  -4.128
  286    H    HIS  94           H        HIS  94  -3.600  -2.257  -7.163
  287    HA   HIS  94           HA       HIS  94  -4.540  -4.954  -6.788
  288   1HB   HIS  94          2HB       HIS  94  -3.783  -3.910  -9.591
  289   2HB   HIS  94          1HB       HIS  94  -4.079  -5.623  -9.121
  290    HD1  HIS  94           HD1      HIS  94  -5.841  -2.373  -9.979
  291    HD2  HIS  94           HD2      HIS  94  -6.910  -6.251  -8.784
  292    HE1  HIS  94           HE1      HIS  94  -8.359  -2.642 -10.314
  293    H    TYR  95           H        TYR  95  -2.775  -6.276  -6.454
  294    HA   TYR  95           HA       TYR  95  -0.205  -4.920  -6.615
  295   1HB   TYR  95          1HB       TYR  95  -0.600  -7.762  -5.563
  296   2HB   TYR  95          2HB       TYR  95   0.818  -6.646  -5.331
  297    HD1  TYR  95           HD1      TYR  95  -2.619  -7.472  -4.489
  298    HD2  TYR  95           HD2      TYR  95   0.610  -4.776  -3.523
  299    HE1  TYR  95           HE1      TYR  95  -3.868  -6.596  -2.564
  300    HE2  TYR  95           HE2      TYR  95  -0.647  -3.922  -1.753
  301    HH   TYR  95           HH       TYR  95  -2.575  -3.944  -0.596
  302    H    MET  96           H        MET  96   1.339  -5.472  -8.074
  303    HA   MET  96           HA       MET  96   0.602  -7.534 -10.016
  304   1HB   MET  96          1HB       MET  96   1.518  -4.806 -10.678
  305   2HB   MET  96          2HB       MET  96   1.385  -6.146 -11.862
  306   1HG   MET  96          2HG       MET  96  -1.094  -6.313 -11.239
  307   2HG   MET  96          1HG       MET  96  -0.909  -4.776 -10.336
  308   1HE   MET  96          3HE       MET  96  -3.036  -5.344 -12.404
  309   2HE   MET  96          1HE       MET  96  -2.848  -3.735 -11.630
  310   3HE   MET  96          2HE       MET  96  -3.066  -3.853 -13.408
  311    H    GLU  97           H        GLU  97   2.469  -8.259 -11.290
  312    HA   GLU  97           HA       GLU  97   4.619  -8.625  -9.507
  313   1HB   GLU  97          2HB       GLU  97   5.593 -10.109 -11.184
  314   2HB   GLU  97          1HB       GLU  97   3.848 -10.466 -10.972
  315   1HG   GLU  97          2HG       GLU  97   3.348  -9.135 -13.082
  316   2HG   GLU  97          1HG       GLU  97   5.128  -8.932 -13.345
  317    H    GLN  98           H        GLN  98   6.897  -8.352 -10.075
  318    HA   GLN  98           HA       GLN  98   7.455  -5.894 -11.466
  319   1HB   GLN  98          2HB       GLN  98   8.829  -6.570  -9.493
  320   2HB   GLN  98          1HB       GLN  98   9.268  -8.107 -10.309
  321   1HG   GLN  98          2HG       GLN  98  10.631  -6.895 -11.976
  322   2HG   GLN  98          1HG       GLN  98   9.974  -5.306 -11.412
  323   1HE2  GLN  98          2HE2      GLN  98  12.227  -4.911  -8.772
  324   2HE2  GLN  98          1HE2      GLN  98  11.029  -4.245  -9.832
  325    H    THR  99           H        THR  99   7.110  -5.977 -13.632
  326    HA   THR  99           HA       THR  99   7.216  -8.521 -14.919
  327    HB   THR  99           HB       THR  99   5.388  -7.293 -15.655
  328    HG1  THR  99           HG1      THR  99   7.501  -6.839 -17.489
  329   1HG2  THR  99          2HG2      THR  99   7.266  -4.851 -15.991
  330   2HG2  THR  99          3HG2      THR  99   5.536  -4.934 -16.475
  331   3HG2  THR  99          1HG2      THR  99   5.976  -5.065 -14.741
  332    H    TRP 100           H        TRP 100   8.732  -9.336 -16.142
  333    HA   TRP 100           HA       TRP 100  11.253  -8.085 -15.776
  334   1HB   TRP 100          2HB       TRP 100  10.675 -10.721 -17.210
  335   2HB   TRP 100          1HB       TRP 100  12.173 -10.257 -16.311
  336    HD1  TRP 100           HD1      TRP 100   8.761 -11.931 -15.818
  337    HE1  TRP 100           HE1      TRP 100   8.294 -12.311 -13.330
  338    HE3  TRP 100           HE3      TRP 100  12.637  -9.277 -13.910
  339    HZ2  TRP 100           HZ2      TRP 100   9.519 -11.666 -10.859
  340    HZ3  TRP 100           HZ3      TRP 100  12.922  -9.169 -11.476
  341    HH2  TRP 100           HH2      TRP 100  11.387 -10.337  -9.975
   
  No H/Q in entry =         341
  Start of MODEL   12
    1   1H    ILE  60          1H        ILE  60   9.996  -9.096  -4.698
    2   2H    ILE  60          2H        ILE  60  10.636  -9.208  -3.130
    3   3H    ILE  60          3H        ILE  60  11.349 -10.080  -4.402
    4    HA   ILE  60           HA       ILE  60   9.436 -11.384  -4.659
    5    HB   ILE  60           HB       ILE  60  10.830 -11.333  -2.115
    6   1HG1  ILE  60          2HG1      ILE  60  11.473 -13.663  -2.932
    7   2HG1  ILE  60          1HG1      ILE  60  10.595 -13.315  -4.454
    8   1HG2  ILE  60          1HG2      ILE  60   8.476 -13.246  -2.746
    9   2HG2  ILE  60          2HG2      ILE  60   9.726 -13.556  -1.496
   10   3HG2  ILE  60          3HG2      ILE  60   8.633 -12.162  -1.298
   11   1HD1  ILE  60          1HD1      ILE  60  12.986 -11.676  -3.361
   12   2HD1  ILE  60          2HD1      ILE  60  13.108 -12.987  -4.594
   13   3HD1  ILE  60          3HD1      ILE  60  12.207 -11.480  -4.980
   14    HA   PRO  61           HA       PRO  61   5.960  -9.603  -2.105
   15   1HB   PRO  61          1HB       PRO  61   7.104  -6.943  -1.187
   16   2HB   PRO  61          2HB       PRO  61   5.939  -8.009  -0.297
   17   1HG   PRO  61          2HG       PRO  61   8.571  -7.883   0.479
   18   2HG   PRO  61          1HG       PRO  61   7.719  -9.485   0.412
   19   1HD   PRO  61          2HD       PRO  61   9.588  -8.264  -1.694
   20   2HD   PRO  61          1HD       PRO  61   9.549  -9.960  -1.026
   21    H    LEU  62           H        LEU  62   4.500  -8.572  -3.507
   22    HA   LEU  62           HA       LEU  62   5.641  -6.929  -5.585
   23   1HB   LEU  62          2HB       LEU  62   2.713  -7.643  -4.992
   24   2HB   LEU  62          1HB       LEU  62   3.291  -6.783  -6.450
   25    HG   LEU  62           HG       LEU  62   3.829  -9.713  -5.711
   26   1HD1  LEU  62          2HD1      LEU  62   2.148  -8.294  -7.874
   27   2HD1  LEU  62          3HD1      LEU  62   2.456 -10.079  -7.826
   28   3HD1  LEU  62          1HD1      LEU  62   1.541  -9.273  -6.493
   29   1HD2  LEU  62          3HD2      LEU  62   4.855  -8.074  -8.115
   30   2HD2  LEU  62          1HD2      LEU  62   5.854  -8.868  -6.840
   31   3HD2  LEU  62          2HD2      LEU  62   4.904  -9.873  -7.993
   32    H    SER  63           H        SER  63   4.501  -4.874  -6.157
   33    HA   SER  63           HA       SER  63   3.399  -3.546  -3.799
   34   1HB   SER  63          2HB       SER  63   5.789  -2.648  -4.356
   35   2HB   SER  63          1HB       SER  63   5.217  -2.373  -6.045
   36    HG   SER  63           HG       SER  63   3.680  -0.927  -5.158
   37    H    CYS  64           H        CYS  64   1.830  -1.870  -4.350
   38    HA   CYS  64           HA       CYS  64   0.252  -2.813  -6.489
   39   1HB   CYS  64          2HB       CYS  64  -0.197  -0.154  -5.022
   40   2HB   CYS  64          1HB       CYS  64  -1.385  -1.290  -5.786
   41    H    THR  65           H        THR  65  -0.731  -1.159  -8.012
   42    HA   THR  65           HA       THR  65   1.350   0.051  -9.501
   43    HB   THR  65           HB       THR  65  -0.180  -0.534 -11.055
   44    HG1  THR  65           HG1      THR  65  -0.301   1.733 -11.023
   45   1HG2  THR  65          2HG2      THR  65  -2.333  -0.320  -8.834
   46   2HG2  THR  65          3HG2      THR  65  -2.631  -0.846 -10.527
   47   3HG2  THR  65          1HG2      THR  65  -1.563  -1.834  -9.476
   48    H    ILE  66           H        ILE  66  -1.053   1.056  -7.106
   49    HA   ILE  66           HA       ILE  66  -0.673   3.835  -7.610
   50    HB   ILE  66           HB       ILE  66  -1.503   3.246  -4.942
   51   1HG1  ILE  66          2HG1      ILE  66  -2.403   1.124  -5.967
   52   2HG1  ILE  66          1HG1      ILE  66  -3.605   2.190  -5.241
   53   1HG2  ILE  66          1HG2      ILE  66  -1.546   5.411  -6.136
   54   2HG2  ILE  66          2HG2      ILE  66  -2.748   4.774  -7.309
   55   3HG2  ILE  66          3HG2      ILE  66  -3.193   4.958  -5.564
   56   1HD1  ILE  66          3HD1      ILE  66  -4.245   3.066  -7.529
   57   2HD1  ILE  66          1HD1      ILE  66  -3.150   1.833  -8.263
   58   3HD1  ILE  66          2HD1      ILE  66  -4.556   1.319  -7.247
   59    H    CYS  67           H        CYS  67   0.635   1.338  -5.394
   60    HA   CYS  67           HA       CYS  67   1.790   3.317  -3.712
   61   1HB   CYS  67          1HB       CYS  67   2.139   0.286  -3.851
   62   2HB   CYS  67          2HB       CYS  67   2.986   1.321  -2.656
   63    H    ARG  68           H        ARG  68   2.699   1.662  -6.642
   64    HA   ARG  68           HA       ARG  68   5.477   2.258  -6.375
   65   1HB   ARG  68          1HB       ARG  68   4.448   0.341  -7.752
   66   2HB   ARG  68          2HB       ARG  68   3.886   1.595  -8.910
   67   1HG   ARG  68          2HG       ARG  68   6.327   2.210  -9.309
   68   2HG   ARG  68          1HG       ARG  68   6.799   0.946  -8.115
   69   1HD   ARG  68          2HD       ARG  68   5.686  -0.805  -9.582
   70   2HD   ARG  68          1HD       ARG  68   5.312   0.505 -10.791
   71    HE   ARG  68           HE       ARG  68   8.149   0.443 -10.029
   72   1HH1  ARG  68          1HH1      ARG  68   5.613  -1.067 -12.030
   73   2HH1  ARG  68          2HH1      ARG  68   6.713  -1.698 -13.211
   74   1HH2  ARG  68          1HH2      ARG  68   9.639  -0.420 -11.637
   75   2HH2  ARG  68          2HH2      ARG  68   9.032  -1.326 -12.984
   76    H    LYS  69           H        LYS  69   2.504   3.911  -7.406
   77    HA   LYS  69           HA       LYS  69   3.796   5.719  -9.143
   78   1HB   LYS  69          2HB       LYS  69   1.358   5.162  -9.312
   79   2HB   LYS  69          1HB       LYS  69   1.081   6.000  -7.749
   80   1HG   LYS  69          2HG       LYS  69   1.821   8.165  -8.761
   81   2HG   LYS  69          1HG       LYS  69   2.207   7.309 -10.297
   82   1HD   LYS  69          2HD       LYS  69  -0.206   6.708 -10.556
   83   2HD   LYS  69          1HD       LYS  69  -0.574   7.479  -8.970
   84   1HE   LYS  69          2HE       LYS  69  -1.190   9.003 -10.847
   85   2HE   LYS  69          1HE       LYS  69   0.179   9.712  -9.896
   86   1HZ   LYS  69          2HZ       LYS  69   1.693   8.850 -11.557
   87   2HZ   LYS  69          3HZ       LYS  69   0.401   8.205 -12.451
   88   3HZ   LYS  69          1HZ       LYS  69   0.538   9.886 -12.247
   89    H    ARG  70           H        ARG  70   2.562   5.909  -5.678
   90    HA   ARG  70           HA       ARG  70   3.558   8.542  -5.495
   91   1HB   ARG  70          2HB       ARG  70   3.134   6.888  -3.015
   92   2HB   ARG  70          1HB       ARG  70   2.756   8.613  -3.301
   93   1HG   ARG  70          2HG       ARG  70   1.181   6.130  -4.213
   94   2HG   ARG  70          1HG       ARG  70   0.735   7.295  -2.964
   95   1HD   ARG  70          2HD       ARG  70   0.542   9.106  -4.778
   96   2HD   ARG  70          1HD       ARG  70   0.744   7.793  -6.011
   97    HE   ARG  70           HE       ARG  70  -1.288   7.012  -4.141
   98   1HH1  ARG  70          1HH1      ARG  70  -0.596   9.482  -6.620
   99   2HH1  ARG  70          2HH1      ARG  70  -2.258   9.778  -7.002
  100   1HH2  ARG  70          1HH2      ARG  70  -3.550   7.422  -4.666
  101   2HH2  ARG  70          2HH2      ARG  70  -3.961   8.592  -5.877
  102    H    LYS  71           H        LYS  71   4.709   5.270  -4.810
  103    HA   LYS  71           HA       LYS  71   6.560   4.410  -4.243
  104   1HB   LYS  71          1HB       LYS  71   7.842   6.124  -5.590
  105   2HB   LYS  71          2HB       LYS  71   8.047   7.065  -4.071
  106   1HG   LYS  71          2HG       LYS  71   8.748   4.271  -3.540
  107   2HG   LYS  71          1HG       LYS  71   9.528   4.764  -5.062
  108   1HD   LYS  71          2HD       LYS  71  10.524   6.767  -3.878
  109   2HD   LYS  71          1HD       LYS  71   9.683   6.259  -2.366
  110   1HE   LYS  71          2HE       LYS  71  11.006   4.124  -2.335
  111   2HE   LYS  71          1HE       LYS  71  11.868   4.642  -3.845
  112   1HZ   LYS  71          2HZ       LYS  71  11.857   6.087  -1.245
  113   2HZ   LYS  71          3HZ       LYS  71  13.119   5.137  -1.870
  114   3HZ   LYS  71          1HZ       LYS  71  12.665   6.569  -2.659
  115    H    VAL  72           H        VAL  72   5.288   3.848  -2.506
  116    HA   VAL  72           HA       VAL  72   6.174   4.876   0.029
  117    HB   VAL  72           HB       VAL  72   3.731   4.278   0.699
  118   1HG1  VAL  72          3HG1      VAL  72   4.742   6.573   0.867
  119   2HG1  VAL  72          1HG1      VAL  72   4.260   6.909  -0.840
  120   3HG1  VAL  72          2HG1      VAL  72   2.996   6.643   0.417
  121   1HG2  VAL  72          1HG2      VAL  72   3.253   4.881  -2.297
