*HEADER    UNKNOWN FUNCTION                        25-OCT-12   2M0H              
*TITLE     SP-B C-TERMINAL (RESIDUES 59-80) PEPTIDE IN METHANOL                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SP-B, 18 KDA PULMONARY-SURFACTANT PROTEIN, 6 KDA PROTEIN,   
*COMPND   5 PULMONARY SURFACTANT-ASSOCIATED PROTEOLIPID SPL(PHE);                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PULMONARY SURFACTANT-ASSOCIATED PROTEIN B, PEPTIDE FRAGMENTS,         
*KEYWDS   2 MICELLES, DODECYLPHOSPHOCHOLINE, UNKNOWN FUNCTION                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.KUZNETSOVA, J.R.LONG                                                
*REVDAT   1   23-APR-14 2M0H    0                                                



!j coupling data
  !!    60 T
 assign (resid   59 and name c )   (resid  60 and name n ) 
        (resid   60 and name ca)   (resid  60 and name c )  7.4 1.0
  !!    61 L
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  4.8 0.5
  !!    62 L 
 assign (resid   61 and name c )   (resid   62 and name n ) 
        (resid   62 and name ca)   (resid   62 and name c )  4.8 0.5
  !!    65 M
 assign (resid   64 and name c )   (resid   65 and name n ) 
        (resid   65 and name ca)   (resid   65 and name c )  7.35 0.5
  !!    69 L
 assign (resid   68 and name c )   (resid   69 and name n ) 
        (resid   69 and name ca)   (resid   69 and name c )  5.0 0.5
  !!    70 V 
 assign (resid   69 and name c )   (resid   70 and name n ) 
        (resid   70 and name ca)   (resid   70 and name c )  4.8 0.5
  !!    73 L
 assign (resid   72 and name c )   (resid   73 and name n ) 
        (resid   73 and name ca)   (resid   73 and name c )  4.88 0.5
  !!    74 V
 assign (resid   73 and name c )   (resid   74 and name n ) 
        (resid   74 and name ca)   (resid   74 and name c )  4.8 0.5
  !!    75 L 
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c )  4.45 1.0
  !!    76 R
 assign (resid   75 and name c )   (resid   76 and name n ) 
        (resid   76 and name ca)   (resid   76 and name c )  4.45 1.0
  !!    79 M
 assign (resid   78 and name c )   (resid   79 and name n ) 
        (resid   79 and name ca)   (resid   79 and name c )  7.73 1.0
  !!    80 D
 assign (resid   79 and name c )   (resid   80 and name n ) 
        (resid   80 and name ca)   (resid   80 and name c )  8.1 1.0
! intramolecular noes
 assign  (resid   68 and name  HE21)   (resid   68 and name  HE22)  2.5 0.5 1 !Q68HND1#-HND2#  39689148                        intra
 assign  (resid   59 and name  HB2)   (resid   59 and name  HB1)  2.5 0.5 1 !D59HB2#-HB1#  30775096                        intra
 assign  (resid   77 and name  HB2)   (resid   77 and name  HB1)  2.5 0.5 1 !C77HB2#-HB1#  29033058                        intra
 assign  (resid   65 and name  HG1)   (resid   65 and name  HG2)  2.5 0.5 1 !M65HG1#-HG2#  27906078                        intra
 assign  (resid   70 and name  HG1#)   (resid   70 and name  HG2#)  2.5 0.5 1 !V70HG1#-HG2#  26447010                        intra
 assign  (resid   78 and name  HB2)   (resid   78 and name  HB1)  2.5 0.5 1 !S78HB2#-HB1#  26386790                        intra
 assign  (resid   74 and name  HG1#)   (resid   74 and name  HG2#)  2.5 0.5 1 !V74HG1#-HG2#  25615078
 assign  (resid   79 and name  HB2)   (resid   79 and name  HB1)  2.5 0.5 1 !M79HB2#-HB1#  19449086                        intra
 assign  (resid   67 and name  HG1)   (resid   67 and name  HG2)  2.5 0.5 1 !P67HG1#-HG2#  18008592                        intra
 assign  (resid   68 and name  HB2)   (resid   68 and name  HB1)  2.5 0.5 1 !Q68HB2#-HB1#  17395924                        intra
 assign  (resid   63 and name  HA1)   (resid   63 and name  HA2)  2.5 0.5 1 !G63HA1#-HA2#  16634252                        intra
 assign  (resid   73 and name  HB2)   (resid   73 and name  HB1)  2.5 0.5 1 !L73HB2#-HB1#  16133881                        intra
 assign  (resid   67 and name  HB2)   (resid   67 and name  HB1)  2.5 0.5 1 !P67HB2#-HB1#  15609166                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name  HG#)  2.5 0.5 1 !P67HB2#-HG1#  14500766                        intra
 assign  (resid   73 and name   HG)   (resid   73 and name  HB#)  2.5 0.5 1 !L73HG-HB1#  11230865                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HB)  2.5 0.5 1 !V74HG1#-HB  10423257                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name  HB#)  2.5 0.5 1 !R72HG#-HB2#  10369624                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name  HB#)  2.5 0.5 1 !R64HG2#-HB#  9499508                        intra
 assign  (resid   71 and name   HA)   (resid   71 and name   HN)  2.5 0.5 1 !C71HA-HN  9050394                        intra
 assign  (resid   71 and name  HB2)   (resid   71 and name  HB1)  2.5 0.5 1 !C71HB2#-HB1#  8913358                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name  HB#)  2.5 0.5 1 !R64HG1#-HB#  8794530                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HN)  2.5 0.5 1 !R72HB1#-HN  8671095                        intra
 assign  (resid   70 and name   HB)   (resid   70 and name   HN)  2.5 0.5 1 !V70HB-HN  8661677                        intra
 assign  (resid   75 and name  HB1)   (resid   75 and name  HB2)  2.5 0.5 1 !L75HB2#-HB2#  8441148                        intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HN)  2.5 0.5 1 !R76HB#-HN  8193238                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HN)  2.5 0.5 1 !V70HG2#-HN  8160694                        intra
 assign  (resid   63 and name  HA#)   (resid   63 and name   HN)  2.5 0.5 1 !G63HA2#-HN  7499281                        intra
 assign  (resid   66 and name   HA)   (resid   66 and name   HN)  2.5 0.5 1 !L66HA-HN  7493396                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HA)  2.5 0.5 1 !V70HG2#-HA  7409790                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name  HB#)  2.5 0.5 1 !R76HG1#-HB#  7187744                        intra
 assign  (resid   74 and name   HB)   (resid   74 and name   HN)  2.5 0.5 1 !V74HB-HN  7089370                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HB)  2.5 0.5 1 !V70HG1#-HB  6916153                        intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HN)  2.5 0.5 1 !C71HB1#-HN  6850770                        intra
 assign  (resid   69 and name  HB#)   (resid   69 and name   HN)  2.5 0.5 1 !L69HB1#-HN  6674402                        intra