  122   2HG2  VAL  72          2HG2      VAL  72   2.946   3.326  -1.435
  123   3HG2  VAL  72          3HG2      VAL  72   1.995   4.791  -1.036
  124    H    LYS  73           H        LYS  73   5.556   3.046   1.630
  125    HA   LYS  73           HA       LYS  73   6.293   0.583   0.345
  126   1HB   LYS  73          2HB       LYS  73   5.851   1.447   3.226
  127   2HB   LYS  73          1HB       LYS  73   5.724  -0.294   2.797
  128   1HG   LYS  73          2HG       LYS  73   7.966   0.190   3.612
  129   2HG   LYS  73          1HG       LYS  73   7.999  -0.337   1.893
  130   1HD   LYS  73          2HD       LYS  73   8.277   2.026   1.150
  131   2HD   LYS  73          1HD       LYS  73   8.239   2.580   2.865
  132   1HE   LYS  73          2HE       LYS  73  10.352   0.692   1.606
  133   2HE   LYS  73          1HE       LYS  73  10.580   2.449   1.981
  134   1HZ   LYS  73          2HZ       LYS  73  10.188   1.948   4.298
  135   2HZ   LYS  73          3HZ       LYS  73   9.987   0.299   3.944
  136   3HZ   LYS  73          1HZ       LYS  73  11.489   1.047   3.681
  137    H    CYS  74           H        CYS  74   4.960  -0.756  -0.545
  138    HA   CYS  74           HA       CYS  74   2.199  -0.701  -0.275
  139   1HB   CYS  74          1HB       CYS  74   3.651  -1.574  -2.187
  140   2HB   CYS  74          2HB       CYS  74   4.004  -3.016  -1.178
  141    H    ASP  75           H        ASP  75   0.892  -2.798   0.440
  142    HA   ASP  75           HA       ASP  75   1.998  -3.230   3.159
  143   1HB   ASP  75          1HB       ASP  75  -0.888  -2.504   2.437
  144   2HB   ASP  75          2HB       ASP  75  -0.345  -3.106   4.043
  145    H    LYS  76           H        LYS  76  -0.476  -4.317   0.800
  146    HA   LYS  76           HA       LYS  76  -1.606  -6.135   0.586
  147   1HB   LYS  76          2HB       LYS  76   0.908  -7.553   1.587
  148   2HB   LYS  76          1HB       LYS  76  -0.550  -8.396   0.966
  149   1HG   LYS  76          2HG       LYS  76  -0.301  -7.522  -1.226
  150   2HG   LYS  76          1HG       LYS  76   0.899  -6.278  -0.720
  151   1HD   LYS  76          2HD       LYS  76   2.570  -7.885  -0.219
  152   2HD   LYS  76          1HD       LYS  76   1.433  -9.276  -0.394
  153   1HE   LYS  76          2HE       LYS  76   2.269  -7.408  -2.708
  154   2HE   LYS  76          1HE       LYS  76   2.969  -9.052  -2.392
  155   1HZ   LYS  76          3HZ       LYS  76   0.758  -9.966  -2.648
  156   2HZ   LYS  76          1HZ       LYS  76   0.124  -8.424  -2.972
  157   3HZ   LYS  76          2HZ       LYS  76   1.250  -9.119  -4.036
  158    H    LEU  77           H        LEU  77  -2.801  -5.001   2.412
  159    HA   LEU  77           HA       LEU  77  -2.812  -6.545   4.855
  160   1HB   LEU  77          2HB       LEU  77  -4.876  -4.546   3.770
  161   2HB   LEU  77          1HB       LEU  77  -4.857  -5.246   5.425
  162    HG   LEU  77           HG       LEU  77  -2.812  -3.308   4.199
  163   1HD1  LEU  77          2HD1      LEU  77  -5.084  -2.407   4.659
  164   2HD1  LEU  77          3HD1      LEU  77  -4.972  -2.960   6.372
  165   3HD1  LEU  77          1HD1      LEU  77  -3.843  -1.689   5.764
  166   1HD2  LEU  77          3HD2      LEU  77  -2.926  -4.464   7.063
  167   2HD2  LEU  77          1HD2      LEU  77  -1.636  -4.772   5.837
  168   3HD2  LEU  77          2HD2      LEU  77  -1.860  -3.119   6.509
  169    H    ARG  78           H        ARG  78  -4.608  -5.946   1.893
  170    HA   ARG  78           HA       ARG  78  -5.365  -7.409   0.474
  171   1HB   ARG  78          2HB       ARG  78  -4.422  -9.403   1.887
  172   2HB   ARG  78          1HB       ARG  78  -6.086  -9.514   2.541
  173   1HG   ARG  78          2HG       ARG  78  -5.853 -11.127   0.774
  174   2HG   ARG  78          1HG       ARG  78  -6.955  -9.844   0.182
  175   1HD   ARG  78          2HD       ARG  78  -5.320 -10.614  -1.573
  176   2HD   ARG  78          1HD       ARG  78  -5.034  -8.865  -1.175
  177    HE   ARG  78           HE       ARG  78  -3.388 -10.373   0.577
  178   1HH1  ARG  78          1HH1      ARG  78  -3.815  -9.853  -2.926
  179   2HH1  ARG  78          2HH1      ARG  78  -2.142 -10.082  -3.311
  180   1HH2  ARG  78          1HH2      ARG  78  -1.123 -10.684   0.045
  181   2HH2  ARG  78          2HH2      ARG  78  -0.590 -10.559  -1.598
  182    HA   PRO  79           HA       PRO  79  -7.056  -7.734  -1.006
  183   1HB   PRO  79          2HB       PRO  79  -9.351  -5.820  -1.543
  184   2HB   PRO  79          1HB       PRO  79  -9.008  -7.399  -2.361
  185   1HG   PRO  79          2HG       PRO  79 -11.031  -7.203  -0.514
  186   2HG   PRO  79          1HG       PRO  79  -9.921  -8.642  -0.501
  187   1HD   PRO  79          2HD       PRO  79  -9.772  -6.135   1.268
  188   2HD   PRO  79          1HD       PRO  79  -9.603  -7.891   1.739
  189    H    HIS  80           H        HIS  80  -8.098  -4.599   0.453
  190    HA   HIS  80           HA       HIS  80  -6.211  -3.238  -1.302
  191   1HB   HIS  80          2HB       HIS  80  -7.500  -1.165  -0.208
  192   2HB   HIS  80          1HB       HIS  80  -8.223  -2.094  -1.570
  193    HD1  HIS  80           HD1      HIS  80  -8.629  -1.843   2.248
  194    HD2  HIS  80           HD2      HIS  80 -10.562  -3.425  -1.122
  195    HE1  HIS  80           HE1      HIS  80 -10.932  -2.681   2.972
  196    H    CYS  81           H        CYS  81  -4.643  -1.872  -0.491
  197    HA   CYS  81           HA       CYS  81  -3.575  -2.519   2.010
  198   1HB   CYS  81          2HB       CYS  81  -3.045  -0.045   0.273
  199   2HB   CYS  81          1HB       CYS  81  -1.900  -0.786   1.432
  200    H    GLN  82           H        GLN  82  -2.638  -0.498   3.213
  201    HA   GLN  82           HA       GLN  82  -4.864   0.904   4.375
  202   1HB   GLN  82          2HB       GLN  82  -2.364   0.055   5.283
  203   2HB   GLN  82          1HB       GLN  82  -2.265   1.850   5.187
  204   1HG   GLN  82          2HG       GLN  82  -4.169   2.130   6.700
  205   2HG   GLN  82          1HG       GLN  82  -4.584   0.373   6.587
  206   1HE2  GLN  82          2HE2      GLN  82  -1.882  -0.820   8.633
  207   2HE2  GLN  82          1HE2      GLN  82  -2.874  -1.216   7.268
  208    H    GLN  83           H        GLN  83  -2.625   1.365   1.819
  209    HA   GLN  83           HA       GLN  83  -2.551   4.186   1.891
  210   1HB   GLN  83          2HB       GLN  83  -0.885   2.502   0.896
  211   2HB   GLN  83          1HB       GLN  83  -1.969   2.427  -0.529
  212   1HG   GLN  83          2HG       GLN  83  -0.255   4.031  -1.064
  213   2HG   GLN  83          1HG       GLN  83  -1.709   5.028  -0.679
  214   1HE2  GLN  83          2HE2      GLN  83   1.436   4.693   2.120
  215   2HE2  GLN  83          1HE2      GLN  83   1.020   3.353   1.104
  216    H    CYS  84           H        CYS  84  -4.083   1.648  -0.333
  217    HA   CYS  84           HA       CYS  84  -5.595   3.285  -1.670
  218   1HB   CYS  84          2HB       CYS  84  -5.759   0.276  -1.107
  219   2HB   CYS  84          1HB       CYS  84  -6.422   1.103  -2.554
  220    H    THR  85           H        THR  85  -6.453   1.821   1.504
  221    HA   THR  85           HA       THR  85  -9.232   2.206   0.987
  222    HB   THR  85           HB       THR  85  -8.041   2.291   3.778
  223    HG1  THR  85           HG1      THR  85  -7.225   0.497   2.756
  224   1HG2  THR  85          3HG2      THR  85 -10.707   1.253   2.565
  225   2HG2  THR  85          1HG2      THR  85 -10.236   1.175   4.305
  226   3HG2  THR  85          2HG2      THR  85 -10.535   2.769   3.531
  227    H    LYS  86           H        LYS  86  -6.526   4.129   2.276
  228    HA   LYS  86           HA       LYS  86  -8.074   6.148   3.392
  229   1HB   LYS  86          2HB       LYS  86  -5.725   5.531   3.989
  230   2HB   LYS  86          1HB       LYS  86  -5.282   6.480   2.530
  231   1HG   LYS  86          2HG       LYS  86  -6.335   8.521   3.497
  232   2HG   LYS  86          1HG       LYS  86  -6.911   7.570   4.910
  233   1HD   LYS  86          2HD       LYS  86  -3.952   8.050   4.169
  234   2HD   LYS  86          1HD       LYS  86  -4.904   9.011   5.356
  235   1HE   LYS  86          2HE       LYS  86  -5.264   6.937   6.750
  236   2HE   LYS  86          1HE       LYS  86  -4.202   6.010   5.610
  237   1HZ   LYS  86          2HZ       LYS  86  -2.436   7.579   6.092
  238   2HZ   LYS  86          3HZ       LYS  86  -3.435   8.412   7.184
  239   3HZ   LYS  86          1HZ       LYS  86  -2.992   6.804   7.498
  240    H    THR  87           H        THR  87  -6.474   5.836   0.132
  241    HA   THR  87           HA       THR  87  -7.316   8.527  -0.419
  242    HB   THR  87           HB       THR  87  -5.123   7.882  -1.182
  243    HG1  THR  87           HG1      THR  87  -5.480   8.490  -3.366
  244   1HG2  THR  87          1HG2      THR  87  -5.648   5.425  -1.661
  245   2HG2  THR  87          2HG2      THR  87  -6.548   5.948  -3.130
  246   3HG2  THR  87          3HG2      THR  87  -4.789   6.272  -2.996
  247    H    GLY  88           H        GLY  88  -8.412   5.197  -1.077
  248   1HA   GLY  88          1HA       GLY  88 -10.471   4.628  -1.741
  249   2HA   GLY  88          2HA       GLY  88 -10.803   6.336  -2.253
  250    H    VAL  89           H        VAL  89  -8.582   3.611  -2.914
  251    HA   VAL  89           HA       VAL  89  -9.163   3.675  -5.694
  252    HB   VAL  89           HB       VAL  89  -7.307   5.226  -5.069
  253   1HG1  VAL  89          2HG1      VAL  89  -6.134   3.285  -3.531
  254   2HG1  VAL  89          3HG1      VAL  89  -5.778   2.563  -5.159
  255   3HG1  VAL  89          1HG1      VAL  89  -4.968   4.105  -4.626
  256   1HG2  VAL  89          2HG2      VAL  89  -7.385   5.161  -7.266
  257   2HG2  VAL  89          3HG2      VAL  89  -5.749   5.377  -6.592
  258   3HG2  VAL  89          1HG2      VAL  89  -6.154   3.807  -7.295
  259    H    ALA  90           H        ALA  90  -9.957   2.366  -3.298
  260    HA   ALA  90           HA       ALA  90  -8.250   0.129  -2.784
  261   1HB   ALA  90          2HB       ALA  90 -11.258   0.484  -2.297
  262   2HB   ALA  90          3HB       ALA  90 -10.272  -0.933  -1.774
  263   3HB   ALA  90          1HB       ALA  90  -9.940   0.712  -1.062
  264    H    HIS  91           H        HIS  91 -10.981   0.977  -4.808
  265    HA   HIS  91           HA       HIS  91 -11.500  -1.506  -5.985
  266   1HB   HIS  91          2HB       HIS  91 -12.230  -0.034  -7.909
  267   2HB   HIS  91          1HB       HIS  91 -13.127   0.128  -6.320
  268    HD1  HIS  91           HD1      HIS  91 -10.970   2.495  -5.344
  269    HD2  HIS  91           HD2      HIS  91 -13.310   2.271  -8.813
  270    HE1  HIS  91           HE1      HIS  91 -11.251   4.860  -6.283
  271    H    LEU  92           H        LEU  92  -9.061   1.027  -6.440
  272    HA   LEU  92           HA       LEU  92  -8.417  -0.055  -9.001
  273   1HB   LEU  92          1HB       LEU  92  -7.110   2.054  -7.219
  274   2HB   LEU  92          2HB       LEU  92  -6.616   1.881  -8.868
  275    HG   LEU  92           HG       LEU  92  -8.621   3.590  -7.674
  276   1HD1  LEU  92          1HD1      LEU  92  -6.785   4.227  -9.347
  277   2HD1  LEU  92          2HD1      LEU  92  -7.723   3.409 -10.644
  278   3HD1  LEU  92          3HD1      LEU  92  -8.433   4.828  -9.777
  279   1HD2  LEU  92          1HD2      LEU  92  -9.535   1.917 -10.188
  280   2HD2  LEU  92          2HD2      LEU  92 -10.344   1.884  -8.591
  281   3HD2  LEU  92          3HD2      LEU  92 -10.379   3.389  -9.575
  282    H    CYS  93           H        CYS  93  -7.940  -0.938  -6.002
  283    HA   CYS  93           HA       CYS  93  -5.068  -1.125  -6.005
  284   1HB   CYS  93          1HB       CYS  93  -6.193  -0.933  -3.846
  285   2HB   CYS  93          2HB       CYS  93  -7.067  -2.482  -4.136
  286    H    HIS  94           H        HIS  94  -3.923  -2.449  -7.160
  287    HA   HIS  94           HA       HIS  94  -4.619  -5.265  -7.046
  288   1HB   HIS  94          2HB       HIS  94  -3.701  -3.867  -9.638
  289   2HB   HIS  94          1HB       HIS  94  -3.964  -5.637  -9.418
  290    HD1  HIS  94           HD1      HIS  94  -6.658  -6.227  -8.852
  291    HD2  HIS  94           HD2      HIS  94  -5.880  -2.465 -10.537
  292    HE1  HIS  94           HE1      HIS  94  -8.860  -5.287  -9.752
  293    H    TYR  95           H        TYR  95  -2.705  -6.479  -6.806
  294    HA   TYR  95           HA       TYR  95  -0.305  -4.838  -6.609
  295   1HB   TYR  95          1HB       TYR  95  -0.489  -7.815  -5.919
  296   2HB   TYR  95          2HB       TYR  95   0.860  -6.631  -5.587
  297    HD1  TYR  95           HD1      TYR  95   0.531  -4.880  -3.682
  298    HD2  TYR  95           HD2      TYR  95  -2.507  -7.768  -4.712
  299    HE1  TYR  95           HE1      TYR  95  -0.795  -4.059  -2.048
  300    HE2  TYR  95           HE2      TYR  95  -3.805  -7.012  -2.764
  301    HH   TYR  95           HH       TYR  95  -3.975  -5.584  -1.115
  302    H    MET  96           H        MET  96   1.225  -4.927  -8.092
  303    HA   MET  96           HA       MET  96   0.687  -6.626 -10.428
  304   1HB   MET  96          1HB       MET  96   1.553  -3.807 -10.355
  305   2HB   MET  96          2HB       MET  96   1.640  -4.819 -11.834
  306   1HG   MET  96          2HG       MET  96  -0.860  -5.252 -11.576
  307   2HG   MET  96          1HG       MET  96  -0.896  -3.984 -10.309
  308   1HE   MET  96          1HE       MET  96  -2.792  -2.958 -11.639
  309   2HE   MET  96          2HE       MET  96  -2.731  -2.431 -13.356
  310   3HE   MET  96          3HE       MET  96  -2.643  -4.180 -12.947
  311    H    GLU  97           H        GLU  97   2.591  -7.059 -11.777
  312    HA   GLU  97           HA       GLU  97   4.917  -7.500 -10.203
  313   1HB   GLU  97          1HB       GLU  97   5.955  -8.388 -12.246
  314   2HB   GLU  97          2HB       GLU  97   4.324  -9.101 -11.992
  315   1HG   GLU  97          2HG       GLU  97   3.397  -7.425 -13.693
  316   2HG   GLU  97          1HG       GLU  97   5.107  -6.962 -14.080
  317    H    GLN  98           H        GLN  98   6.889  -6.392 -10.313
  318    HA   GLN  98           HA       GLN  98   6.531  -3.675 -11.261
  319   1HB   GLN  98          2HB       GLN  98   8.660  -4.912  -9.444
  320   2HB   GLN  98          1HB       GLN  98   8.570  -3.174  -9.916
  321   1HG   GLN  98          2HG       GLN  98   6.300  -3.009  -8.831
  322   2HG   GLN  98          1HG       GLN  98   6.401  -4.745  -8.345
  323   1HE2  GLN  98          2HE2      GLN  98   8.892  -1.878  -6.568
  324   2HE2  GLN  98          1HE2      GLN  98   8.250  -1.621  -8.156
  325    H    THR  99           H        THR  99   6.661  -4.288 -13.497
  326    HA   THR  99           HA       THR  99   9.368  -4.868 -14.428
  327    HB   THR  99           HB       THR  99   6.736  -6.019 -15.517
  328    HG1  THR  99           HG1      THR  99   7.273  -6.921 -13.543
  329   1HG2  THR  99          3HG2      THR  99   9.703  -6.651 -16.161
  330   2HG2  THR  99          1HG2      THR  99   8.271  -7.561 -16.780
  331   3HG2  THR  99          2HG2      THR  99   8.526  -5.857 -17.282
  332    H    TRP 100           H        TRP 100   6.237  -3.320 -14.481
  333    HA   TRP 100           HA       TRP 100   6.295  -2.605 -17.173
  334   1HB   TRP 100          2HB       TRP 100   4.682  -1.209 -14.984
  335   2HB   TRP 100          1HB       TRP 100   4.275  -1.333 -16.736
  336    HD1  TRP 100           HD1      TRP 100   3.233  -2.792 -13.537
  337    HE1  TRP 100           HE1      TRP 100   2.206  -5.125 -13.811
  338    HE3  TRP 100           HE3      TRP 100   4.723  -3.733 -18.301
  339    HZ2  TRP 100           HZ2      TRP 100   1.977  -7.068 -15.843
  340    HZ3  TRP 100           HZ3      TRP 100   4.097  -5.860 -19.341
  341    HH2  TRP 100           HH2      TRP 100   2.747  -7.504 -18.134
   
  No H/Q in entry =         341
  Start of MODEL   13
    1   1H    ILE  60          2H        ILE  60  11.496  -9.274  -7.118
    2   2H    ILE  60          3H        ILE  60  10.213  -9.402  -8.224
    3   3H    ILE  60          1H        ILE  60  11.713  -8.786  -8.731
    4    HA   ILE  60           HA       ILE  60  11.489  -6.941  -7.316
    5    HB   ILE  60           HB       ILE  60   9.914  -7.638  -9.587
    6   1HG1  ILE  60          2HG1      ILE  60  10.451  -5.280 -10.282
    7   2HG1  ILE  60          1HG1      ILE  60  11.140  -4.982  -8.652
    8   1HG2  ILE  60          2HG2      ILE  60   7.846  -6.990  -8.316
    9   2HG2  ILE  60          3HG2      ILE  60   8.614  -5.397  -7.896
   10   3HG2  ILE  60          1HG2      ILE  60   8.234  -5.808  -9.596
   11   1HD1  ILE  60          3HD1      ILE  60  12.135  -7.124 -10.656
   12   2HD1  ILE  60          1HD1      ILE  60  12.896  -5.511 -10.383
   13   3HD1  ILE  60          2HD1      ILE  60  12.892  -6.734  -9.063
   14    HA   PRO  61           HA       PRO  61   8.715  -7.753  -3.935
   15   1HB   PRO  61          2HB       PRO  61   8.409  -5.218  -2.801
   16   2HB   PRO  61          1HB       PRO  61   9.943  -6.172  -2.656
   17   1HG   PRO  61          2HG       PRO  61   9.294  -3.934  -4.641
   18   2HG   PRO  61          1HG       PRO  61  10.809  -4.181  -3.676
   19   1HD   PRO  61          2HD       PRO  61  10.561  -4.988  -6.329
   20   2HD   PRO  61          1HD       PRO  61  11.534  -5.959  -5.127
   21    H    LEU  62           H        LEU  62   6.433  -7.910  -3.745
   22    HA   LEU  62           HA       LEU  62   4.841  -6.923  -5.764
   23   1HB   LEU  62          2HB       LEU  62   4.474  -8.168  -3.019
   24   2HB   LEU  62          1HB       LEU  62   3.041  -7.441  -3.820
   25    HG   LEU  62           HG       LEU  62   3.502  -9.936  -4.057
   26   1HD1  LEU  62          2HD1      LEU  62   2.838  -8.148  -6.475
   27   2HD1  LEU  62          3HD1      LEU  62   2.503  -9.926  -6.420
   28   3HD1  LEU  62          1HD1      LEU  62   1.700  -8.814  -5.248
   29   1HD2  LEU  62          3HD2      LEU  62   5.870  -9.932  -4.777
   30   2HD2  LEU  62          1HD2      LEU  62   4.803 -10.770  -5.963
   31   3HD2  LEU  62          2HD2      LEU  62   5.410  -9.118  -6.324
   32    H    SER  63           H        SER  63   3.557  -5.273  -5.993
   33    HA   SER  63           HA       SER  63   3.137  -3.434  -3.865
   34   1HB   SER  63          1HB       SER  63   4.268  -1.471  -5.043
   35   2HB   SER  63          2HB       SER  63   5.467  -2.701  -4.490
   36    HG   SER  63           HG       SER  63   5.762  -2.051  -6.643
   37    H    CYS  64           H        CYS  64   1.783  -1.613  -4.529
   38    HA   CYS  64           HA       CYS  64  -0.018  -2.537  -6.552
   39   1HB   CYS  64          1HB       CYS  64  -0.060  -0.142  -4.694
   40   2HB   CYS  64          2HB       CYS  64  -1.346  -0.360  -5.950
   41    H    THR  65           H        THR  65  -1.012  -0.698  -7.952
   42    HA   THR  65           HA       THR  65   1.115   0.029  -9.683
   43    HB   THR  65           HB       THR  65  -0.630   0.704 -11.236
   44    HG1  THR  65           HG1      THR  65  -1.979   1.655  -9.694
   45   1HG2  THR  65          1HG2      THR  65  -0.112  -1.802 -10.805
   46   2HG2  THR  65          2HG2      THR  65  -1.522  -1.854  -9.703
   47   3HG2  THR  65          3HG2      THR  65  -1.771  -1.482 -11.441
   48    H    ILE  66           H        ILE  66  -0.754   1.548  -7.136
   49    HA   ILE  66           HA       ILE  66   0.091   4.194  -8.026
   50    HB   ILE  66           HB       ILE  66  -0.917   4.193  -5.381
   51   1HG1  ILE  66          2HG1      ILE  66  -3.019   3.112  -7.341
   52   2HG1  ILE  66          1HG1      ILE  66  -2.163   2.089  -6.127
   53   1HG2  ILE  66          3HG2      ILE  66  -0.600   6.069  -6.939
   54   2HG2  ILE  66          1HG2      ILE  66  -1.880   5.420  -8.035
   55   3HG2  ILE  66          2HG2      ILE  66  -2.312   6.001  -6.377
   56   1HD1  ILE  66          1HD1      ILE  66  -2.898   3.572  -4.274
   57   2HD1  ILE  66          2HD1      ILE  66  -3.846   4.563  -5.443
   58   3HD1  ILE  66          3HD1      ILE  66  -4.277   2.829  -5.162
   59    H    CYS  67           H        CYS  67   0.621   1.651  -5.602
   60    HA   CYS  67           HA       CYS  67   1.933   3.379  -3.830
   61   1HB   CYS  67          1HB       CYS  67   2.103   0.337  -4.001
   62   2HB   CYS  67          2HB       CYS  67   2.870   1.329  -2.722
   63    H    ARG  68           H        ARG  68   3.084   1.354  -6.576
   64    HA   ARG  68           HA       ARG  68   5.794   2.060  -5.986
   65   1HB   ARG  68          2HB       ARG  68   4.924  -0.105  -7.172
   66   2HB   ARG  68          1HB       ARG  68   4.862   0.922  -8.644
   67   1HG   ARG  68          2HG       ARG  68   7.340   1.410  -8.346
   68   2HG   ARG  68          1HG       ARG  68   7.327   0.425  -6.843
   69   1HD   ARG  68          2HD       ARG  68   6.721  -1.610  -8.203
   70   2HD   ARG  68          1HD       ARG  68   6.793  -0.598  -9.715
   71    HE   ARG  68           HE       ARG  68   9.227  -0.166  -8.299
   72   1HH1  ARG  68          1HH1      ARG  68   7.424  -2.838  -9.822
   73   2HH1  ARG  68          2HH1      ARG  68   8.835  -3.760 -10.222
   74   1HH2  ARG  68          1HH2      ARG  68  11.142  -1.422  -8.848
   75   2HH2  ARG  68          2HH2      ARG  68  10.979  -2.943  -9.661
   76    H    LYS  69           H        LYS  69   3.113   3.633  -7.578
   77    HA   LYS  69           HA       LYS  69   4.629   4.947  -9.571
   78   1HB   LYS  69          2HB       LYS  69   2.155   4.662  -9.746
   79   2HB   LYS  69          1HB       LYS  69   1.936   5.719  -8.313
   80   1HG   LYS  69          2HG       LYS  69   2.849   7.659  -9.579
   81   2HG   LYS  69          1HG       LYS  69   3.202   6.582 -10.980
   82   1HD   LYS  69          2HD       LYS  69   0.765   6.111 -11.229
   83   2HD   LYS  69          1HD       LYS  69   0.416   7.072  -9.748
   84   1HE   LYS  69          2HE       LYS  69  -0.092   8.400 -11.800
   85   2HE   LYS  69          1HE       LYS  69   1.285   9.148 -10.889
   86   1HZ   LYS  69          1HZ       LYS  69   2.800   8.045 -12.394
   87   2HZ   LYS  69          2HZ       LYS  69   1.503   7.373 -13.262
   88   3HZ   LYS  69          3HZ       LYS  69   1.718   9.058 -13.224
   89    H    ARG  70           H        ARG  70   3.269   5.946  -6.314
   90    HA   ARG  70           HA       ARG  70   4.655   8.399  -6.519
   91   1HB   ARG  70          2HB       ARG  70   3.598   7.314  -3.901
   92   2HB   ARG  70          1HB       ARG  70   3.684   9.015  -4.459
   93   1HG   ARG  70          2HG       ARG  70   1.724   6.826  -5.404
   94   2HG   ARG  70          1HG       ARG  70   1.366   8.180  -4.323
   95   1HD   ARG  70          2HD       ARG  70   1.771   9.797  -6.227
   96   2HD   ARG  70          1HD       ARG  70   2.067   8.386  -7.333
   97    HE   ARG  70           HE       ARG  70  -0.429   8.026  -5.940
   98   1HH1  ARG  70          1HH1      ARG  70   1.152  10.073  -8.397
   99   2HH1  ARG  70          2HH1      ARG  70  -0.308  10.418  -9.258
  100   1HH2  ARG  70          1HH2      ARG  70  -2.412   8.505  -7.121
  101   2HH2  ARG  70          2HH2      ARG  70  -2.360   9.518  -8.525
  102    H    LYS  71           H        LYS  71   5.236   5.174  -5.196
  103    HA   LYS  71           HA       LYS  71   7.008   4.197  -4.580
  104   1HB   LYS  71          2HB       LYS  71   8.380   5.903  -6.007
  105   2HB   LYS  71          1HB       LYS  71   8.729   6.712  -4.452
  106   1HG   LYS  71          2HG       LYS  71  10.599   5.271  -4.915
  107   2HG   LYS  71          1HG       LYS  71   9.668   4.506  -3.590
  108   1HD   LYS  71          2HD       LYS  71  10.224   2.703  -4.902
  109   2HD   LYS  71          1HD       LYS  71   8.565   3.029  -5.499
  110   1HE   LYS  71          2HE       LYS  71  11.180   3.985  -6.869
  111   2HE   LYS  71          1HE       LYS  71  10.277   2.479  -7.304
  112   1HZ   LYS  71          2HZ       LYS  71   9.192   5.239  -7.440
  113   2HZ   LYS  71          3HZ       LYS  71   9.765   4.318  -8.747
  114   3HZ   LYS  71          1HZ       LYS  71   8.392   3.809  -7.888
  115    H    VAL  72           H        VAL  72   5.217   4.365  -2.935
  116    HA   VAL  72           HA       VAL  72   6.280   5.291  -0.399
  117    HB   VAL  72           HB       VAL  72   3.754   5.164   0.198
  118   1HG1  VAL  72          1HG1      VAL  72   5.086   7.282   0.132
  119   2HG1  VAL  72          2HG1      VAL  72   4.779   7.430  -1.641
  120   3HG1  VAL  72          3HG1      VAL  72   3.409   7.549  -0.476
  121   1HG2  VAL  72          3HG2      VAL  72   3.497   5.436  -2.882
  122   2HG2  VAL  72          1HG2      VAL  72   2.916   4.063  -1.865
  123   3HG2  VAL  72          2HG2      VAL  72   2.198   5.701  -1.691
  124    H    LYS  73           H        LYS  73   5.320   3.698   1.293
  125    HA   LYS  73           HA       LYS  73   6.010   1.136   0.244
  126   1HB   LYS  73          2HB       LYS  73   5.208   2.101   3.023
  127   2HB   LYS  73          1HB       LYS  73   5.429   0.353   2.655
  128   1HG   LYS  73          2HG       LYS  73   7.597   2.449   2.099
  129   2HG   LYS  73          1HG       LYS  73   7.443   1.580   3.673
  130   1HD   LYS  73          2HD       LYS  73   7.733  -0.606   2.508
  131   2HD   LYS  73          1HD       LYS  73   7.849   0.234   0.923
  132   1HE   LYS  73          2HE       LYS  73  10.110  -0.374   1.738
  133   2HE   LYS  73          1HE       LYS  73   9.926   1.430   1.706
  134   1HZ   LYS  73          1HZ       LYS  73   9.443   1.352   4.065
  135   2HZ   LYS  73          2HZ       LYS  73   9.646  -0.333   4.085