 assign  (resid   63 and name  HA#)   (resid   63 and name   HN)  2.5 0.5 1 !G63HA1#-HN  6660300                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name  HB#)  2.5 0.5 1 !R72HG#-HB#  6545208                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HB)  2.5 0.5 1 !V70HG2#-HB  6512642                        intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HN)  2.5 0.5 1 !R64HB#-HN  6407255                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HA)  2.5 0.5 1 !V74HG2#-HA  6345781                        intra
 assign  (resid   73 and name   HA)   (resid   73 and name   HN)  2.5 0.5 1 !L73HA-HN  6265966                        intra
 assign  (resid   62 and name  HD1#)   (resid   62 and name  HB#)  2.5 0.5 1 !L62HD1#-HB#  6189872                        intra
 assign  (resid   62 and name   HA)   (resid   62 and name   HN)  2.5 0.5 1 !L62HA-HN  6176776                        intra
 assign  (resid   76 and name   HA)   (resid   76 and name   HN)  2.5 0.5 1 !R76HA-HN  6160663                        intra
 assign  (resid   73 and name  HB#)   (resid   73 and name   HN)  2.5 0.5 1 !L73HB1#-HN  6153278                        intra
 assign  (resid   72 and name   HA)   (resid   72 and name   HN)  2.5 0.5 1 !R72HA-HN  6121980                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HA)  2.5 0.5 1 !R72HB1#-HA  6059112                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HN)  2.5 0.5 1 !V74HG2#-HN  5923830                        intra
 assign  (resid   73 and name  HD2#)   (resid   73 and name   HA)  2.5 0.5 1 !L73HD2#-HA  5894370                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name  HB#)  2.5 0.5 1 !R76HG2#-HB#  5784487                        intra
 assign  (resid   65 and name  HB#)   (resid   65 and name   HN)  3.5 1.5 1 !M65HB#-HN  5752520                        intra
 assign  (resid   70 and name   HA)   (resid   70 and name   HN)  3.5 1.5 1 !V70HA-HN  5708146                        intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HA)  3.5 1.5 1 !R76HB#-HA  5698638                        intra
 assign  (resid   75 and name   HA)   (resid   75 and name   HN)  3.5 1.5 1 !L75HA-HN  5692779                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HB#)  3.5 1.5 1 !P67HG2#-HB1#  5667708                        intra
 assign  (resid   64 and name  HB#)   (resid   64 and name  HD#)  3.5 1.5 1 !R64HB#-HD#  5661788                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name  HG#)  3.5 1.5 1 !P67HB2#-HG2#  5623265                        intra
 assign  (resid   62 and name  HD2#)   (resid   62 and name  HB#)  3.5 1.5 1 !L62HD2#-HB#  5610856                        intra
 assign  (resid   69 and name   HA)   (resid   69 and name   HN)  3.5 1.5 1 !L69HA-HN  5544110                        intra
 assign  (resid   75 and name  HD1#)   (resid   75 and name   HA)  3.5 1.5 1 !L75HD1#-HA  5519818                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HB)  3.5 1.5 1 !V74HG2#-HB  5506746                        intra
 assign  (resid   69 and name  HB#)   (resid   69 and name   HN)  3.5 1.5 1 !L69HB2#-HN  5421343                        intra
 assign  (resid   65 and name   HA)   (resid   65 and name   HN)  3.5 1.5 1 !M65HA-HN  5408648                        intra
 assign  (resid   75 and name  HB#)   (resid   75 and name   HN)  3.5 1.5 1 !L75HB1#-HN  5371638                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name  HD#)  3.5 1.5 1 !R72HB1#-HD#  5357212                        intra
 assign  (resid   61 and name  HD2#)   (resid   61 and name   HG)  3.5 1.5 1 !L61HD2#-HG  5285734                        intra
 assign  (resid   64 and name   HA)   (resid   64 and name   HN)  3.5 1.5 1 !R64HA-HN  5275447                        intra
 assign  (resid   75 and name  HB#)   (resid   75 and name   HG)  3.5 1.5 1 !L75HB2#-HG  5247862                        intra
 assign  (resid   75 and name  HB#)   (resid   75 and name   HA)  3.5 1.5 1 !L75HB1#-HA  5000438                        intra
 assign  (resid   75 and name  HD1#)   (resid   75 and name  HB#)  3.5 1.5 1 !L75HD1#-HB1#  4989330                        intra
 assign  (resid   62 and name  HD1#)   (resid   62 and name   HG)  3.5 1.5 1 !L62HD1#-HG  4854473                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name   HA)  3.5 1.5 1 !P67HB1#-HA  4721409                        intra
 assign  (resid   74 and name   HA)   (resid   74 and name   HN)  3.5 1.5 1 !V74HA-HN  4602503                        intra
 assign  (resid   68 and name   HA)   (resid   68 and name   HN)  3.5 1.5 1 !Q68HA-HN  4544108                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name  HD#)  3.5 1.5 1 !R72HB2#-HD#  4406332                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name  HG#)  3.5 1.5 1 !Q68HB1#-HG2#  4400521                        intra
 assign  (resid   78 and name   HA)   (resid   78 and name   HN)  3.5 1.5 1 !S78HA-HN  4384404                        intra
 assign  (resid   75 and name   HG)   (resid   75 and name   HN)  3.5 1.5 1 !L75HG-HN  4318435                        intra
 assign  (resid   75 and name   HG)   (resid   75 and name   HA)  3.5 1.5 1 !L75HG-HA  4265421                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HN)  3.5 1.5 1 !Q68HB1#-HN  4242538                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name  HD#)  3.5 1.5 1 !R72HG#-HD#  4165400                        intra
 assign  (resid   72 and name  HD#)   (resid   72 and name   HE)  3.5 1.5 1 !R72HD#-HE  4145489                        intra
 assign  (resid   73 and name  HB#)   (resid   73 and name   HA)  3.5 1.5 1 !L73HB1#-HA  4072321                        intra
 assign  (resid   61 and name   HA)   (resid   61 and name   HN)  3.5 1.5 1 !L61HA-HN  4041410                        intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HN)  3.5 1.5 1 !C77HB1#-HN  3962414                        intra
 assign  (resid   62 and name  HD2#)   (resid   62 and name   HG)  3.5 1.5 1 !L62HD2#-HG  3958235                        intra
 assign  (resid   73 and name  HD1#)   (resid   73 and name   HA)  3.5 1.5 1 !L73HD1#-HA  3929399                        intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HA)  3.5 1.5 1 !C71HB1#-HA  3896398                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HA)  3.5 1.5 1 !V70HG1#-HA  3770649                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HA)  3.5 1.5 1 !V74HG1#-HA  3757104                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name   HA)  3.5 1.5 1 !Q68HG1#-HA  3726142                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name  HG#)  3.5 1.5 1 !Q68HB1#-HG1#  3654789                        intra
 assign  (resid   65 and name  HB#)   (resid   65 and name  HG#)  3.5 1.5 1 !M65HB#-HG2#  3620704                        intra