  136   3HZ   LYS  73          3HZ       LYS  73  10.960   0.676   3.716
  137    H    CYS  74           H        CYS  74   4.767  -0.143  -0.742
  138    HA   CYS  74           HA       CYS  74   1.967  -0.255  -0.463
  139   1HB   CYS  74          1HB       CYS  74   3.376  -1.136  -2.443
  140   2HB   CYS  74          2HB       CYS  74   3.871  -2.484  -1.367
  141    H    ASP  75           H        ASP  75   0.840  -2.354   0.349
  142    HA   ASP  75           HA       ASP  75   2.086  -2.775   3.010
  143   1HB   ASP  75          2HB       ASP  75  -0.897  -2.502   2.308
  144   2HB   ASP  75          1HB       ASP  75  -0.248  -3.116   3.876
  145    H    LYS  76           H        LYS  76  -0.311  -3.940   0.658
  146    HA   LYS  76           HA       LYS  76  -0.764  -5.867  -0.195
  147   1HB   LYS  76          1HB       LYS  76   1.931  -6.177  -0.041
  148   2HB   LYS  76          2HB       LYS  76   1.433  -7.518   1.031
  149   1HG   LYS  76          2HG       LYS  76   0.625  -7.001  -1.910
  150   2HG   LYS  76          1HG       LYS  76   1.838  -8.184  -1.325
  151   1HD   LYS  76          2HD       LYS  76   0.000  -9.462  -0.160
  152   2HD   LYS  76          1HD       LYS  76  -1.201  -8.287  -0.808
  153   1HE   LYS  76          2HE       LYS  76  -1.182 -10.324  -2.210
  154   2HE   LYS  76          1HE       LYS  76  -0.523  -8.934  -3.165
  155   1HZ   LYS  76          2HZ       LYS  76   1.694  -9.701  -2.635
  156   2HZ   LYS  76          3HZ       LYS  76   1.067 -11.012  -1.758
  157   3HZ   LYS  76          1HZ       LYS  76   0.792 -10.902  -3.430
  158    H    LEU  77           H        LEU  77  -1.895  -4.859   2.124
  159    HA   LEU  77           HA       LEU  77  -2.280  -7.221   3.775
  160   1HB   LEU  77          2HB       LEU  77  -3.133  -5.870   5.488
  161   2HB   LEU  77          1HB       LEU  77  -1.850  -4.846   4.748
  162    HG   LEU  77           HG       LEU  77  -3.911  -3.862   3.349
  163   1HD1  LEU  77          3HD1      LEU  77  -5.123  -4.515   6.111
  164   2HD1  LEU  77          1HD1      LEU  77  -5.796  -3.399   4.867
  165   3HD1  LEU  77          2HD1      LEU  77  -5.736  -5.178   4.535
  166   1HD2  LEU  77          1HD2      LEU  77  -3.046  -3.132   6.208
  167   2HD2  LEU  77          2HD2      LEU  77  -2.262  -2.604   4.672
  168   3HD2  LEU  77          3HD2      LEU  77  -3.936  -2.061   5.065
  169    H    ARG  78           H        ARG  78  -4.370  -8.272   3.776
  170    HA   ARG  78           HA       ARG  78  -5.557  -7.899   1.226
  171   1HB   ARG  78          1HB       ARG  78  -5.996  -9.893   3.505
  172   2HB   ARG  78          2HB       ARG  78  -6.943  -9.922   1.991
  173   1HG   ARG  78          2HG       ARG  78  -3.886 -10.291   2.256
  174   2HG   ARG  78          1HG       ARG  78  -5.096 -11.585   1.958
  175   1HD   ARG  78          2HD       ARG  78  -4.404  -9.273   0.019
  176   2HD   ARG  78          1HD       ARG  78  -3.956 -11.021  -0.167
  177    HE   ARG  78           HE       ARG  78  -6.718 -11.099   0.124
  178   1HH1  ARG  78          1HH1      ARG  78  -4.487  -9.272  -1.983
  179   2HH1  ARG  78          2HH1      ARG  78  -5.620  -9.119  -3.285
  180   1HH2  ARG  78          1HH2      ARG  78  -8.237 -10.881  -1.642
  181   2HH2  ARG  78          2HH2      ARG  78  -7.781 -10.045  -3.087
  182    HA   PRO  79           HA       PRO  79  -7.539  -8.065   0.184
  183   1HB   PRO  79          1HB       PRO  79  -9.570  -6.436  -0.827
  184   2HB   PRO  79          2HB       PRO  79  -9.865  -8.021  -0.004
  185   1HG   PRO  79          2HG       PRO  79 -10.087  -5.214   1.168
  186   2HG   PRO  79          1HG       PRO  79 -11.172  -6.642   1.431
  187   1HD   PRO  79          2HD       PRO  79  -9.147  -5.870   3.222
  188   2HD   PRO  79          1HD       PRO  79  -9.641  -7.611   3.000
  189    H    HIS  80           H        HIS  80  -8.052  -4.570   1.139
  190    HA   HIS  80           HA       HIS  80  -6.125  -3.877  -0.953
  191   1HB   HIS  80          1HB       HIS  80  -8.309  -2.114   0.275
  192   2HB   HIS  80          2HB       HIS  80  -7.302  -1.729  -1.170
  193    HD1  HIS  80           HD1      HIS  80  -7.737  -3.780  -3.179
  194    HD2  HIS  80           HD2      HIS  80 -10.742  -3.148  -0.321
  195    HE1  HIS  80           HE1      HIS  80  -9.905  -4.800  -4.067
  196    H    CYS  81           H        CYS  81  -4.835  -1.813  -0.386
  197    HA   CYS  81           HA       CYS  81  -3.592  -2.361   2.045
  198   1HB   CYS  81          2HB       CYS  81  -3.196   0.143   0.366
  199   2HB   CYS  81          1HB       CYS  81  -1.994  -0.682   1.401
  200    H    GLN  82           H        GLN  82  -2.763  -0.458   3.309
  201    HA   GLN  82           HA       GLN  82  -4.891   1.038   4.462
  202   1HB   GLN  82          2HB       GLN  82  -1.915   1.712   4.718
  203   2HB   GLN  82          1HB       GLN  82  -3.259   2.327   5.752
  204   1HG   GLN  82          2HG       GLN  82  -3.771  -0.122   6.367
  205   2HG   GLN  82          1HG       GLN  82  -2.229  -0.549   5.519
  206   1HE2  GLN  82          2HE2      GLN  82  -1.443  -0.385   9.098
  207   2HE2  GLN  82          1HE2      GLN  82  -2.413  -1.334   8.011
  208    H    GLN  83           H        GLN  83  -2.973   1.611   1.617
  209    HA   GLN  83           HA       GLN  83  -3.245   4.444   1.713
  210   1HB   GLN  83          2HB       GLN  83  -1.373   3.221   0.587
  211   2HB   GLN  83          1HB       GLN  83  -2.511   2.637  -0.663
  212   1HG   GLN  83          2HG       GLN  83  -2.879   4.932  -1.494
  213   2HG   GLN  83          1HG       GLN  83  -2.067   5.633  -0.035
  214   1HE2  GLN  83          2HE2      GLN  83   0.157   4.796  -3.263
  215   2HE2  GLN  83          1HE2      GLN  83  -1.558   5.049  -3.253
  216    H    CYS  84           H        CYS  84  -4.516   1.986  -0.715
  217    HA   CYS  84           HA       CYS  84  -6.374   3.352  -1.791
  218   1HB   CYS  84          1HB       CYS  84  -6.311   0.441  -1.394
  219   2HB   CYS  84          2HB       CYS  84  -6.858   1.319  -2.837
  220    H    THR  85           H        THR  85  -6.760   1.492   1.250
  221    HA   THR  85           HA       THR  85  -9.608   1.557   1.021
  222    HB   THR  85           HB       THR  85  -7.847   1.046   3.459
  223    HG1  THR  85           HG1      THR  85  -7.736  -0.407   1.699
  224   1HG2  THR  85          2HG2      THR  85 -10.893   0.695   2.989
  225   2HG2  THR  85          3HG2      THR  85  -9.977  -0.092   4.325
  226   3HG2  THR  85          1HG2      THR  85 -10.109   1.692   4.278
  227    H    LYS  86           H        LYS  86  -7.060   3.572   2.506
  228    HA   LYS  86           HA       LYS  86  -8.773   5.109   4.061
  229   1HB   LYS  86          1HB       LYS  86  -6.405   4.796   4.530
  230   2HB   LYS  86          2HB       LYS  86  -6.086   5.825   3.096
  231   1HG   LYS  86          2HG       LYS  86  -7.224   7.757   4.248
  232   2HG   LYS  86          1HG       LYS  86  -7.616   6.670   5.630
  233   1HD   LYS  86          2HD       LYS  86  -5.149   6.304   5.998
  234   2HD   LYS  86          1HD       LYS  86  -4.796   7.452   4.657
  235   1HE   LYS  86          2HE       LYS  86  -6.302   8.164   7.269
  236   2HE   LYS  86          1HE       LYS  86  -4.578   8.567   6.886
  237   1HZ   LYS  86          1HZ       LYS  86  -5.350   9.838   5.004
  238   2HZ   LYS  86          2HZ       LYS  86  -6.967   9.466   5.367
  239   3HZ   LYS  86          3HZ       LYS  86  -6.045  10.396   6.449
  240    H    THR  87           H        THR  87  -7.424   5.639   0.677
  241    HA   THR  87           HA       THR  87  -8.619   8.257   0.832
  242    HB   THR  87           HB       THR  87  -6.330   8.115   0.049
  243    HG1  THR  87           HG1      THR  87  -8.241   8.852  -1.908
  244   1HG2  THR  87          3HG2      THR  87  -6.584   5.827  -1.135
  245   2HG2  THR  87          1HG2      THR  87  -7.474   6.697  -2.434
  246   3HG2  THR  87          2HG2      THR  87  -5.764   7.107  -2.100
  247    H    GLY  88           H        GLY  88  -9.257   5.026  -0.435
  248   1HA   GLY  88          1HA       GLY  88 -11.307   4.364  -1.032
  249   2HA   GLY  88          2HA       GLY  88 -11.799   6.082  -1.339
  250    H    VAL  89           H        VAL  89  -9.048   4.044  -2.380
  251    HA   VAL  89           HA       VAL  89  -9.910   4.348  -5.110
  252    HB   VAL  89           HB       VAL  89  -8.094   5.870  -4.107
  253   1HG1  VAL  89          2HG1      VAL  89  -6.421   4.297  -3.461
  254   2HG1  VAL  89          3HG1      VAL  89  -6.219   3.857  -5.200
  255   3HG1  VAL  89          1HG1      VAL  89  -5.847   5.527  -4.631
  256   1HG2  VAL  89          1HG2      VAL  89  -8.682   5.487  -6.912
  257   2HG2  VAL  89          2HG2      VAL  89  -9.269   6.643  -5.694
  258   3HG2  VAL  89          3HG2      VAL  89  -7.559   6.734  -6.233
  259    H    ALA  90           H        ALA  90 -10.538   2.224  -3.456
  260    HA   ALA  90           HA       ALA  90  -8.483   0.299  -3.416
  261   1HB   ALA  90          1HB       ALA  90 -11.522  -0.051  -3.124
  262   2HB   ALA  90          3HB       ALA  90 -10.280  -1.318  -2.796
  263   3HB   ALA  90          2HB       ALA  90 -10.337   0.172  -1.775
  264    H    HIS  91           H        HIS  91 -10.688   1.433  -5.842
  265    HA   HIS  91           HA       HIS  91 -10.745  -0.846  -7.494
  266   1HB   HIS  91          2HB       HIS  91 -11.030   0.778  -9.355
  267   2HB   HIS  91          1HB       HIS  91 -12.304   0.882  -8.059
  268    HD1  HIS  91           HD1      HIS  91 -11.065   3.076  -6.242
  269    HD2  HIS  91           HD2      HIS  91 -10.911   3.155 -10.427
  270    HE1  HIS  91           HE1      HIS  91 -10.757   5.506  -6.995
  271    H    LEU  92           H        LEU  92  -8.490   1.802  -6.992
  272    HA   LEU  92           HA       LEU  92  -6.823   0.975  -9.123
  273   1HB   LEU  92          2HB       LEU  92  -5.641   2.458  -6.741
  274   2HB   LEU  92          1HB       LEU  92  -5.156   2.584  -8.458
  275    HG   LEU  92           HG       LEU  92  -7.403   4.026  -6.937
  276   1HD1  LEU  92          1HD1      LEU  92  -5.201   5.107  -7.087
  277   2HD1  LEU  92          2HD1      LEU  92  -5.197   4.955  -8.888
  278   3HD1  LEU  92          3HD1      LEU  92  -6.439   5.985  -8.066
  279   1HD2  LEU  92          1HD2      LEU  92  -7.104   3.646 -10.036
  280   2HD2  LEU  92          2HD2      LEU  92  -8.496   3.096  -9.039
  281   3HD2  LEU  92          3HD2      LEU  92  -8.183   4.860  -9.249
  282    H    CYS  93           H        CYS  93  -7.433  -0.385  -6.360
  283    HA   CYS  93           HA       CYS  93  -4.695  -1.002  -5.576
  284   1HB   CYS  93          1HB       CYS  93  -6.509  -0.712  -3.840
  285   2HB   CYS  93          2HB       CYS  93  -7.213  -2.263  -4.390
  286    H    HIS  94           H        HIS  94  -3.681  -2.278  -7.063
  287    HA   HIS  94           HA       HIS  94  -4.537  -5.014  -6.922
  288   1HB   HIS  94          2HB       HIS  94  -3.741  -3.760  -9.630
  289   2HB   HIS  94          1HB       HIS  94  -4.043  -5.503  -9.286
  290    HD1  HIS  94           HD1      HIS  94  -5.818  -2.204  -9.920
  291    HD2  HIS  94           HD2      HIS  94  -6.839  -6.202  -9.158
  292    HE1  HIS  94           HE1      HIS  94  -8.309  -2.495 -10.407
  293    H    TYR  95           H        TYR  95  -2.692  -6.252  -6.682
  294    HA   TYR  95           HA       TYR  95  -0.206  -4.734  -6.776
  295   1HB   TYR  95          1HB       TYR  95  -0.470  -7.629  -5.804
  296   2HB   TYR  95          2HB       TYR  95   0.866  -6.451  -5.455
  297    HD1  TYR  95           HD1      TYR  95   0.394  -4.541  -3.699
  298    HD2  TYR  95           HD2      TYR  95  -2.455  -7.632  -4.665
  299    HE1  TYR  95           HE1      TYR  95  -0.972  -3.777  -2.032
  300    HE2  TYR  95           HE2      TYR  95  -3.786  -6.945  -2.727
  301    HH   TYR  95           HH       TYR  95  -2.865  -4.171  -0.716
  302    H    MET  96           H        MET  96   1.458  -5.410  -8.191
  303    HA   MET  96           HA       MET  96   0.647  -6.467 -10.620
  304   1HB   MET  96          1HB       MET  96   3.375  -6.207  -9.512
  305   2HB   MET  96          2HB       MET  96   3.012  -6.503 -11.242
  306   1HG   MET  96          2HG       MET  96   2.222  -3.985  -9.627
  307   2HG   MET  96          1HG       MET  96   3.616  -4.124 -10.732
  308   1HE   MET  96          3HE       MET  96   2.157  -1.813 -11.103
  309   2HE   MET  96          1HE       MET  96   3.341  -2.403 -12.318
  310   3HE   MET  96          2HE       MET  96   1.752  -1.751 -12.853
  311    H    GLU  97           H        GLU  97   0.157  -8.572 -11.092
  312    HA   GLU  97           HA       GLU  97   0.963 -10.599  -9.278
  313   1HB   GLU  97          1HB       GLU  97  -0.443 -10.761 -12.005
  314   2HB   GLU  97          2HB       GLU  97  -0.120 -12.171 -10.937
  315   1HG   GLU  97          2HG       GLU  97  -1.526 -11.103  -9.124
  316   2HG   GLU  97          1HG       GLU  97  -1.901  -9.738 -10.250
  317    H    GLN  98           H        GLN  98   2.819 -11.662  -9.279
  318    HA   GLN  98           HA       GLN  98   4.239 -11.948 -11.827
  319   1HB   GLN  98          2HB       GLN  98   5.436 -11.746  -9.007
  320   2HB   GLN  98          1HB       GLN  98   6.357 -12.007 -10.534
  321   1HG   GLN  98          2HG       GLN  98   5.574  -9.753 -11.370
  322   2HG   GLN  98          1HG       GLN  98   4.786  -9.464  -9.767
  323   1HE2  GLN  98          2HE2      GLN  98   8.756  -8.819 -10.297
  324   2HE2  GLN  98          1HE2      GLN  98   7.610  -9.056 -11.575
  325    H    THR  99           H        THR  99   2.105 -13.613 -10.658
  326    HA   THR  99           HA       THR  99   3.561 -15.943  -9.763
  327    HB   THR  99           HB       THR  99   1.480 -15.543  -8.614
  328    HG1  THR  99           HG1      THR  99   0.502 -17.512  -9.096
  329   1HG2  THR  99          1HG2      THR  99   0.283 -14.235 -10.427
  330   2HG2  THR  99          2HG2      THR  99   0.051 -15.763 -11.360
  331   3HG2  THR  99          3HG2      THR  99  -0.704 -15.572  -9.746
  332    H    TRP 100           H        TRP 100   2.127 -14.438 -12.592
  333    HA   TRP 100           HA       TRP 100   2.189 -16.813 -14.160
  334   1HB   TRP 100          1HB       TRP 100   2.089 -13.863 -15.010
  335   2HB   TRP 100          2HB       TRP 100   1.744 -15.283 -16.072
  336    HD1  TRP 100           HD1      TRP 100   0.025 -12.968 -13.534
  337    HE1  TRP 100           HE1      TRP 100  -2.408 -13.726 -13.240
  338    HE3  TRP 100           HE3      TRP 100   0.321 -17.401 -15.978
  339    HZ2  TRP 100           HZ2      TRP 100  -3.992 -15.957 -13.968
  340    HZ3  TRP 100           HZ3      TRP 100  -1.682 -18.808 -16.143
  341    HH2  TRP 100           HH2      TRP 100  -3.803 -18.098 -15.159
   
  No H/Q in entry =         341
  Start of MODEL   14
    1   1H    ILE  60          2H        ILE  60  10.466  -7.483  -3.749
    2   2H    ILE  60          3H        ILE  60  11.148  -7.527  -2.193
    3   3H    ILE  60          1H        ILE  60  11.929  -8.308  -3.486
    4    HA   ILE  60           HA       ILE  60  10.163  -9.814  -3.705
    5    HB   ILE  60           HB       ILE  60  11.425  -9.712  -1.068
    6   1HG1  ILE  60          2HG1      ILE  60  11.984 -11.286  -3.645
    7   2HG1  ILE  60          1HG1      ILE  60  12.858  -9.808  -3.122
    8   1HG2  ILE  60          2HG2      ILE  60   9.754 -11.975  -2.352
    9   2HG2  ILE  60          3HG2      ILE  60  10.853 -12.212  -0.948
   10   3HG2  ILE  60          1HG2      ILE  60   9.427 -11.165  -0.766
   11   1HD1  ILE  60          2HD1      ILE  60  13.636 -11.009  -1.042
   12   2HD1  ILE  60          3HD1      ILE  60  12.876 -12.525  -1.662
   13   3HD1  ILE  60          1HD1      ILE  60  14.222 -11.753  -2.575
   14    HA   PRO  61           HA       PRO  61   6.613  -8.542  -0.934
   15   1HB   PRO  61          2HB       PRO  61   7.452  -5.706  -0.186
   16   2HB   PRO  61          1HB       PRO  61   6.439  -6.846   0.791
   17   1HG   PRO  61          2HG       PRO  61   9.062  -6.430   1.459
   18   2HG   PRO  61          1HG       PRO  61   8.388  -8.117   1.458
   19   1HD   PRO  61          2HD       PRO  61  10.066  -6.761  -0.723
   20   2HD   PRO  61          1HD       PRO  61  10.186  -8.448  -0.037
   21    H    LEU  62           H        LEU  62   4.935  -7.877  -2.298
   22    HA   LEU  62           HA       LEU  62   5.668  -6.101  -4.455
   23   1HB   LEU  62          2HB       LEU  62   3.008  -7.502  -3.792
   24   2HB   LEU  62          1HB       LEU  62   3.264  -6.420  -5.198
   25    HG   LEU  62           HG       LEU  62   4.520  -9.174  -4.739
   26   1HD1  LEU  62          2HD1      LEU  62   2.164  -9.113  -5.550
   27   2HD1  LEU  62          3HD1      LEU  62   2.630  -7.965  -6.860
   28   3HD1  LEU  62          1HD1      LEU  62   3.263  -9.661  -6.877
   29   1HD2  LEU  62          1HD2      LEU  62   5.143  -7.110  -6.947
   30   2HD2  LEU  62          2HD2      LEU  62   6.305  -7.803  -5.752
   31   3HD2  LEU  62          3HD2      LEU  62   5.586  -8.858  -7.018
   32    H    SER  63           H        SER  63   4.468  -4.288  -5.019
   33    HA   SER  63           HA       SER  63   2.982  -3.067  -2.816
   34   1HB   SER  63          2HB       SER  63   4.680  -1.660  -4.991
   35   2HB   SER  63          1HB       SER  63   3.706  -0.814  -3.731
   36    HG   SER  63           HG       SER  63   5.903  -0.968  -3.216
   37    H    CYS  64           H        CYS  64   1.446  -1.321  -3.854
   38    HA   CYS  64           HA       CYS  64   0.035  -2.722  -5.869
   39   1HB   CYS  64          2HB       CYS  64  -0.620   0.115  -4.990
   40   2HB   CYS  64          1HB       CYS  64  -1.707  -1.233  -5.512
   41    H    THR  65           H        THR  65  -0.793  -1.340  -7.812
   42    HA   THR  65           HA       THR  65   1.522  -0.601  -9.232
   43    HB   THR  65           HB       THR  65   0.080  -1.538 -10.716
   44    HG1  THR  65           HG1      THR  65  -0.948   0.101 -11.876
   45   1HG2  THR  65          3HG2      THR  65  -2.205  -0.224  -9.092
   46   2HG2  THR  65          1HG2      THR  65  -2.440  -1.121 -10.634
   47   3HG2  THR  65          2HG2      THR  65  -1.760  -1.981  -9.215
   48    H    ILE  66           H        ILE  66  -1.102   1.241  -7.615
   49    HA   ILE  66           HA       ILE  66  -0.135   3.691  -8.704
   50    HB   ILE  66           HB       ILE  66  -1.522   4.088  -6.242
   51   1HG1  ILE  66          2HG1      ILE  66  -3.819   3.565  -7.321
   52   2HG1  ILE  66          1HG1      ILE  66  -2.966   2.377  -8.357
   53   1HG2  ILE  66          1HG2      ILE  66  -0.881   5.728  -7.980
   54   2HG2  ILE  66          2HG2      ILE  66  -1.961   4.910  -9.174
   55   3HG2  ILE  66          3HG2      ILE  66  -2.668   5.715  -7.716
   56   1HD1  ILE  66          3HD1      ILE  66  -2.868   2.426  -5.257
   57   2HD1  ILE  66          1HD1      ILE  66  -4.015   1.418  -6.211
   58   3HD1  ILE  66          2HD1      ILE  66  -2.246   1.112  -6.323
   59    H    CYS  67           H        CYS  67   0.321   1.787  -5.710
   60    HA   CYS  67           HA       CYS  67   1.460   3.860  -4.259
   61   1HB   CYS  67          2HB       CYS  67   1.530   0.938  -3.946
   62   2HB   CYS  67          1HB       CYS  67   2.229   2.055  -2.742
   63    H    ARG  68           H        ARG  68   2.786   1.620  -6.637
   64    HA   ARG  68           HA       ARG  68   5.474   2.087  -5.747
   65   1HB   ARG  68          2HB       ARG  68   4.610  -0.088  -6.799
   66   2HB   ARG  68          1HB       ARG  68   4.543   0.795  -8.361
   67   1HG   ARG  68          2HG       ARG  68   7.020   1.204  -8.211
   68   2HG   ARG  68          1HG       ARG  68   7.064   0.386  -6.612
   69   1HD   ARG  68          2HD       ARG  68   6.174  -0.945  -9.259
   70   2HD   ARG  68          1HD       ARG  68   7.839  -1.074  -8.574
   71    HE   ARG  68           HE       ARG  68   5.399  -2.457  -7.640
   72   1HH1  ARG  68          1HH1      ARG  68   8.695  -1.360  -6.785
   73   2HH1  ARG  68          2HH1      ARG  68   8.985  -2.661  -5.679
   74   1HH2  ARG  68          1HH2      ARG  68   5.821  -4.205  -6.145
   75   2HH2  ARG  68          2HH2      ARG  68   7.338  -4.293  -5.313
   76    H    LYS  69           H        LYS  69   3.056   3.605  -7.798
   77    HA   LYS  69           HA       LYS  69   4.922   4.834  -9.526
   78   1HB   LYS  69          2HB       LYS  69   2.533   4.365 -10.161
   79   2HB   LYS  69          1HB       LYS  69   2.011   5.606  -8.972
   80   1HG   LYS  69          2HG       LYS  69   1.939   6.528 -11.208
   81   2HG   LYS  69          1HG       LYS  69   3.231   7.369 -10.298
   82   1HD   LYS  69          2HD       LYS  69   4.956   5.956 -11.468
   83   2HD   LYS  69          1HD       LYS  69   3.642   5.047 -12.295
   84   1HE   LYS  69          2HE       LYS  69   4.628   6.740 -13.825
   85   2HE   LYS  69          1HE       LYS  69   2.916   7.195 -13.437
   86   1HZ   LYS  69          2HZ       LYS  69   5.364   8.288 -12.148
   87   2HZ   LYS  69          3HZ       LYS  69   4.405   9.061 -13.318
   88   3HZ   LYS  69          1HZ       LYS  69   3.761   8.718 -11.783
   89    H    ARG  70           H        ARG  70   3.017   5.859  -6.551
   90    HA   ARG  70           HA       ARG  70   4.194   8.425  -6.635
   91   1HB   ARG  70          2HB       ARG  70   3.190   7.200  -4.050
   92   2HB   ARG  70          1HB       ARG  70   3.073   8.899  -4.611
   93   1HG   ARG  70          2HG       ARG  70   1.411   6.464  -5.486
   94   2HG   ARG  70          1HG       ARG  70   0.886   7.836  -4.505
   95   1HD   ARG  70          2HD       ARG  70   1.246   9.374  -6.537
   96   2HD   ARG  70          1HD       ARG  70   1.500   7.879  -7.532
   97    HE   ARG  70           HE       ARG  70  -0.903   7.545  -6.020
   98   1HH1  ARG  70          1HH1      ARG  70   0.475   9.645  -8.551
   99   2HH1  ARG  70          2HH1      ARG  70  -1.054  10.040  -9.263
  100   1HH2  ARG  70          1HH2      ARG  70  -2.978   8.088  -6.994
  101   2HH2  ARG  70          2HH2      ARG  70  -3.044   9.144  -8.365
  102    H    LYS  71           H        LYS  71   4.827   5.295  -5.150
  103    HA   LYS  71           HA       LYS  71   6.425   4.407  -4.086
  104   1HB   LYS  71          2HB       LYS  71   8.123   5.681  -5.452
  105   2HB   LYS  71          1HB       LYS  71   8.191   6.889  -4.124
  106   1HG   LYS  71          2HG       LYS  71   8.413   4.203  -2.977
  107   2HG   LYS  71          1HG       LYS  71   9.514   4.311  -4.371
  108   1HD   LYS  71          2HD       LYS  71  10.558   6.378  -3.413
  109   2HD   LYS  71          1HD       LYS  71   9.391   6.329  -2.040
  110   1HE   LYS  71          2HE       LYS  71  11.471   4.119  -2.647
  111   2HE   LYS  71          1HE       LYS  71  11.653   5.423  -1.399
  112   1HZ   LYS  71          1HZ       LYS  71   9.667   4.607  -0.332
  113   2HZ   LYS  71          2HZ       LYS  71   9.494   3.382  -1.497
  114   3HZ   LYS  71          3HZ       LYS  71  10.839   3.384  -0.460
  115    H    VAL  72           H        VAL  72   4.830   4.309  -2.531
  116    HA   VAL  72           HA       VAL  72   5.639   5.622  -0.094
  117    HB   VAL  72           HB       VAL  72   3.172   5.043   0.553
  118   1HG1  VAL  72          3HG1      VAL  72   4.176   7.342   0.582
  119   2HG1  VAL  72          1HG1      VAL  72   3.807   7.529  -1.175
  120   3HG1  VAL  72          2HG1      VAL  72   2.462   7.389   0.018
  121   1HG2  VAL  72          1HG2      VAL  72   2.533   3.934  -1.601
  122   2HG2  VAL  72          2HG2      VAL  72   1.486   5.338  -1.225
  123   3HG2  VAL  72          3HG2      VAL  72   2.760   5.498  -2.476
  124    H    LYS  73           H        LYS  73   5.158   3.971   1.699
  125    HA   LYS  73           HA       LYS  73   5.806   1.385   0.630
  126   1HB   LYS  73          2HB       LYS  73   5.444   2.468   3.460
  127   2HB   LYS  73          1HB       LYS  73   5.548   0.701   3.146
  128   1HG   LYS  73          2HG       LYS  73   7.697   2.689   2.222
  129   2HG   LYS  73          1HG       LYS  73   7.735   1.829   3.808
  130   1HD   LYS  73          2HD       LYS  73   7.634  -0.375   2.598
  131   2HD   LYS  73          1HD       LYS  73   7.763   0.493   1.027
  132   1HE   LYS  73          2HE       LYS  73   9.871   0.583   3.292
  133   2HE   LYS  73          1HE       LYS  73   9.977  -0.406   1.775
  134   1HZ   LYS  73          1HZ       LYS  73   9.896   1.627   0.508
  135   2HZ   LYS  73          2HZ       LYS  73   9.795   2.557   1.925
  136   3HZ   LYS  73          3HZ       LYS  73  11.191   1.642   1.605
  137    H    CYS  74           H        CYS  74   4.451  -0.020  -0.023
  138    HA   CYS  74           HA       CYS  74   1.680   0.138   0.634
  139   1HB   CYS  74          1HB       CYS  74   2.794  -0.463  -1.629
  140   2HB   CYS  74          2HB       CYS  74   3.189  -2.043  -0.879
  141    H    ASP  75           H        ASP  75   0.861  -2.520   0.879
  142    HA   ASP  75           HA       ASP  75   2.087  -3.187   3.473
  143   1HB   ASP  75          2HB       ASP  75  -0.905  -2.691   2.958
  144   2HB   ASP  75          1HB       ASP  75  -0.211  -3.317   4.488
  145    H    LYS  76           H        LYS  76  -0.300  -3.888   0.933
  146    HA   LYS  76           HA       LYS  76  -1.538  -5.503   0.500
  147   1HB   LYS  76          2HB       LYS  76  -0.559  -7.863   0.062
  148   2HB   LYS  76          1HB       LYS  76  -0.318  -6.469  -1.012
  149   1HG   LYS  76          2HG       LYS  76   1.707  -7.421  -1.071