 assign  (resid   75 and name  HD2#)   (resid   75 and name   HA)  3.5 1.5 1 !L75HD2#-HA  3617914                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HN)  3.5 1.5 1 !R72HB2#-HN  3610402                        intra
 assign  (resid   77 and name   HA)   (resid   77 and name   HN)  3.5 1.5 1 !C77HA-HN  3557515                        intra
 assign  (resid   73 and name  HB#)   (resid   73 and name   HN)  3.5 1.5 1 !L73HB2#-HN  3429447                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HG1#-HD2#  3271698                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name  HD#)  3.5 1.5 1 !R64HG2#-HD#  3257663                        intra
 assign  (resid   73 and name  HD2#)   (resid   73 and name  HB#)  3.5 1.5 1 !L73HD2#-HB1#  3236030                        intra
 assign  (resid   69 and name  HB#)   (resid   69 and name   HA)  3.5 1.5 1 !L69HB1#-HA  3217856                        intra
 assign  (resid   64 and name  HD#)   (resid   64 and name   HE)  3.5 1.5 1 !R64HD#-HE  3212168                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HB2#-HD2#  3188060                        intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HA)  3.5 1.5 1 !C71HB2#-HA  3160112                        intra
 assign  (resid   61 and name  HD1#)   (resid   61 and name   HG)  3.5 1.5 1 !L61HD1#-HG  3134781                        intra
 assign  (resid   60 and name  HG#)   (resid   60 and name   HA)  3.5 1.5 1 !T60HG#-HA  3049354                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name  HD#)  3.5 1.5 1 !R64HG1#-HD#  3010413                        intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HA)  3.5 1.5 1 !R64HB#-HA  2941014                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name   HA)  3.5 1.5 1 !P67HG2#-HA  2903627                        intra
 assign  (resid   78 and name  HB#)   (resid   78 and name   HN)  3.5 1.5 1 !S78HB1#-HN  2848832                        intra
 assign  (resid   73 and name   HG)   (resid   73 and name   HA)  3.5 1.5 1 !L73HG-HA  2832179                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HN)  3.5 1.5 1 !Q68HB2#-HN  2828483                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HA)  3.5 1.5 1 !R72HB2#-HA  2790666                        intra
 assign  (resid   60 and name  HG#)   (resid   60 and name   HB)  3.5 1.5 1 !T60HG#-HB  2773542                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HB#)  3.5 1.5 1 !P67HG1#-HB1#  2706862                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name   HA)  3.5 1.5 1 !P67HG1#-HA  2668568                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name   HA)  3.5 1.5 1 !R72HG#-HA  2664166                        intra
 assign  (resid   73 and name   HG)   (resid   73 and name   HN)  3.5 1.5 1 !L73HG-HN  2647844                        intra
 assign  (resid   69 and name  HD1#)   (resid   69 and name   HA)  3.5 1.5 1 !L69HD1#-HA  2636921                        intra
 assign  (resid   75 and name  HB#)   (resid   75 and name   HN)  3.5 1.5 1 !L75HB2#-HN  2636056                        intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HN)  3.5 1.5 1 !C71HB2#-HN  2591062                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HG2#-HD1#  2555341                        intra
 assign  (resid   66 and name  HD2#)   (resid   66 and name  HB#)  3.5 1.5 1 !L66HD2#-HB1#  2554215                        intra
 assign  (resid   60 and name  HG#)   (resid   60 and name   HN)  3.5 1.5 1 !T60HG#-HN  2488928                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HA)  3.5 1.5 1 !Q68HB2#-HA  2461185                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HG2#-HD2#  2439883                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name  HG#)  3.5 1.5 1 !Q68HB2#-HG2#  2405928                        intra
 assign  (resid   75 and name  HB#)   (resid   75 and name   HA)  3.5 1.5 1 !L75HB2#-HA  2404581                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HB2#-HD1#  2386057                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HA)  3.5 1.5 1 !R76HG2#-HA  2376974                        intra
 assign  (resid   67 and name  HB#)   (resid   67 and name   HA)  3.5 1.5 1 !P67HB2#-HA  2273769                        intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HA)  3.5 1.5 1 !C77HB2#-HA  2241098                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HA)  3.5 1.5 1 !Q68HB1#-HA  2239692                        intra
 assign  (resid   68 and name  HB#)   (resid   68 and name  HG#)  3.5 1.5 1 !Q68HB2#-HG1#  2237303                        intra
 assign  (resid   73 and name  HB#)   (resid   73 and name   HA)  3.5 1.5 1 !L73HB2#-HA  2222497                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HN)  3.5 1.5 1 !R64HG1#-HN  2178114                        intra
 assign  (resid   67 and name  HG#)   (resid   67 and name  HD#)  3.5 1.5 1 !P67HG1#-HD1#  2134126                        intra
 assign  (resid   78 and name  HB#)   (resid   78 and name   HN)  3.5 1.5 1 !S78HB2#-HN  2123739                        intra
 assign  (resid   78 and name  HB#)   (resid   78 and name   HA)  3.5 1.5 1 !S78HB1#-HA  2057682                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HN)  3.5 1.5 1 !R76HG1#-HN  2007049                        intra
 assign  (resid   77 and name   HG)   (resid   77 and name   HN)  3.5 1.5 1 !C77HS-HN  1997368                        intra
 assign  (resid   71 and name   HG)   (resid   71 and name   HN)  3.5 1.5 1 !C71HS-HN  1957813                        intra
 assign  (resid   74 and name  HG#)   (resid   74 and name   HN)  3.5 1.5 1 !V74HG1#-HN  1935980                        intra
 assign  (resid   70 and name  HG#)   (resid   70 and name   HN)  3.5 1.5 1 !V70HG1#-HN  1897850                        intra
 assign  (resid   78 and name  HB#)   (resid   78 and name   HA)  3.5 1.5 1 !S78HB2#-HA  1870323                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name   HN)  3.5 1.5 1 !R72HG#-HN  1777796                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HA)  3.5 1.5 1 !R76HG1#-HA  1772780                        intra
 assign  (resid   76 and name  HD#)   (resid   76 and name   HE)  3.5 1.5 1 !R76HD2#-HE  1728677                        intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HA)  3.5 1.5 1 !C77HB1#-HA  1722831                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HN)  3.5 1.5 1 !R64HG2#-HN  1716613                        intra
 assign  (resid   69 and name  HD2#)   (resid   69 and name   HA)  3.5 1.5 1 !L69HD2#-HA  1557242                        intra
 assign  (resid   66 and name  HD1#)   (resid   66 and name  HB#)  3.5 1.5 1 !L66HD1#-HB1#  1524610                        intra
 assign  (resid   79 and name  HB#)   (resid   79 and name   HN)  3.5 1.5 1 !M79HB2#-HN  1484898                        intra
 assign  (resid   79 and name   HA)   (resid   79 and name   HN)  3.5 1.5 1 !M79HA-HN  1466171                        intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HN)  3.5 1.5 1 !C77HB2#-HN  1452084                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name   HN)  3.5 1.5 1 !Q68HG1#-HN  1411216                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HA)  3.5 1.5 1 !R64HG2#-HA  1366063                        intra
 assign  (resid   66 and name  HD2#)   (resid   66 and name   HA)  3.5 1.5 1 !L66HD2#-HA  1341260                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HE)  3.5 1.5 1 !R72HB1#-HE  1293710                        intra
 assign  (resid   75 and name  HD1#)   (resid   75 and name   HN)  3.5 1.5 1 !L75HD1#-HN  1275936                        intra
 assign  (resid   69 and name   HG)   (resid   69 and name   HA)  3.5 1.5 1 !L69HG-HA  1271572                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name   HN)  3.5 1.5 1 !Q68HG2#-HN  1238019                        intra
 assign  (resid   67 and name  HD#)   (resid   67 and name   HA)  3.5 1.5 1 !P67HD2#-HA  1222070                        intra
 assign  (resid   66 and name  HD2#)   (resid   66 and name   HN)  3.5 1.5 1 !L66HD2#-HN  1205619                        intra
 assign  (resid   65 and name  HG#)   (resid   65 and name   HN)  3.5 1.5 1 !M65HG1#-HN  1196005                        intra
 assign  (resid   65 and name  HG#)   (resid   65 and name   HN)  3.5 1.5 1 !M65HG2#-HN  1190509                        intra
 assign  (resid   73 and name  HD2#)   (resid   73 and name   HN)  3.5 1.5 1 !L73HD2#-HN  1179341                        intra
 assign  (resid   72 and name  HD#)   (resid   72 and name   HA)  3.5 1.5 1 !R72HD#-HA  1138412                        intra
 assign  (resid   77 and name   HG)   (resid   77 and name  HB#)  3.5 1.5 1 !C77HS-HB2#  1121590                        intra
 assign  (resid   69 and name  HD2#)   (resid   69 and name   HN)  4.5 2.5 1.5 !L69HD2#-HN  1056656                        intra
 assign  (resid   59 and name  HB#)   (resid   59 and name   HA)  4.5 2.5 1.5 !D59HB1#-HA  1048720                        intra
 assign  (resid   72 and name  HG#)   (resid   72 and name   HE)  4.5 2.5 1.5 !R72HG#-HE  985875                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HN)  4.5 2.5 1.5 !R76HG2#-HN  976015                        intra
 assign  (resid   69 and name   HG)   (resid   69 and name   HN)  4.5 2.5 1.5 !L69HG-HN  937222                        intra
 assign  (resid   67 and name  HD#)   (resid   67 and name   HA)  4.5 2.5 1.5 !P67HD1#-HA  903395                        intra
 assign  (resid   76 and name  HD#)   (resid   76 and name   HA)  4.5 2.5 1.5 !R76HD#-HA  869113                        intra
 assign  (resid   61 and name  HD1#)   (resid   61 and name   HA)  4.5 2.5 1.5 !L61HD1#-HA  865067                        intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HE)  4.5 2.5 1.5 !R72HB2#-HE  858367                        intra
 assign  (resid   64 and name  HD#)   (resid   64 and name   HA)  4.5 2.5 1.5 !R64HD#-HA  839543                        intra
 assign  (resid   62 and name  HD2#)   (resid   62 and name   HA)  4.5 2.5 1.5 !L62HD2#-HA  835005                        intra
 assign  (resid   60 and name   HA)   (resid   60 and name   HN)  4.5 2.5 1.5 !T60HA-HN  802548                        intra
 assign  (resid   74 and name   HB)   (resid   74 and name   HA)  4.5 2.5 1.5 !V74HB-HA  795721                        intra
 assign  (resid   66 and name  HD1#)   (resid   66 and name   HN)  4.5 2.5 1.5 !L66HD1#-HN  788528                        intra
 assign  (resid   69 and name  HD1#)   (resid   69 and name   HN)  4.5 2.5 1.5 !L69HD1#-HN  769232                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name  HE22)  4.5 2.5 1.5 !Q68HG1#-HND2  742064                        intra
 assign  (resid   75 and name  HD2#)   (resid   75 and name   HN)  4.5 2.5 1.5 !L75HD2#-HN  721379                        intra
 assign  (resid   62 and name  HD1#)   (resid   62 and name   HA)  4.5 2.5 1.5 !L62HD1#-HA  719668                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name  HE22)  4.5 2.5 1.5 !Q68HG2#-HND2  702024                        intra
 assign  (resid   62 and name  HD2#)   (resid   62 and name   HN)  4.5 2.5 1.5 !L62HD2#-HN  680813                        intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HA)  4.5 2.5 1.5 !R64HG1#-HA  670910                        intra
 assign  (resid   61 and name  HD2#)   (resid   61 and name   HA)  4.5 2.5 1.5 !L61HD2#-HA  653388                        intra
 assign  (resid   66 and name  HD1#)   (resid   66 and name   HA)  4.5 2.5 1.5 !L66HD1#-HA  637264                        intra
 assign  (resid   80 and name  HB#)   (resid   80 and name   HA)  4.5 2.5 1.5 !D80HB1#-HA  558946                        intra
 assign  (resid   64 and name  HD#)   (resid   64 and name   HN)  4.5 2.5 1.5 !R64HD#-HN  548075                        intra
 assign  (resid   62 and name  HD1#)   (resid   62 and name   HN)  4.5 2.5 1.5 !L62HD1#-HN  529810                        intra
 assign  (resid   73 and name  HD1#)   (resid   73 and name   HN)  4.5 2.5 1.5 !L73HD1#-HN  527296                        intra
 assign  (resid   79 and name  HG#)   (resid   79 and name   HA)  4.5 2.5 1.5 !M79HG2#-HA  524657                        intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HE)  4.5 2.5 1.5 !R76HB#-HE  523181                        intra
 assign  (resid   65 and name  HG#)   (resid   65 and name   HA)  4.5 2.5 1.5 !M65HG1#-HA  485889                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HE)  4.5 2.5 1.5 !R76HG1#-HE  467270                        intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HE)  4.5 2.5 1.5 !R76HG2#-HE  453234                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name  HE21)  4.5 2.5 1.5 !Q68HG2#-HND1  445712                        intra
 assign  (resid   79 and name  HB#)   (resid   79 and name   HN)  4.5 2.5 1.5 !M79HB1#-HN  394039                        intra
 assign  (resid   80 and name  HB#)   (resid   80 and name   HN)  4.5 2.5 1.5 !D80HB2#-HN  342709                        intra
 assign  (resid   76 and name   HA)   (resid   76 and name   HE)  4.5 2.5 1.5 !R76HA-HE  289768                        intra
 assign  (resid   79 and name  HG#)   (resid   79 and name   HN)  4.5 2.5 1.5 !M79HG1#-HN  277912                        intra
 assign  (resid   68 and name  HG#)   (resid   68 and name  HE21)  4.5 2.5 1.5 !Q68HG1#-HND1  257390                        intra