  150   2HG   LYS  76          1HG       LYS  76   1.963  -6.076   0.076
  151   1HD   LYS  76          2HD       LYS  76   1.783  -7.746   1.992
  152   2HD   LYS  76          1HD       LYS  76   1.471  -9.054   0.805
  153   1HE   LYS  76          2HE       LYS  76   4.065  -7.372   0.897
  154   2HE   LYS  76          1HE       LYS  76   3.862  -9.021   1.623
  155   1HZ   LYS  76          3HZ       LYS  76   3.320  -9.858  -0.559
  156   2HZ   LYS  76          1HZ       LYS  76   3.514  -8.315  -1.243
  157   3HZ   LYS  76          2HZ       LYS  76   4.844  -9.108  -0.550
  158    H    LEU  77           H        LEU  77  -2.691  -5.079   2.320
  159    HA   LEU  77           HA       LEU  77  -2.595  -7.103   4.391
  160   1HB   LEU  77          2HB       LEU  77  -4.738  -4.950   3.804
  161   2HB   LEU  77          1HB       LEU  77  -4.645  -6.000   5.265
  162    HG   LEU  77           HG       LEU  77  -2.952  -3.598   4.480
  163   1HD1  LEU  77          2HD2      LEU  77  -4.550  -4.451   6.985
  164   2HD1  LEU  77          3HD2      LEU  77  -3.601  -2.933   6.847
  165   3HD1  LEU  77          1HD2      LEU  77  -5.022  -3.205   5.767
  166   1HD2  LEU  77          2HD1      LEU  77  -2.190  -5.740   6.556
  167   2HD2  LEU  77          3HD1      LEU  77  -1.291  -5.278   5.053
  168   3HD2  LEU  77          1HD1      LEU  77  -1.436  -4.096   6.402
  169    H    ARG  78           H        ARG  78  -4.118  -6.077   1.548
  170    HA   ARG  78           HA       ARG  78  -5.275  -6.911  -0.032
  171   1HB   ARG  78          2HB       ARG  78  -4.986  -9.540   1.397
  172   2HB   ARG  78          1HB       ARG  78  -5.832  -9.377  -0.185
  173   1HG   ARG  78          2HG       ARG  78  -3.761  -8.389  -1.189
  174   2HG   ARG  78          1HG       ARG  78  -2.889  -8.630   0.366
  175   1HD   ARG  78          2HD       ARG  78  -4.138 -10.887  -1.341
  176   2HD   ARG  78          1HD       ARG  78  -2.369 -10.463  -1.261
  177    HE   ARG  78           HE       ARG  78  -3.268 -10.847   1.416
  178   1HH1  ARG  78          1HH1      ARG  78  -2.946 -12.686  -1.622
  179   2HH1  ARG  78          2HH1      ARG  78  -2.709 -14.215  -0.843
  180   1HH2  ARG  78          1HH2      ARG  78  -2.945 -12.926   2.466
  181   2HH2  ARG  78          2HH2      ARG  78  -2.708 -14.354   1.513
  182    HA   PRO  79           HA       PRO  79  -7.004  -7.502  -1.468
  183   1HB   PRO  79          2HB       PRO  79  -9.344  -6.276  -2.372
  184   2HB   PRO  79          1HB       PRO  79  -9.246  -8.039  -1.964
  185   1HG   PRO  79          2HG       PRO  79 -10.288  -5.755  -0.218
  186   2HG   PRO  79          1HG       PRO  79 -11.017  -7.393  -0.482
  187   1HD   PRO  79          2HD       PRO  79  -9.442  -6.779   1.736
  188   2HD   PRO  79          1HD       PRO  79  -9.391  -8.431   0.961
  189    H    HIS  80           H        HIS  80  -8.193  -4.822   0.602
  190    HA   HIS  80           HA       HIS  80  -6.779  -2.927  -1.110
  191   1HB   HIS  80          2HB       HIS  80  -7.878  -1.241   0.595
  192   2HB   HIS  80          1HB       HIS  80  -8.937  -2.037  -0.619
  193    HD1  HIS  80           HD1      HIS  80  -8.075  -2.577   3.114
  194    HD2  HIS  80           HD2      HIS  80 -11.059  -3.411   0.288
  195    HE1  HIS  80           HE1      HIS  80 -10.038  -3.666   4.332
  196    H    CYS  81           H        CYS  81  -5.205  -1.516  -0.145
  197    HA   CYS  81           HA       CYS  81  -4.011  -2.725   2.260
  198   1HB   CYS  81          2HB       CYS  81  -1.938  -1.576   1.607
  199   2HB   CYS  81          1HB       CYS  81  -2.507  -2.542   0.209
  200    H    GLN  82           H        GLN  82  -2.782  -0.768   3.479
  201    HA   GLN  82           HA       GLN  82  -4.851   0.802   4.470
  202   1HB   GLN  82          2HB       GLN  82  -1.842   1.121   4.914
  203   2HB   GLN  82          1HB       GLN  82  -3.137   1.830   5.941
  204   1HG   GLN  82          2HG       GLN  82  -3.901  -0.418   6.630
  205   2HG   GLN  82          1HG       GLN  82  -2.768  -1.207   5.468
  206   1HE2  GLN  82          2HE2      GLN  82  -0.611  -1.674   8.163
  207   2HE2  GLN  82          1HE2      GLN  82  -1.764  -2.379   7.070
  208    H    GLN  83           H        GLN  83  -2.538   1.496   1.858
  209    HA   GLN  83           HA       GLN  83  -2.659   4.258   1.964
  210   1HB   GLN  83          2HB       GLN  83  -2.107   2.489  -0.148
  211   2HB   GLN  83          1HB       GLN  83  -1.952   4.242  -0.323
  212   1HG   GLN  83          2HG       GLN  83  -0.362   2.496   1.699
  213   2HG   GLN  83          1HG       GLN  83   0.271   3.044   0.102
  214   1HE2  GLN  83          2HE2      GLN  83   0.884   5.400   3.214
  215   2HE2  GLN  83          1HE2      GLN  83   0.689   3.677   3.213
  216    H    CYS  84           H        CYS  84  -4.350   1.916  -0.440
  217    HA   CYS  84           HA       CYS  84  -6.044   3.903  -1.120
  218   1HB   CYS  84          1HB       CYS  84  -6.690   1.265  -2.042
  219   2HB   CYS  84          2HB       CYS  84  -6.486   2.599  -2.766
  220    H    THR  85           H        THR  85  -6.333   2.016   1.731
  221    HA   THR  85           HA       THR  85  -9.199   1.963   1.508
  222    HB   THR  85           HB       THR  85  -7.373   1.894   3.965
  223    HG1  THR  85           HG1      THR  85  -7.308   0.124   2.533
  224   1HG2  THR  85          3HG2      THR  85 -10.433   1.477   3.652
  225   2HG2  THR  85          1HG2      THR  85  -9.480   0.963   5.090
  226   3HG2  THR  85          2HG2      THR  85  -9.616   2.706   4.698
  227    H    LYS  86           H        LYS  86  -6.535   4.103   2.495
  228    HA   LYS  86           HA       LYS  86  -8.154   6.015   3.732
  229   1HB   LYS  86          1HB       LYS  86  -5.712   5.529   4.193
  230   2HB   LYS  86          2HB       LYS  86  -5.449   6.602   2.775
  231   1HG   LYS  86          2HG       LYS  86  -6.630   8.465   3.936
  232   2HG   LYS  86          1HG       LYS  86  -7.068   7.355   5.282
  233   1HD   LYS  86          2HD       LYS  86  -4.637   7.052   5.813
  234   2HD   LYS  86          1HD       LYS  86  -4.212   8.203   4.496
  235   1HE   LYS  86          2HE       LYS  86  -5.464  10.031   5.680
  236   2HE   LYS  86          1HE       LYS  86  -5.923   8.865   6.991
  237   1HZ   LYS  86          1HZ       LYS  86  -3.591   8.544   7.446
  238   2HZ   LYS  86          2HZ       LYS  86  -3.157   9.637   6.220
  239   3HZ   LYS  86          3HZ       LYS  86  -4.019  10.182   7.578
  240    H    THR  87           H        THR  87  -6.724   5.852   0.292
  241    HA   THR  87           HA       THR  87  -7.944   8.448  -0.078
  242    HB   THR  87           HB       THR  87  -5.873   8.468  -1.102
  243    HG1  THR  87           HG1      THR  87  -6.425   8.502  -3.293
  244   1HG2  THR  87          2HG2      THR  87  -6.561   5.674  -2.221
  245   2HG2  THR  87          3HG2      THR  87  -5.181   6.686  -2.781
  246   3HG2  THR  87          1HG2      THR  87  -5.241   6.120  -1.081
  247    H    GLY  88           H        GLY  88  -8.482   4.959  -0.643
  248   1HA   GLY  88          1HA       GLY  88 -10.551   4.138  -0.870
  249   2HA   GLY  88          2HA       GLY  88 -11.149   5.736  -1.481
  250    H    VAL  89           H        VAL  89  -8.186   3.950  -2.420
  251    HA   VAL  89           HA       VAL  89  -9.415   3.566  -4.988
  252    HB   VAL  89           HB       VAL  89  -7.473   3.567  -6.275
  253   1HG1  VAL  89          1HG1      VAL  89  -8.753   5.357  -5.451
  254   2HG1  VAL  89          2HG1      VAL  89  -7.462   5.588  -4.066
  255   3HG1  VAL  89          3HG1      VAL  89  -7.041   5.937  -5.847
  256   1HG2  VAL  89          2HG2      VAL  89  -5.736   4.163  -3.754
  257   2HG2  VAL  89          3HG2      VAL  89  -5.524   2.775  -4.883
  258   3HG2  VAL  89          1HG2      VAL  89  -5.293   4.453  -5.479
  259    H    ALA  90           H        ALA  90 -10.259   1.935  -3.237
  260    HA   ALA  90           HA       ALA  90  -8.316  -0.008  -3.040
  261   1HB   ALA  90          1HB       ALA  90 -11.400  -0.230  -2.659
  262   2HB   ALA  90          2HB       ALA  90 -10.262  -1.578  -2.287
  263   3HB   ALA  90          3HB       ALA  90 -10.167  -0.030  -1.349
  264    H    HIS  91           H        HIS  91 -10.713   1.220  -5.233
  265    HA   HIS  91           HA       HIS  91 -11.326  -0.880  -6.951
  266   1HB   HIS  91          1HB       HIS  91 -12.394   0.761  -8.278
  267   2HB   HIS  91          2HB       HIS  91 -12.419   1.471  -6.614
  268    HD1  HIS  91           HD1      HIS  91 -10.179   3.099  -6.131
  269    HD2  HIS  91           HD2      HIS  91 -12.052   2.919  -9.846
  270    HE1  HIS  91           HE1      HIS  91  -9.582   5.221  -7.335
  271    H    LEU  92           H        LEU  92  -8.791   1.742  -6.822
  272    HA   LEU  92           HA       LEU  92  -7.592   0.329  -9.125
  273   1HB   LEU  92          2HB       LEU  92  -6.218   2.619  -7.662
  274   2HB   LEU  92          1HB       LEU  92  -5.778   1.901  -9.241
  275    HG   LEU  92           HG       LEU  92  -8.213   3.600  -8.582
  276   1HD1  LEU  92          2HD1      LEU  92  -6.108   4.829  -9.047
  277   2HD1  LEU  92          3HD1      LEU  92  -5.942   3.975 -10.628
  278   3HD1  LEU  92          1HD1      LEU  92  -7.330   5.095 -10.350
  279   1HD2  LEU  92          1HD2      LEU  92  -7.678   1.947 -11.123
  280   2HD2  LEU  92          2HD2      LEU  92  -9.034   1.751  -9.955
  281   3HD2  LEU  92          3HD2      LEU  92  -8.946   3.236 -10.976
  282    H    CYS  93           H        CYS  93  -7.789  -0.557  -6.224
  283    HA   CYS  93           HA       CYS  93  -4.943  -0.975  -5.688
  284   1HB   CYS  93          1HB       CYS  93  -6.428  -0.612  -3.725
  285   2HB   CYS  93          2HB       CYS  93  -7.226  -2.182  -4.057
  286    H    HIS  94           H        HIS  94  -3.943  -2.338  -6.995
  287    HA   HIS  94           HA       HIS  94  -4.732  -5.110  -6.738
  288   1HB   HIS  94          2HB       HIS  94  -3.835  -3.805  -9.392
  289   2HB   HIS  94          1HB       HIS  94  -4.102  -5.570  -9.123
  290    HD1  HIS  94           HD1      HIS  94  -6.771  -6.152  -8.508
  291    HD2  HIS  94           HD2      HIS  94  -6.053  -2.386 -10.213
  292    HE1  HIS  94           HE1      HIS  94  -9.002  -5.212  -9.327
  293    H    TYR  95           H        TYR  95  -2.795  -6.349  -6.521
  294    HA   TYR  95           HA       TYR  95  -0.389  -4.658  -6.524
  295   1HB   TYR  95          1HB       TYR  95  -0.425  -7.434  -5.277
  296   2HB   TYR  95          2HB       TYR  95   0.735  -6.037  -5.092
  297    HD1  TYR  95           HD2      TYR  95  -2.689  -7.329  -4.437
  298    HD2  TYR  95           HD1      TYR  95   0.198  -4.384  -3.226
  299    HE1  TYR  95           HE2      TYR  95  -4.173  -6.575  -2.619
  300    HE2  TYR  95           HE1      TYR  95  -1.300  -3.636  -1.550
  301    HH   TYR  95           HH       TYR  95  -4.454  -5.210  -0.925
  302    H    MET  96           H        MET  96   1.108  -5.094  -8.036
  303    HA   MET  96           HA       MET  96   1.282  -7.706  -9.129
  304   1HB   MET  96          1HB       MET  96   1.294  -6.357 -11.439
  305   2HB   MET  96          2HB       MET  96  -0.140  -7.325 -10.913
  306   1HG   MET  96          2HG       MET  96  -1.185  -5.177 -10.087
  307   2HG   MET  96          1HG       MET  96   0.254  -4.272 -10.662
  308   1HE   MET  96          2HE       MET  96  -2.706  -3.636 -11.378
  309   2HE   MET  96          3HE       MET  96  -1.370  -2.702 -12.141
  310   3HE   MET  96          1HE       MET  96  -2.697  -3.360 -13.154
  311    H    GLU  97           H        GLU  97   3.286  -8.059  -9.222
  312    HA   GLU  97           HA       GLU  97   5.267  -8.139  -9.883
  313   1HB   GLU  97          2HB       GLU  97   3.867  -7.913 -12.034
  314   2HB   GLU  97          1HB       GLU  97   4.548  -6.259 -12.167
  315   1HG   GLU  97          2HG       GLU  97   5.853  -7.828 -13.562
  316   2HG   GLU  97          1HG       GLU  97   6.897  -7.308 -12.189
  317    H    GLN  98           H        GLN  98   7.085  -7.556  -9.074
  318    HA   GLN  98           HA       GLN  98   7.668  -4.770  -8.682
  319   1HB   GLN  98          1HB       GLN  98   8.259  -6.407  -6.918
  320   2HB   GLN  98          2HB       GLN  98   9.276  -7.320  -8.075
  321   1HG   GLN  98          2HG       GLN  98  10.892  -5.424  -8.202
  322   2HG   GLN  98          1HG       GLN  98   9.777  -4.384  -7.230
  323   1HE2  GLN  98          2HE2      GLN  98  11.911  -7.541  -5.497
  324   2HE2  GLN  98          1HE2      GLN  98  11.676  -7.457  -7.211
  325    H    THR  99           H        THR  99   9.365  -7.579 -10.199
  326    HA   THR  99           HA       THR  99  10.797  -5.697 -11.873
  327    HB   THR  99           HB       THR  99  12.328  -7.122 -10.852