 assign  (resid   61 and name  HD1#)   (resid   61 and name   HN)  4.5 2.5 1.5 !L61HD1#-HN  216193                        intra
 assign  (resid   59 and name   HA)   (resid   59 and name  HB#)  4.5 2.5 1.5 !D59HA-HB2#  172782                        intra

! sequential noes

 assign  (resid   60 and name   HA)   (resid   61 and name   HN)  2.5 0.5 1 !T60HA-L61HN  13652350         1.32e+08       sqntl
 assign  (resid   72 and name   HN)   (resid   71 and name   HN)  2.5 0.5 1 !R72HN-C71HN  10780770                        sqntl
 assign  (resid   65 and name   HN)   (resid   66 and name   HN)  2.5 0.5 1 !M65HN-L66HN  9974617         9.86e+07       sqntl
 assign  (resid   72 and name   HN)   (resid   73 and name   HN)  2.5 0.5 1 !R72HN-L73HN  9104509         1.06e+08       sqntl
 assign  (resid   71 and name   HN)   (resid   70 and name   HN)  2.5 0.5 1 !C71HN-V70HN  8475499         1.34e+08       sqntl
 assign  (resid   68 and name   HN)   (resid   69 and name   HN)  2.5 0.5 1 !Q68HN-L69HN  8148102         1.03e+08       sqntl
 assign  (resid   69 and name   HN)   (resid   70 and name   HN)  2.5 0.5 1 !L69HN-V70HN  7795294         8.00e+07       sqntl
 assign  (resid   59 and name   HA)   (resid   60 and name   HN)  2.5 0.5 1 !D59HA-T60HN  7477435         9.15e+07       sqntl
 assign  (resid   72 and name   HA)   (resid   73 and name   HN)  2.5 0.5 1 !R72HA-L73HN  7444020         7.04e+07       sqntl
 assign  (resid   70 and name   HB)   (resid   71 and name   HN)  2.5 0.5 1 !V70HB-C71HN  5907983         6.29e+07       sqntl
 assign  (resid   73 and name   HN)   (resid   74 and name   HN)  2.5 0.5 1 !L73HN-V74HN  5845681         6.04e+07       sqntl
 assign  (resid   75 and name   HN)   (resid   74 and name   HN)  2.5 0.5 1 !L75HN-V74HN  5764288         6.79e+07       sqntl
 assign  (resid   75 and name   HA)   (resid   76 and name   HN)  3.5 1.5 1 !L75HA-R76HN  4798642         3.23e+07       sqntl
 assign  (resid   67 and name  HD#)   (resid   66 and name   HN)  3.5 1.5 1 !P67HD1#-L66HN  4665778         4.01e+07       sqntl
 assign  (resid   62 and name   HN)   (resid   61 and name   HN)  3.5 1.5 1 !L62HN-L61HN  4529978         3.77e+07       sqntl
 assign  (resid   74 and name   HB)   (resid   75 and name   HN)  3.5 1.5 1 !V74HB-L75HN  4353100         7.42e+07       sqntl
 assign  (resid   78 and name   HN)   (resid   77 and name   HN)  3.5 1.5 1 !S78HN-C77HN  4299134         4.98e+07       sqntl
 assign  (resid   77 and name   HN)   (resid   76 and name   HN)  3.5 1.5 1 !C77HN-R76HN  4293642         5.20e+07       sqntl
 assign  (resid   64 and name   HN)   (resid   63 and name   HN)  3.5 1.5 1 !R64HN-G63HN  4054867         5.37e+07       sqntl
 assign  (resid   79 and name   HN)   (resid   78 and name   HN)  3.5 1.5 1 !M79HN-S78HN  3990642         4.83e+07       sqntl
 assign  (resid   72 and name  HB#)   (resid   73 and name   HN)  3.5 1.5 1 !R72HB1#-L73HN  3905928         6.56e+07       sqntl
 assign  (resid   62 and name   HA)   (resid   63 and name   HN)  3.5 1.5 1 !L62HA-G63HN  3779212         3.77e+07       sqntl
 assign  (resid   65 and name   HA)   (resid   66 and name   HN)  3.5 1.5 1 !M65HA-L66HN  3637777         2.77e+07       sqntl
 assign  (resid   61 and name   HA)   (resid   62 and name   HN)  3.5 1.5 1 !L61HA-L62HN  3348808         2.86e+07       sqntl
 assign  (resid   67 and name  HB#)   (resid   68 and name   HN)  3.5 1.5 1 !P67HB2#-Q68HN  3053456         5.39e+07       sqntl
 assign  (resid   76 and name  HB#)   (resid   77 and name   HN)  3.5 1.5 1 !R76HB#-C77HN  3048913         3.69e+07       sqntl
 assign  (resid   69 and name  HB#)   (resid   70 and name   HN)  3.5 1.5 1 !L69HB1#-V70HN  3002898         5.08e+07       sqntl
 assign  (resid   64 and name  HB#)   (resid   65 and name   HN)  3.5 1.5 1 !R64HB#-M65HN  2810367         5.98e+07       sqntl
 assign  (resid   71 and name   HA)   (resid   72 and name   HN)  3.5 1.5 1 !C71HA-R72HN  2636051         1.54e+07       sqntl
 assign  (resid   68 and name  HB#)   (resid   69 and name   HN)  3.5 1.5 1 !Q68HB1#-L69HN  2592797         3.60e+07       sqntl
 assign  (resid   69 and name  HB#)   (resid   70 and name   HN)  3.5 1.5 1 !L69HB2#-V70HN  2535371         3.74e+07       sqntl
 assign  (resid   68 and name  HB#)   (resid   69 and name   HN)  3.5 1.5 1 !Q68HB2#-L69HN  2473644         3.92e+07       sqntl
 assign  (resid   65 and name  HB#)   (resid   66 and name   HN)  3.5 1.5 1 !M65HB#-L66HN  2469848         3.89e+07       sqntl
 assign  (resid   63 and name  HA#)   (resid   64 and name   HN)  3.5 1.5 1 !G63HA2#-R64HN  2416122         5.18e+07       sqntl
 assign  (resid   76 and name   HA)   (resid   77 and name   HN)  3.5 1.5 1 !R76HA-C77HN  2400856         4.61e+07       sqntl
 assign  (resid   71 and name  HB#)   (resid   72 and name   HN)  3.5 1.5 1 !C71HB1#-R72HN  2255159         3.02e+07       sqntl
 assign  (resid   75 and name  HB#)   (resid   76 and name   HN)  3.5 1.5 1 !L75HB1#-R76HN  2218836         6.32e+07       sqntl
 assign  (resid   79 and name   HN)   (resid   80 and name   HN)  3.5 1.5 1 !M79HN-D80HN  2103038         2.79e+07       sqntl
 assign  (resid   70 and name   HB)   (resid   71 and name   HA)  3.5 1.5 1 !V70HB-C71HA  2048815                        sqntl
 assign  (resid   61 and name   HN)   (resid   60 and name   HN)  3.5 1.5 1 !L61HN-T60HN  2030026                        sqntl
 assign  (resid   73 and name  HB#)   (resid   74 and name   HN)  3.5 1.5 1 !L73HB1#-V74HN  2001226         2.46e+07       sqntl
 assign  (resid   75 and name  HB#)   (resid   76 and name   HN)  3.5 1.5 1 !L75HB2#-R76HN  1887482         4.68e+07       sqntl
 assign  (resid   68 and name   HA)   (resid   69 and name   HN)  3.5 1.5 1 !Q68HA-L69HN  1833486                        sqntl
 assign  (resid   69 and name   HA)   (resid   70 and name   HN)  3.5 1.5 1 !L69HA-V70HN  1821451         2.38e+07       sqntl
 assign  (resid   70 and name   HA)   (resid   71 and name   HN)  3.5 1.5 1 !V70HA-C71HN  1711930         1.19e+07       sqntl
 assign  (resid   70 and name  HG#)   (resid   71 and name   HN)  3.5 1.5 1 !V70HG1#-C71HN  1642939         2.76e+07       sqntl
 assign  (resid   67 and name  HG#)   (resid   68 and name   HN)  3.5 1.5 1 !P67HG2#-Q68HN  1636546         1.67e+07       sqntl
 assign  (resid   73 and name  HB#)   (resid   74 and name   HN)  3.5 1.5 1 !L73HB2#-V74HN  1617984         1.82e+07       sqntl
 assign  (resid   74 and name  HG#)   (resid   75 and name   HN)  3.5 1.5 1 !V74HG1#-L75HN  1616774         2.08e+07       sqntl
 assign  (resid   72 and name   HB#)   (resid   73 and name   HN)  3.5 1.5 1 !R72HB2#-L73HN  1533854                 sqntl 
 assign  (resid   73 and name   HA)   (resid   74 and name   HN)  3.5 1.5 1 !L73HA-V74HN  1518817         1.89e+07       sqntl
 assign  (resid   71 and name  HB#)   (resid   72 and name   HN)  3.5 1.5 1 !C71HB2#-R72HN  1485154         1.60e+07       sqntl
 assign  (resid   77 and name   HA)   (resid   78 and name   HN)  3.5 1.5 1 !C77HA-S78HN  1435370         2.60e+07       sqntl
 assign  (resid   74 and name   HB)   (resid   73 and name   HN)  3.5 1.5 1 !V74HB-L73HN  1373554                        sqntl
 assign  (resid   66 and name   HA)   (resid   65 and name   HN)  3.5 1.5 1 !L66HA-M65HN  1306829         2.82e+07       sqntl
 assign  (resid   74 and name  HG#)   (resid   75 and name   HN)  3.5 1.5 1 !V74HG2#-L75HN  1266007         1.92e+07       sqntl
 assign  (resid   76 and name  HB#)   (resid   75 and name   HN)  3.5 1.5 1 !R76HB#-L75HN  1263904         2.61e+07       sqntl
 assign  (resid   74 and name   HA)   (resid   75 and name   HN)  3.5 1.5 1 !V74HA-L75HN  1243481         1.52e+07       sqntl
 assign  (resid   70 and name  HG2#)   (resid   71 and name   HN)  3.5 1.5 1 !V70HG2#-C71HN  1217909         1.38e+07       sqntl
 assign  (resid   78 and name   HA)   (resid   79 and name   HN)  3.5 1.5 1 !S78HA-M79HN  1211542         1.68e+07       sqntl
 assign  (resid   79 and name   HA)   (resid   80 and name   HN)  3.5 1.5 1 !M79HA-D80HN  1144765         2.18e+07       sqntl
 assign  (resid   62 and name  HD2#)   (resid   63 and name   HN)  3.5 1.5 1 !L62HD2#-G63HN  1132170                        sqntl
 assign  (resid   59 and name  HB#)   (resid   60 and name   HN)  4.5 2.5 1.5 !D59HB1#-T60HN  1047311         1.69e+07       sqntl
 assign  (resid   69 and name  HD1#)   (resid   70 and name   HN)  4.5 2.5 1.5 !L69HD1#-V70HN  1038434         8.02e+06       sqntl
 assign  (resid   71 and name   HA)   (resid   70 and name   HN)  4.5 2.5 1.5 !C71HA-V70HN  1003848         2.01e+07       sqntl
 assign  (resid   77 and name  HB#)   (resid   78 and name   HN)  4.5 2.5 1.5 !C77HB1#-S78HN  985212         1.33e+07       sqntl
 assign  (resid   74 and name  HG#)   (resid   73 and name   HN)  4.5 2.5 1.5 !V74HG2#-L73HN  972386         5.51e+06       sqntl
 assign  (resid   59 and name  HB#)   (resid   60 and name   HN)  4.5 2.5 1.5 !D59HB2#-T60HN  863714         1.77e+07       sqntl
 assign  (resid   66 and name   HD2#)   (resid   65 and name   HN)  4.5 2.5 1.5 !L66HD2#-M65HN  851755                 sqntl
 assign  (resid   67 and name  HB#)   (resid   68 and name   HN)  4.5 2.5 1.5 !P67HB1#-Q68HN  768409         2.03e+07       sqntl
 assign  (resid   74 and name  HG#)   (resid   73 and name   HN)  4.5 2.5 1.5 !V74HG1#-L73HN  739675                        sqntl
 assign  (resid   67 and name  HD#)   (resid   66 and name   HA)  4.5 2.5 1.5 !P67HD#-L66HA  708697                        sqntl
 assign  (resid   60 and name  HG#)   (resid   61 and name   HN)  4.5 2.5 1.5 !T60HG#-L61HN  690798         4.92e+06       sqntl
 assign  (resid   68 and name  HG#)   (resid   69 and name   HN)  4.5 2.5 1.5 !Q68HG1#-L69HN  662430         1.54e+07       sqntl
 assign  (resid   68 and name  HG#)   (resid   69 and name   HN)  4.5 2.5 1.5 !Q68HG2#-L69HN  612945                        sqntl
 assign  (resid   77 and name  HB#)   (resid   78 and name   HN)  4.5 2.5 1.5 !C77HB2#-S78HN  574584                        sqntl
 assign  (resid   74 and name   HA)   (resid   73 and name  HN)  4.5 2.5 1.5 !!V74HA-L73HN  556170                        sqntl
 assign  (resid   68 and name  HB#)   (resid   69 and name   HA)  4.5 2.5 1.5 !Q68HB2#-L69HA  540017         4.91e+06       sqntl
 assign  (resid   67 and name  HD#)   (resid   66 and name   HA)  4.5 2.5 1.5 !P67HD#-L66HA  538305                        sqntl
 assign  (resid   74 and name   HB)   (resid   75 and name   HA)  4.5 2.5 1.5 !V74HB-L75HA  484699         8.20e+06       sqntl
 assign  (resid   70 and name  HG2#)   (resid   69 and name   HN)  4.5 2.5 1.5 !V70HG2#-L69HN  484224         4.10e+06       sqntl
 assign  (resid   76 and name  HG#)   (resid   75 and name   HN)  4.5 2.5 1.5 !R76HG2#-L75HN  437893         1.16e+07       sqntl
 assign  (resid   73 and name   HG)   (resid   74 and name   HN)  4.5 2.5 1.5 !L73HG-V74HN  376661         4.47e+06       sqntl
 assign  (resid   71 and name   HG)   (resid   72 and name   HN)  4.5 2.5 1.5 !C71HS-R72HN  374352                        sqntl
 assign  (resid   71 and name   HG)   (resid   70 and name   HN)  4.5 2.5 1.5 !C71HS-V70HN  369755         4.71e+06       sqntl
 assign  (resid   78 and name  HB#)   (resid   79 and name   HN)  4.5 2.5 1.5 !S78HB1#-M79HN  363491                        sqntl
 assign  (resid   64 and name  HD#)   (resid   65 and name   HN)  4.5 2.5 1.5 !R64HD#-M65HN  362962                        sqntl
 assign  (resid   67 and name  HB#)   (resid   66 and name   HN)  4.5 2.5 1.5 !P67HB1#-L66HN  339096                        sqntl
 assign  (resid   70 and name   HA)   (resid   69 and name   HN)  4.5 2.5 1.5 !V70HA-L69HN  338833         3.86e+06       sqntl
 assign  (resid   74 and name  HG#)   (resid   75 and name   HA)  4.5 2.5 1.5 !V74HG2#-L75HA  324805                        sqntl
 assign  (resid   73 and name  HD1#)   (resid   74 and name   HN)  4.5 2.5 1.5 !L73HD1#-V74HN  321145                        sqntl
 assign  (resid   72 and name  HD#)   (resid   73 and name   HN)  4.5 2.5 1.5 !R72HD#-L73HN  317403         3.89e+06       sqntl
 assign  (resid   74 and name  HG#)   (resid   73 and name   HA)  4.5 2.5 1.5 !V74HG2#-L73HA  308475                        sqntl
 assign  (resid   65 and name  HG#)   (resid   66 and name   HN)  4.5 2.5 1.5 !M65HG2#-L66HN  288810                        sqntl
 assign  (resid   71 and name  HB#)   (resid   70 and name   HN)  4.5 2.5 1.5 !C71HB1#-V70HN  272584                        sqntl
 assign  (resid   78 and name  HB#)   (resid   79 and name   HN)  4.5 2.5 1.5 !S78HB2#-M79HN  270144         2.93e+06       sqntl

! medium range noes

 assign  (resid   76 and name  HB#)   (resid   73 and name   HA)  3.5 1.5 1 !R76HB#-L73HA  4883788                        medrange
!violation 315 (should be 5.5A) 
!!assign  (resid   72 and name  HB#)   (resid   75 and name   HA)  3.5 1.5 1 !R72HB1#-L75HA  4460250         7.74e+07       medrange
 assign  (resid   74 and name   HB)   (resid   71 and name   HN)  3.5 1.5 1 !V74HB-C71HN  4469593                        medrange
 assign  (resid   74 and name   HB)   (resid   71 and name   HA)  3.5 1.5 1 !V74HB-C71HA  4087778                        medrange
 assign  (resid   77 and name   HN)   (resid   74 and name   HN)  3.5 1.5 1 !C77HN-V74HN  3749150                        medrange
!violation 318 (should be 5.3A) 
!!assign  (resid   71 and name   HN)   (resid   75 and name   HN)  3.5 1.5 1 !C71HN-L75HN  2888087                        medrange