  328    HG1  THR  99           HG1      THR  99  12.504  -7.033 -13.112
  329   1HG2  THR  99          2HG2      THR  99  10.378  -9.466 -11.426
  330   2HG2  THR  99          3HG2      THR  99  12.042  -9.623 -10.760
  331   3HG2  THR  99          1HG2      THR  99  10.782  -8.757  -9.822
  332    H    TRP 100           H        TRP 100   9.708  -5.117 -13.664
  333    HA   TRP 100           HA       TRP 100   7.908  -6.998 -14.854
  334   1HB   TRP 100          2HB       TRP 100   8.851  -4.273 -15.892
  335   2HB   TRP 100          1HB       TRP 100   7.458  -5.237 -16.516
  336    HD1  TRP 100           HD1      TRP 100   5.240  -5.358 -14.790
  337    HE1  TRP 100           HE1      TRP 100   4.507  -3.775 -12.912
  338    HE3  TRP 100           HE3      TRP 100   9.604  -2.850 -14.175
  339    HZ2  TRP 100           HZ2      TRP 100   5.661  -1.705 -11.370
  340    HZ3  TRP 100           HZ3      TRP 100   9.730  -1.074 -12.488
  341    HH2  TRP 100           HH2      TRP 100   7.794  -0.504 -11.116
   
  No H/Q in entry =         341
  Start of MODEL   15
    1   1H    ILE  60          2H        ILE  60   6.813  -5.129   2.189
    2   2H    ILE  60          3H        ILE  60   7.530  -6.513   2.864
    3   3H    ILE  60          1H        ILE  60   7.901  -4.975   3.484
    4    HA   ILE  60           HA       ILE  60   8.913  -4.363   1.474
    5    HB   ILE  60           HB       ILE  60   9.943  -6.772   2.772
    6   1HG1  ILE  60          2HG1      ILE  60   9.665  -4.717   4.159
    7   2HG1  ILE  60          1HG1      ILE  60  11.345  -5.317   4.031
    8   1HG2  ILE  60          1HG2      ILE  60  11.346  -5.034   0.641
    9   2HG2  ILE  60          2HG2      ILE  60  12.221  -6.089   1.806
   10   3HG2  ILE  60          3HG2      ILE  60  11.105  -6.827   0.617
   11   1HD1  ILE  60          2HD1      ILE  60  10.220  -2.912   2.450
   12   2HD1  ILE  60          3HD1      ILE  60  11.259  -2.836   3.917
   13   3HD1  ILE  60          1HD1      ILE  60  11.915  -3.521   2.391
   14    HA   PRO  61           HA       PRO  61   8.434  -7.632  -1.771
   15   1HB   PRO  61          1HB       PRO  61   6.239  -9.439  -0.678
   16   2HB   PRO  61          2HB       PRO  61   7.641  -9.908  -1.726
   17   1HG   PRO  61          2HG       PRO  61   7.662 -10.496   0.954
   18   2HG   PRO  61          1HG       PRO  61   9.158  -9.848   0.156
   19   1HD   PRO  61          2HD       PRO  61   7.084  -8.304   1.806
   20   2HD   PRO  61          1HD       PRO  61   8.902  -8.226   1.863
   21    H    LEU  62           H        LEU  62   7.270  -6.661  -3.342
   22    HA   LEU  62           HA       LEU  62   5.736  -5.865  -4.555
   23   1HB   LEU  62          2HB       LEU  62   3.747  -7.389  -2.817
   24   2HB   LEU  62          1HB       LEU  62   3.290  -6.510  -4.302
   25    HG   LEU  62           HG       LEU  62   5.372  -8.764  -4.249
   26   1HD1  LEU  62          1HD2      LEU  62   2.390  -8.827  -5.013
   27   2HD1  LEU  62          2HD2      LEU  62   3.567 -10.174  -5.263
   28   3HD1  LEU  62          3HD2      LEU  62   3.155  -9.635  -3.591
   29   1HD2  LEU  62          1HD1      LEU  62   3.921  -7.343  -6.579
   30   2HD2  LEU  62          2HD1      LEU  62   5.683  -7.251  -6.200
   31   3HD2  LEU  62          3HD1      LEU  62   4.959  -8.808  -6.737
   32    H    SER  63           H        SER  63   3.835  -4.526  -4.879
   33    HA   SER  63           HA       SER  63   3.038  -2.724  -2.860
   34   1HB   SER  63          1HB       SER  63   5.372  -1.774  -3.212
   35   2HB   SER  63          2HB       SER  63   5.123  -1.862  -5.001
   36    HG   SER  63           HG       SER  63   4.823   0.200  -4.128
   37    H    CYS  64           H        CYS  64   1.424  -1.177  -4.013
   38    HA   CYS  64           HA       CYS  64   0.227  -2.705  -6.059
   39   1HB   CYS  64          2HB       CYS  64  -0.586   0.109  -5.265
   40   2HB   CYS  64          1HB       CYS  64  -1.601  -1.236  -5.915
   41    H    THR  65           H        THR  65  -0.936  -1.096  -7.795
   42    HA   THR  65           HA       THR  65   1.151  -0.655  -9.600
   43    HB   THR  65           HB       THR  65  -0.739   0.161 -11.116
   44    HG1  THR  65           HG1      THR  65  -2.067   0.807  -9.383
   45   1HG2  THR  65          1HG2      THR  65  -1.014  -2.612  -9.736
   46   2HG2  THR  65          2HG2      THR  65  -1.730  -2.148 -11.310
   47   3HG2  THR  65          3HG2      THR  65   0.063  -2.214 -11.121
   48    H    ILE  66           H        ILE  66  -0.953   1.629  -7.718
   49    HA   ILE  66           HA       ILE  66   0.332   3.815  -9.115
   50    HB   ILE  66           HB       ILE  66  -1.015   4.440  -6.638
   51   1HG1  ILE  66          2HG1      ILE  66  -2.668   3.616  -9.106
   52   2HG1  ILE  66          1HG1      ILE  66  -2.592   2.716  -7.549
   53   1HG2  ILE  66          2HG2      ILE  66   0.096   6.103  -8.158
   54   2HG2  ILE  66          3HG2      ILE  66  -0.995   5.606  -9.499
   55   3HG2  ILE  66          1HG2      ILE  66  -1.658   6.433  -8.040
   56   1HD1  ILE  66          3HD1      ILE  66  -3.454   4.771  -6.342
   57   2HD1  ILE  66          1HD1      ILE  66  -3.707   5.565  -7.944
   58   3HD1  ILE  66          2HD1      ILE  66  -4.612   4.069  -7.521
   59    H    CYS  67           H        CYS  67   0.499   1.963  -6.086
   60    HA   CYS  67           HA       CYS  67   1.846   3.978  -4.686
   61   1HB   CYS  67          1HB       CYS  67   1.494   0.995  -4.163
   62   2HB   CYS  67          2HB       CYS  67   2.350   2.084  -3.034
   63    H    ARG  68           H        ARG  68   3.037   1.525  -6.910
   64    HA   ARG  68           HA       ARG  68   5.681   1.637  -5.870
   65   1HB   ARG  68          2HB       ARG  68   4.779  -0.310  -7.223
   66   2HB   ARG  68          1HB       ARG  68   4.687   0.780  -8.647
   67   1HG   ARG  68          2HG       ARG  68   6.648  -0.691  -8.762
   68   2HG   ARG  68          1HG       ARG  68   7.192   1.009  -8.626
   69   1HD   ARG  68          2HD       ARG  68   7.682   0.646  -6.170
   70   2HD   ARG  68          1HD       ARG  68   7.121  -1.078  -6.336
   71    HE   ARG  68           HE       ARG  68   9.082  -0.564  -8.365
   72   1HH1  ARG  68          1HH1      ARG  68   8.763  -0.739  -4.817
   73   2HH1  ARG  68          2HH1      ARG  68  10.401  -1.233  -4.546
   74   1HH2  ARG  68          1HH2      ARG  68  11.307  -1.235  -7.988
   75   2HH2  ARG  68          2HH2      ARG  68  11.867  -1.518  -6.374
   76    H    LYS  69           H        LYS  69   3.688   3.442  -8.210
   77    HA   LYS  69           HA       LYS  69   5.767   4.756  -9.518
   78   1HB   LYS  69          2HB       LYS  69   3.083   5.541  -9.306
   79   2HB   LYS  69          1HB       LYS  69   4.258   6.280 -10.426
   80   1HG   LYS  69          2HG       LYS  69   4.553   4.079 -11.572
   81   2HG   LYS  69          1HG       LYS  69   3.386   3.309 -10.442
   82   1HD   LYS  69          2HD       LYS  69   1.570   4.805 -11.262
   83   2HD   LYS  69          1HD       LYS  69   2.721   5.583 -12.409
   84   1HE   LYS  69          2HE       LYS  69   3.043   3.390 -13.589
   85   2HE   LYS  69          1HE       LYS  69   1.905   2.596 -12.425
   86   1HZ   LYS  69          3HZ       LYS  69   0.192   4.115 -13.158
   87   2HZ   LYS  69          1HZ       LYS  69   1.258   4.842 -14.261
   88   3HZ   LYS  69          2HZ       LYS  69   0.818   3.213 -14.454
   89    H    ARG  70           H        ARG  70   3.651   5.696  -6.719
   90    HA   ARG  70           HA       ARG  70   4.866   8.243  -6.530
   91   1HB   ARG  70          2HB       ARG  70   3.290   6.747  -4.372
   92   2HB   ARG  70          1HB       ARG  70   3.521   8.524  -4.503
   93   1HG   ARG  70          2HG       ARG  70   1.912   6.722  -6.422
   94   2HG   ARG  70          1HG       ARG  70   1.232   7.758  -5.155
   95   1HD   ARG  70          2HD       ARG  70   2.007   9.802  -6.383
   96   2HD   ARG  70          1HD       ARG  70   2.802   8.751  -7.638
   97    HE   ARG  70           HE       ARG  70   0.018   8.018  -7.299
   98   1HH1  ARG  70          1HH1      ARG  70   2.191  10.501  -8.659
   99   2HH1  ARG  70          2HH1      ARG  70   1.123  10.933  -9.952
  100   1HH2  ARG  70          1HH2      ARG  70  -1.422   8.612  -9.054
  101   2HH2  ARG  70          2HH2      ARG  70  -0.961   9.846 -10.180
  102    H    LYS  71           H        LYS  71   5.251   5.033  -5.122
  103    HA   LYS  71           HA       LYS  71   6.717   4.073  -3.956
  104   1HB   LYS  71          1HB       LYS  71   8.460   5.521  -5.256
  105   2HB   LYS  71          2HB       LYS  71   8.539   6.522  -3.777
  106   1HG   LYS  71          2HG       LYS  71  10.379   4.979  -3.660
  107   2HG   LYS  71          1HG       LYS  71   9.164   4.418  -2.470
  108   1HD   LYS  71          2HD       LYS  71   9.829   2.436  -3.404
  109   2HD   LYS  71          1HD       LYS  71   8.387   2.760  -4.419
  110   1HE   LYS  71          2HE       LYS  71  11.319   3.420  -5.204
  111   2HE   LYS  71          1HE       LYS  71  10.434   1.921  -5.686
  112   1HZ   LYS  71          3HZ       LYS  71   9.633   4.694  -6.371
  113   2HZ   LYS  71          1HZ       LYS  71  10.410   3.584  -7.396
  114   3HZ   LYS  71          2HZ       LYS  71   8.838   3.267  -6.836
  115    H    VAL  72           H        VAL  72   4.590   4.648  -2.735
  116    HA   VAL  72           HA       VAL  72   5.365   5.733  -0.155
  117    HB   VAL  72           HB       VAL  72   2.899   5.401   0.315
  118   1HG1  VAL  72          1HG1      VAL  72   3.964   7.628  -0.104
  119   2HG1  VAL  72          2HG1      VAL  72   3.700   7.427  -1.878
  120   3HG1  VAL  72          3HG1      VAL  72   2.287   7.570  -0.766
  121   1HG2  VAL  72          3HG2      VAL  72   2.723   5.122  -2.760
  122   2HG2  VAL  72          1HG2      VAL  72   2.319   3.846  -1.546
  123   3HG2  VAL  72          2HG2      VAL  72   1.348   5.349  -1.632
  124    H    LYS  73           H        LYS  73   4.506   4.243   1.661
  125    HA   LYS  73           HA       LYS  73   5.579   1.680   1.032
  126   1HB   LYS  73          1HB       LYS  73   6.136   2.832   3.176
  127   2HB   LYS  73          2HB       LYS  73   4.405   2.789   3.645
  128   1HG   LYS  73          2HG       LYS  73   5.728   1.075   4.821
  129   2HG   LYS  73          1HG       LYS  73   4.483   0.297   3.799
  130   1HD   LYS  73          2HD       LYS  73   6.214  -0.237   2.076
  131   2HD   LYS  73          1HD       LYS  73   7.464   0.606   3.059
  132   1HE   LYS  73          2HE       LYS  73   7.188  -1.066   4.887
  133   2HE   LYS  73          1HE       LYS  73   5.831  -1.856   3.980
  134   1HZ   LYS  73          3HZ       LYS  73   7.365  -2.333   2.201
  135   2HZ   LYS  73          1HZ       LYS  73   8.640  -1.597   3.048
  136   3HZ   LYS  73          2HZ       LYS  73   7.905  -2.996   3.668
  137    H    CYS  74           H        CYS  74   4.292   0.364  -0.156
  138    HA   CYS  74           HA       CYS  74   1.650  -0.207   0.949
  139   1HB   CYS  74          2HB       CYS  74   1.835   0.777  -1.412
  140   2HB   CYS  74          1HB       CYS  74   2.754  -0.675  -1.874
  141    H    ASP  75           H        ASP  75   1.244  -2.779   0.153
  142    HA   ASP  75           HA       ASP  75   3.680  -4.230   0.687
  143   1HB   ASP  75          2HB       ASP  75   1.375  -3.999   2.716
  144   2HB   ASP  75          1HB       ASP  75   2.401  -5.480   2.627
  145    H    LYS  76           H        LYS  76   0.165  -4.796   1.221
  146    HA   LYS  76           HA       LYS  76  -0.450  -6.353  -0.735
  147   1HB   LYS  76          1HB       LYS  76   1.749  -7.834   0.083
  148   2HB   LYS  76          2HB       LYS  76   0.571  -8.370   1.313
  149   1HG   LYS  76          2HG       LYS  76   0.652  -9.969  -0.497
  150   2HG   LYS  76          1HG       LYS  76  -0.937  -9.147  -0.614
  151   1HD   LYS  76          2HD       LYS  76   0.026  -7.623  -2.403
  152   2HD   LYS  76          1HD       LYS  76   1.556  -8.561  -2.324
  153   1HE   LYS  76          2HE       LYS  76  -1.234  -9.692  -3.069
  154   2HE   LYS  76          1HE       LYS  76   0.100  -9.295  -4.229
  155   1HZ   LYS  76          3HZ       LYS  76   1.472 -10.926  -3.119
  156   2HZ   LYS  76          1HZ       LYS  76   0.214 -11.304  -2.041
  157   3HZ   LYS  76          2HZ       LYS  76   0.034 -11.619  -3.700
  158    H    LEU  77           H        LEU  77  -0.506  -5.518   2.629
  159    HA   LEU  77           HA       LEU  77  -1.937  -7.280   3.877
  160   1HB   LEU  77          2HB       LEU  77  -2.571  -5.485   5.458
  161   2HB   LEU  77          1HB       LEU  77  -0.873  -5.312   4.893
  162    HG   LEU  77           HG       LEU  77  -2.251  -3.675   3.122
  163   1HD1  LEU  77          2HD1      LEU  77  -4.355  -3.948   4.516
  164   2HD1  LEU  77          3HD1      LEU  77  -3.441  -3.408   5.971