 assign  (resid   71 and name  HB#)   (resid   68 and name   HA)  3.5 1.5 1 !C71HB1#-Q68HA  2700636         7.30e+07       medrange
 assign  (resid   66 and name   HA)   (resid   69 and name   HN)  3.5 1.5 1 !L66HA-L69HN  2686606         3.72e+07       medrange
 assign  (resid   75 and name  HB#)   (resid   72 and name   HA)  3.5 1.5 1 !L75HB1#-R72HA  2639271                        medrange
 assign  (resid   77 and name  HB#)   (resid   74 and name   HA)  3.5 1.5 1 !C77HB1#-V74HA  2482638         6.74e+07       medrange
 assign  (resid   70 and name   HA)   (resid   73 and name   HN)  3.5 1.5 1 !V70HA-L73HN  2426092         2.94e+07       medrange
 assign  (resid   73 and name  HB#)   (resid   70 and name   HA)  3.5 1.5 1 !L73HB1#-V70HA  2386906                        medrange
 assign  (resid   69 and name   HA)   (resid   72 and name   HN)  3.5 1.5 1 !L69HA-R72HN  2331335         4.36e+07       medrange
 assign  (resid   75 and name  HB#)   (resid   72 and name   HA)  3.5 1.5 1 !L75HB2#-R72HA  2154138         3.04e+07       medrange
 assign  (resid   72 and name   HA)   (resid   75 and name   HN)  3.5 1.5 1 !R72HA-L75HN  1968710         2.91e+07       medrange
 assign  (resid   71 and name  HB#)   (resid   68 and name   HA)  3.5 1.5 1 !C71HB2#-Q68HA  1871434                        medrange
 assign  (resid   74 and name  HG#)   (resid   71 and name   HA)  3.5 1.5 1 !V74HG2#-C71HA  1646332         2.53e+07       medrange
 assign  (resid   74 and name  HG#)   (resid   77 and name   HN)  3.5 1.5 1 !V74HG1#-C77HN  1613841                        medrange
 assign  (resid   71 and name   HA)   (resid   74 and name   HN)  3.5 1.5 1 !C71HA-V74HN  1560996         2.02e+07       medrange
 assign  (resid   75 and name   HG)   (resid   72 and name   HA)  3.5 1.5 1 !L75HG-R72HA  1503097         1.46e+07       medrange
 assign  (resid   74 and name  HG#)   (resid   71 and name   HA)  3.5 1.5 1 !V74HG1#-C71HA  1485650         2.77e+07       medrange
 assign  (resid   70 and name   HA)   (resid   74 and name   HN)  3.5 1.5 1 !V70HA-V74HN  1353572         9.17e+06       medrange
 assign  (resid   71 and name   HA)   (resid   75 and name   HN)  3.5 1.5 1 !C71HA-L75HN  1278223         8.59e+06       medrange
 assign  (resid   62 and name   HA)   (resid   65 and name   HN)  3.5 1.5 1 !L62HA-M65HN  1254834         2.95e+07       medrange
 assign  (resid   74 and name   HA)   (resid   77 and name   HN)  3.5 1.5 1 !V74HA-C77HN  1248778         1.97e+07       medrange
 assign  (resid   75 and name   HA)   (resid   78 and name   HN)  3.5 1.5 1 !L75HA-S78HN  1230242         2.26e+07       medrange
 assign  (resid   73 and name  HB#)   (resid   70 and name   HA)  3.5 1.5 1 !L73HB2#-V70HA  1180544                        medrange
 assign  (resid   61 and name   HA)   (resid   64 and name   HN)  3.5 1.5 1 !L61HA-R64HN  1103883         1.82e+07       medrange
 assign  (resid   72 and name   HA)   (resid   76 and name   HN)  4.5 2.5 1.5 !R72HA-R76HN  1040759         1.32e+07       medrange
 assign  (resid   72 and name  HB#)   (resid   69 and name   HN)  4.5 2.5 1.5 !R72HB1#-L69HN  1034048                        medrange
 assign  (resid   66 and name   HA)   (resid   70 and name   HN)  4.5 2.5 1.5 !L66HA-V70HN  1032090         1.26e+07       medrange
 assign  (resid   62 and name  HD2#)   (resid   65 and name   HN)  4.5 2.5 1.5 !L62HD2#-M65HN  990071         1.14e+07       medrange
 assign  (resid   64 and name  HB#)   (resid   61 and name   HA)  4.5 2.5 1.5 !R64HB#-L61HA  925157         1.51e+07       medrange
 assign  (resid   62 and name   HA)   (resid   66 and name   HN)  4.5 2.5 1.5 !L62HA-L66HN  916284         1.11e+07       medrange
 assign  (resid   77 and name  HB#)   (resid   74 and name   HA)  4.5 2.5 1.5 !C77HB2#-V74HA  904743                        medrange
 assign  (resid   71 and name  HB#)   (resid   73 and name   HN)  4.5 2.5 1.5 !C71HB1#-L73HN  893896         1.14e+07       medrange
 assign  (resid   65 and name  HB#)   (resid   62 and name   HA)  4.5 2.5 1.5 !M65HB#-L62HA  869274         2.87e+07       medrange
 assign  (resid   68 and name   HN)   (resid   70 and name   HN)  4.5 2.5 1.5 !Q68HN-V70HN  850615         1.13e+07       medrange
 assign  (resid   70 and name  HG2#)   (resid   73 and name   HN)  4.5 2.5 1.5 !V70HG2#-L73HN  835564         9.25e+06       medrange
 assign  (resid   73 and name  HB#)   (resid   70 and name   HN)  4.5 2.5 1.5 !L73HB2#-V70HN  831726                        medrange
 assign  (resid   67 and name  HD#)   (resid   65 and name   HN)  4.5 2.5 1.5 !P67HD1#-M65HN  801019         8.06e+06       medrange
 assign  (resid   63 and name   HN)   (resid   60 and name   HN)  4.5 2.5 1.5 !G63HN-T60HN  764506         9.55e+06       medrange
 assign  (resid   74 and name   HB)   (resid   76 and name   HN)  4.5 2.5 1.5 !V74HB-R76HN  696993         1.43e+07       medrange
 assign  (resid   72 and name   HN)   (resid   74 and name   HN)  4.5 2.5 1.5 !R72HN-V74HN  672567         8.13e+06       medrange
 assign  (resid   63 and name  HA#)   (resid   60 and name   HN)  4.5 2.5 1.5 !G63HA2#-T60HN  657412         1.15e+07       medrange
 assign  (resid   67 and name  HD#)   (resid   69 and name   HN)  4.5 2.5 1.5 !P67HD1#-L69HN  645602         6.63e+06       medrange
 assign  (resid   63 and name   HN)   (resid   61 and name   HN)  4.5 2.5 1.5 !G63HN-L61HN  644369         8.92e+06       medrange
 assign  (resid   77 and name  HB#)   (resid   73 and name   HN)  4.5 2.5 1.5 !C77HB1#-L73HN  634163                        medrange
 assign  (resid   70 and name   HB)   (resid   72 and name   HN)  4.5 2.5 1.5 !V70HB-R72HN  618760         1.07e+07       medrange
 assign  (resid   72 and name  HB#)   (resid   70 and name   HN)  4.5 2.5 1.5 !R72HB1#-V70HN  599338                        medrange
 assign  (resid   76 and name   HA)   (resid   79 and name   HN)  4.5 2.5 1.5 !R76HA-M79HN  583222         1.13e+07       medrange
 assign  (resid   78 and name   HN)   (resid   76 and name   HN)  4.5 2.5 1.5 !S78HN-R76HN  565524         6.50e+06       medrange
 assign  (resid   74 and name   HB)   (resid   72 and name   HN)  4.5 2.5 1.5 !V74HB-R72HN  562919                 medrange
 assign  (resid   72 and name   HA)   (resid   74 and name   HN)  4.5 2.5 1.5 !R72HA-V74HN  554457                 medrange
 assign  (resid   74 and name  HG#)   (resid   76 and name   HN)  4.5 2.5 1.5 !V74HG1#-R76HN  522113         5.07e+06       medrange
 assign  (resid   74 and name   HA)   (resid   76 and name   HN)  4.5 2.5 1.5 !V74HA-R76HN  519289         5.90e+06       medrange
 assign  (resid   74 and name  HG#)   (resid   76 and name   HN)  4.5 2.5 1.5 !V74HG2#-R76HN  479864                        medrange
 assign  (resid   72 and name  HB#)   (resid   74 and name   HN)  4.5 2.5 1.5 !R72HB1#-V74HN  473383         2.86e+06       medrange