  165   3HD1  LEU  77          1HD1      LEU  77  -3.734  -2.271   4.613
  166   1HD2  LEU  77          1HD2      LEU  77  -0.037  -3.369   4.238
  167   2HD2  LEU  77          2HD2      LEU  77  -1.073  -1.904   4.241
  168   3HD2  LEU  77          3HD2      LEU  77  -0.895  -2.885   5.749
  169    H    ARG  78           H        ARG  78  -3.991  -7.915   4.301
  170    HA   ARG  78           HA       ARG  78  -5.542  -7.624   1.998
  171   1HB   ARG  78          2HB       ARG  78  -6.175  -9.119   4.597
  172   2HB   ARG  78          1HB       ARG  78  -7.091  -9.289   3.061
  173   1HG   ARG  78          2HG       ARG  78  -4.153 -10.080   3.546
  174   2HG   ARG  78          1HG       ARG  78  -5.563 -11.179   3.370
  175   1HD   ARG  78          2HD       ARG  78  -5.900 -10.314   0.999
  176   2HD   ARG  78          1HD       ARG  78  -4.352  -9.390   1.141
  177    HE   ARG  78           HE       ARG  78  -4.690 -12.306   0.849
  178   1HH1  ARG  78          1HH1      ARG  78  -2.510  -9.698   1.963
  179   2HH1  ARG  78          2HH1      ARG  78  -1.066 -10.623   1.723
  180   1HH2  ARG  78          1HH2      ARG  78  -2.729 -13.527   0.531
  181   2HH2  ARG  78          2HH2      ARG  78  -1.192 -12.822   0.900
  182    HA   PRO  79           HA       PRO  79  -7.753  -7.879   1.291
  183   1HB   PRO  79          2HB       PRO  79  -9.835  -6.299   0.294
  184   2HB   PRO  79          1HB       PRO  79 -10.079  -7.648   1.473
  185   1HG   PRO  79          2HG       PRO  79  -9.954  -4.657   2.035
  186   2HG   PRO  79          1HG       PRO  79 -11.034  -5.910   2.773
  187   1HD   PRO  79          2HD       PRO  79  -8.675  -4.937   3.976
  188   2HD   PRO  79          1HD       PRO  79  -9.316  -6.618   4.271
  189    H    HIS  80           H        HIS  80  -8.329  -4.248   1.171
  190    HA   HIS  80           HA       HIS  80  -6.334  -4.069  -0.909
  191   1HB   HIS  80          2HB       HIS  80  -7.764  -1.685   0.238
  192   2HB   HIS  80          1HB       HIS  80  -7.398  -2.051  -1.461
  193    HD1  HIS  80           HD1      HIS  80  -9.044  -4.511  -2.142
  194    HD2  HIS  80           HD2      HIS  80 -10.358  -1.473   0.410
  195    HE1  HIS  80           HE1      HIS  80 -11.601  -4.572  -2.115
  196    H    CYS  81           H        CYS  81  -4.885  -2.029  -0.573
  197    HA   CYS  81           HA       CYS  81  -3.511  -2.711   1.811
  198   1HB   CYS  81          2HB       CYS  81  -1.649  -1.447   1.056
  199   2HB   CYS  81          1HB       CYS  81  -2.353  -2.164  -0.426
  200    H    GLN  82           H        GLN  82  -2.391  -0.883   3.071
  201    HA   GLN  82           HA       GLN  82  -4.201   0.449   4.566
  202   1HB   GLN  82          1HB       GLN  82  -1.329   0.678   4.149
  203   2HB   GLN  82          2HB       GLN  82  -2.095   1.990   5.103
  204   1HG   GLN  82          2HG       GLN  82  -2.470  -1.003   5.727
  205   2HG   GLN  82          1HG       GLN  82  -1.152  -0.044   6.450
  206   1HE2  GLN  82          2HE2      GLN  82  -4.818  -0.169   8.104
  207   2HE2  GLN  82          1HE2      GLN  82  -4.120  -1.315   7.005
  208    H    GLN  83           H        GLN  83  -2.633   1.765   1.619
  209    HA   GLN  83           HA       GLN  83  -3.440   4.411   2.154
  210   1HB   GLN  83          1HB       GLN  83  -2.633   3.160  -0.532
  211   2HB   GLN  83          2HB       GLN  83  -2.604   4.888  -0.080
  212   1HG   GLN  83          2HG       GLN  83  -0.800   2.652   1.090
  213   2HG   GLN  83          1HG       GLN  83  -0.317   3.887  -0.127
  214   1HE2  GLN  83          2HE2      GLN  83  -0.341   6.688   2.157
  215   2HE2  GLN  83          1HE2      GLN  83  -0.722   6.241   0.527
  216    H    CYS  84           H        CYS  84  -4.514   1.899  -0.386
  217    HA   CYS  84           HA       CYS  84  -6.516   3.625  -1.109
  218   1HB   CYS  84          2HB       CYS  84  -7.250   1.720  -2.493
  219   2HB   CYS  84          1HB       CYS  84  -5.705   2.338  -2.899
  220    H    THR  85           H        THR  85  -6.634   1.344   1.535
  221    HA   THR  85           HA       THR  85  -9.360   0.838   0.916
  222    HB   THR  85           HB       THR  85  -8.066   0.824   3.721
  223    HG1  THR  85           HG1      THR  85  -7.127  -0.605   2.216
  224   1HG2  THR  85          1HG2      THR  85 -10.667  -0.436   2.590
  225   2HG2  THR  85          2HG2      THR  85  -9.968  -0.813   4.207
  226   3HG2  THR  85          3HG2      THR  85 -10.573   0.838   3.868
  227    H    LYS  86           H        LYS  86  -7.307   3.216   2.624
  228    HA   LYS  86           HA       LYS  86  -9.303   4.544   3.981
  229   1HB   LYS  86          2HB       LYS  86  -6.504   5.210   3.406
  230   2HB   LYS  86          1HB       LYS  86  -7.578   6.287   4.351
  231   1HG   LYS  86          2HG       LYS  86  -8.038   4.390   5.943
  232   2HG   LYS  86          1HG       LYS  86  -6.876   3.361   5.035
  233   1HD   LYS  86          2HD       LYS  86  -5.048   5.027   5.518
  234   2HD   LYS  86          1HD       LYS  86  -6.205   5.992   6.503
  235   1HE   LYS  86          2HE       LYS  86  -5.400   3.056   7.072
  236   2HE   LYS  86          1HE       LYS  86  -4.750   4.514   7.932
  237   1HZ   LYS  86          3HZ       LYS  86  -6.988   5.024   8.640
  238   2HZ   LYS  86          1HZ       LYS  86  -7.595   3.653   7.843
  239   3HZ   LYS  86          2HZ       LYS  86  -6.520   3.470   9.145
  240    H    THR  87           H        THR  87  -7.754   5.365   0.622
  241    HA   THR  87           HA       THR  87  -9.459   7.712   0.841
  242    HB   THR  87           HB       THR  87  -7.294   8.337   0.194
  243    HG1  THR  87           HG1      THR  87  -9.008   8.138  -2.054
  244   1HG2  THR  87          2HG2      THR  87  -7.531   6.172  -1.982
  245   2HG2  THR  87          3HG2      THR  87  -6.219   7.397  -1.878
  246   3HG2  THR  87          1HG2      THR  87  -6.394   6.158  -0.591
  247    H    GLY  88           H        GLY  88  -9.249   4.420  -0.374
  248   1HA   GLY  88          1HA       GLY  88 -11.085   3.299  -0.921
  249   2HA   GLY  88          2HA       GLY  88 -11.944   4.849  -1.310
  250    H    VAL  89           H        VAL  89  -8.673   3.801  -2.313
  251    HA   VAL  89           HA       VAL  89  -9.628   3.907  -5.030
  252    HB   VAL  89           HB       VAL  89  -7.363   4.356  -5.882
  253   1HG1  VAL  89          3HG1      VAL  89  -9.157   5.713  -5.558
  254   2HG1  VAL  89          1HG1      VAL  89  -8.605   6.057  -3.748
  255   3HG1  VAL  89          2HG1      VAL  89  -7.615   6.667  -5.177
  256   1HG2  VAL  89          3HG2      VAL  89  -6.799   4.495  -2.884
  257   2HG2  VAL  89          1HG2      VAL  89  -5.746   3.805  -4.189
  258   3HG2  VAL  89          2HG2      VAL  89  -5.959   5.589  -4.049
  259    H    ALA  90           H        ALA  90 -10.059   1.555  -3.624
  260    HA   ALA  90           HA       ALA  90  -7.712   0.085  -3.897
  261   1HB   ALA  90          2HB       ALA  90 -10.512  -0.944  -3.521
  262   2HB   ALA  90          3HB       ALA  90  -8.966  -1.904  -3.489
  263   3HB   ALA  90          1HB       ALA  90  -9.217  -0.562  -2.286
  264    H    HIS  91           H        HIS  91 -10.409   1.063  -5.868
  265    HA   HIS  91           HA       HIS  91 -10.467  -0.832  -7.927
  266   1HB   HIS  91          2HB       HIS  91 -11.529   1.020  -9.251
  267   2HB   HIS  91          1HB       HIS  91 -12.425   0.603  -7.726
  268    HD1  HIS  91           HD1      HIS  91 -10.854   2.488  -5.809
  269    HD2  HIS  91           HD2      HIS  91 -12.178   3.652  -9.600
  270    HE1  HIS  91           HE1      HIS  91 -10.750   4.995  -5.898
  271    H    LEU  92           H        LEU  92  -8.823   2.436  -7.367
  272    HA   LEU  92           HA       LEU  92  -7.563   1.955  -9.874
  273   1HB   LEU  92          1HB       LEU  92  -6.768   4.004  -7.744
  274   2HB   LEU  92          2HB       LEU  92  -6.374   4.037  -9.479
  275    HG   LEU  92           HG       LEU  92  -9.095   4.461  -8.181
  276   1HD1  LEU  92          3HD1      LEU  92  -7.589   6.430  -8.156
  277   2HD1  LEU  92          1HD1      LEU  92  -7.366   6.301  -9.944
  278   3HD1  LEU  92          2HD1      LEU  92  -8.991   6.697  -9.261
  279   1HD2  LEU  92          1HD2      LEU  92  -8.406   4.118 -11.163
  280   2HD2  LEU  92          2HD2      LEU  92  -9.452   3.059 -10.147
  281   3HD2  LEU  92          3HD2      LEU  92  -9.993   4.739 -10.538
  282    H    CYS  93           H        CYS  93  -7.065   0.584  -7.118
  283    HA   CYS  93           HA       CYS  93  -4.082   0.577  -7.488
  284   1HB   CYS  93          2HB       CYS  93  -4.890   2.394  -5.868
  285   2HB   CYS  93          1HB       CYS  93  -5.356   1.063  -4.774
  286    H    HIS  94           H        HIS  94  -4.027  -1.503  -8.185
  287    HA   HIS  94           HA       HIS  94  -4.830  -3.567  -6.247
  288   1HB   HIS  94          2HB       HIS  94  -4.547  -3.537  -9.315
  289   2HB   HIS  94          1HB       HIS  94  -4.661  -5.053  -8.374
  290    HD1  HIS  94           HD1      HIS  94  -6.740  -1.969  -9.303
  291    HD2  HIS  94           HD2      HIS  94  -7.271  -5.703  -7.466
  292    HE1  HIS  94           HE1      HIS  94  -9.248  -2.357  -8.999
  293    H    TYR  95           H        TYR  95  -3.305  -5.462  -6.167
  294    HA   TYR  95           HA       TYR  95  -0.578  -4.596  -6.558
  295   1HB   TYR  95          1HB       TYR  95  -1.435  -7.444  -5.841
  296   2HB   TYR  95          2HB       TYR  95   0.140  -6.626  -5.464
  297    HD1  TYR  95           HD1      TYR  95  -0.113  -4.429  -3.874
  298    HD2  TYR  95           HD2      TYR  95  -3.010  -7.576  -4.293
  299    HE1  TYR  95           HE1      TYR  95  -1.269  -3.618  -1.979
  300    HE2  TYR  95           HE2      TYR  95  -4.049  -6.860  -2.184
  301    HH   TYR  95           HH       TYR  95  -2.921  -3.970  -0.457
  302    H    MET  96           H        MET  96   0.944  -6.135  -7.784
  303    HA   MET  96           HA       MET  96  -0.169  -6.626 -10.334
  304   1HB   MET  96          2HB       MET  96   2.521  -7.006  -9.184
  305   2HB   MET  96          1HB       MET  96   2.129  -7.312 -10.906
  306   1HG   MET  96          2HG       MET  96   1.405  -4.925 -11.148
  307   2HG   MET  96          1HG       MET  96   1.819  -4.616  -9.434
  308   1HE   MET  96          2HE       MET  96   2.691  -2.853 -11.740
  309   2HE   MET  96          3HE       MET  96   3.138  -2.596 -10.017
  310   3HE   MET  96          1HE       MET  96   4.397  -2.495 -11.297
  311    H    GLU  97           H        GLU  97  -1.518  -8.396 -10.435
  312    HA   GLU  97           HA       GLU  97  -0.560 -10.877  -9.202
  313   1HB   GLU  97          2HB       GLU  97  -3.360 -10.050 -10.157
  314   2HB   GLU  97          1HB       GLU  97  -2.946 -11.648  -9.455
  315   1HG   GLU  97          2HG       GLU  97  -2.790  -8.940  -7.965
  316   2HG   GLU  97          1HG       GLU  97  -4.096 -10.173  -7.797
  317    H    GLN  98           H        GLN  98  -0.934 -12.843 -10.461
  318    HA   GLN  98           HA       GLN  98  -0.468 -12.317 -13.277
  319   1HB   GLN  98          2HB       GLN  98  -0.283 -14.906 -11.644
  320   2HB   GLN  98          1HB       GLN  98   0.094 -14.755 -13.396
  321   1HG   GLN  98          2HG       GLN  98   1.940 -13.129 -12.861
  322   2HG   GLN  98          1HG       GLN  98   1.601 -13.339 -11.096
  323   1HE2  GLN  98          2HE2      GLN  98   3.923 -15.987 -13.129
  324   2HE2  GLN  98          1HE2      GLN  98   3.436 -14.437 -13.727
  325    H    THR  99           H        THR  99  -2.920 -13.402 -11.017
  326    HA   THR  99           HA       THR  99  -4.320 -14.888 -13.010
  327    HB   THR  99           HB       THR  99  -4.458 -15.700 -10.760
  328    HG1  THR  99           HG1      THR  99  -6.209 -15.917 -12.161
  329   1HG2  THR  99          1HG2      THR  99  -4.232 -13.490  -9.534
  330   2HG2  THR  99          2HG2      THR  99  -5.922 -13.072 -10.017
  331   3HG2  THR  99          3HG2      THR  99  -5.612 -14.490  -8.963
  332    H    TRP 100           H        TRP 100  -4.393 -11.592 -11.617
  333    HA   TRP 100           HA       TRP 100  -6.717 -10.873 -13.137
  334   1HB   TRP 100          2HB       TRP 100  -4.486  -9.220 -11.833
  335   2HB   TRP 100          1HB       TRP 100  -5.796  -8.490 -12.819
  336    HD1  TRP 100           HD1      TRP 100  -5.696 -10.821  -9.598
  337    HE1  TRP 100           HE1      TRP 100  -7.587 -10.032  -8.065
  338    HE3  TRP 100           HE3      TRP 100  -7.584  -7.150 -12.554
  339    HZ2  TRP 100           HZ2      TRP 100  -9.647  -8.095  -8.129
  340    HZ3  TRP 100           HZ3      TRP 100  -9.521  -5.871 -11.767
  341    HH2  TRP 100           HH2      TRP 100 -10.540  -6.337  -9.594
   
  No H/Q in entry =         341