 assign  (resid   70 and name   HA)   (resid   72 and name   HN)  4.5 2.5 1.5 !V70HA-R72HN  472154         4.13e+06       medrange
 assign  (resid   60 and name  HG#)   (resid   63 and name   HN)  4.5 2.5 1.5 !T60HG#-G63HN  453799         7.06e+06       medrange
 assign  (resid   72 and name  HB#)   (resid   68 and name   HA)  4.5 2.5 1.5 !R72HB1#-Q68HA  441386         1.61e+06       medrange
 assign  (resid   76 and name   HB#)   (resid   74 and name   HN)  4.5 2.5 1.5 !R76HB-V74HN  438451                 medrange
 assign  (resid   76 and name  HG#)   (resid   72 and name   HA)  4.5 2.5 1.5 !R76HG2#-R72HA  436914         4.39e+06       medrange
 assign  (resid   78 and name   HN)   (resid   75 and name   HN)  4.5 2.5 1.5 !S78HN-L75HN  409682         3.76e+06       medrange
 assign  (resid   75 and name   HA)   (resid   79 and name   HN)  4.5 2.5 1.5 !L75HA-M79HN  401208                 medrange
 assign  (resid   76 and name  HG#)   (resid   74 and name   HN)  4.5 2.5 1.5 !R76HG1#-V74HN  392872         4.94e+06       medrange
 assign  (resid   76 and name   HA)   (resid   80 and name   HN)  4.5 2.5 1.5 !R76HA-D80HN  350145         7.54e+06       medrange
 assign  (resid   71 and name  HB#)   (resid   75 and name   HN)  4.5 2.5 1.5 !C71HB1#-L75HN  347990         4.32e+06       medrange
 assign  (resid   74 and name  HG#)   (resid   72 and name   HA)  4.5 2.5 1.5 !V74HG1#-R72HA  344141         1.57e+06       medrange
 assign  (resid   70 and name  HG#)   (resid   72 and name   HA)  4.5 2.5 1.5 !V70HG1#-R72HA  326931         2.70e+06       medrange
 assign  (resid   68 and name  HB#)   (resid   72 and name   HN)  4.5 2.5 1.5 !Q68HB1#-R72HN  324684                        medrange
 assign  (resid   79 and name   HN)   (resid   77 and name   HN)  4.5 2.5 1.5 !M79HN-C77HN  312984         3.12e+06       medrange
 assign  (resid   74 and name   HB)   (resid   72 and name   HA)  4.5 2.5 1.5 !V74HB-R72HA  311692         1.75e+06       medrange
 assign  (resid   60 and name  HG#)   (resid   62 and name   HN)  4.5 2.5 1.5 !T60HG#-L62HN  301301         1.88e+06       medrange
 assign  (resid   74 and name  HG#)   (resid   72 and name   HN)  4.5 2.5 1.5 !V74HG2#-R72HN  295862                        medrange
 assign  (resid   74 and name  HG#)   (resid   76 and name   HA)  4.5 2.5 1.5 !V74HG2#-R76HA  293310                        medrange
 assign  (resid   64 and name   HN)   (resid   60 and name   HN)  4.5 2.5 1.5 !R64HN-T60HN  284340         4.17e+06       medrange
 assign  (resid   74 and name   HA)   (resid   78 and name   HN)  4.5 2.5 1.5 !V74HA-S78HN  283513         4.40e+06       medrange
 assign  (resid   68 and name  HB#)   (resid   72 and name   HA)  4.5 2.5 1.5 !Q68HB2#-R72HA  272632                        medrange
 assign  (resid   63 and name  HA#)   (resid   60 and name   HN)  4.5 2.5 1.5 !G63HA1#-T60HN  253036                        medrange
 assign  (resid   71 and name  HB#)   (resid   69 and name   HN)  4.5 2.5 1.5 !C71HB1#-L69HN  241668                        medrange
 assign  (resid   70 and name  HG2#)   (resid   72 and name   HN)  4.5 2.5 1.5 !V70HG2#-R72HN  237687                        medrange
 assign  (resid   71 and name   HG)   (resid   75 and name   HN)  4.5 2.5 1.5 !C71HS-L75HN  232015                 medrange
 assign  (resid   77 and name   HA)   (resid   79 and name   HN)  4.5 2.5 1.5 !C77HA-M79HN  222137         4.96e+06       medrange
 assign  (resid   72 and name  HG#)   (resid   74 and name   HN)  4.5 2.5 1.5 !R72HG#-V74HN  219140                        medrange
 assign  (resid   71 and name   HG)   (resid   74 and name   HN)  4.5 2.5 1.5 !C71HS-V74HN  215346                 medrange
 assign  (resid   75 and name   HA)   (resid   72 and name   HE)  4.5 2.5 1.5 !L75HA-R72HE  201830                        medrange
 assign  (resid   79 and name   HN)   (resid   76 and name   HN)  4.5 2.5 1.5 !M79HN-R76HN  191046                        medrange
 assign  (resid   64 and name   HN)   (resid   61 and name   HN)  4.5 2.5 1.5 !R64HN-L61HN  188245                        medrange
 assign  (resid   75 and name   HG)   (resid   72 and name   HE)  4.5 2.5 1.5 !L75HG-R72HE  181398                        medrange

! long range noes

 assign  (resid   71 and name  HG)   (resid   63 and name   HN)  4.5 2.5 1.5 !C71HS-G63HN  703531                 longrange
 assign  (resid   71 and name  HB#)   (resid   63 and name   HN)  4.5 2.5 1.5 !C71HB2#-G63HN  518158         5.49e+06       longrange
 assign  (resid   71 and name  HG)   (resid   65 and name   HN)  4.5 2.5 1.5 !C71HS-M65HN  421342                 longrange
 assign  (resid   71 and name  HB#)   (resid   76 and name   HN)  4.5 2.5 1.5 !C71HB1#-R76HN  197200                        longrange

! ambiguous noes of all ranges

 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   61 and name   HN)  2.5 0.5 1 !L61HB2#/HG-HN  8995646                        intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HN)  2.5 0.5 1 !L66HB1#/HG-HN  7144130                        intra
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   62 and name   HN)  2.5 0.5 1 !L62HB#/HG-HN  7014780                        intra
 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   61 and name   HN)  2.5 0.5 1 !L61HB1#/HG-HN  6373818                        intra
 assign  ((resid  62 and name   HG) OR
        (resid   62 and name   HB#))   (resid   62 and name   HN)  3.5 1.5 1 !L62HG/HB#-HN  4432452                        intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HN)  3.5 1.5 1 !L66HB2#/HG-HN  4109318                        intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HN)  3.5 1.5 1 !L66HG/HB#-HN  3562160                        intra
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   62 and name   HA)  3.5 1.5 1 !L62HG/HB#-HA  1583892                        intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HA)  3.5 1.5 1 !L66HG/HB#-HA  1543340                        intra
 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   61 and name   HA)  3.5 1.5 1 !L61HB2#/HG-HA  1353928                        intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HA)  3.5 1.5 1 !L66HG/HB#-HA  1181158                  intra
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   66 and name   HA)  4.5 2.5 1.5 !L66HB1#/HG-HA  1080168                        intra
 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   61 and name   HA)  4.5 2.5 1.5 !L61HB1#/HG-HA  1057174                        intra
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   62 and name   HA)  4.5 2.5 1.5 !L62HB#/HG-HA  880052                        intra
 assign ((resid  69 and name   HG) OR 
        (resid   69 and name  HB#))   (resid   69 and name   HA)  3.5 1.5 1 !L69HB2#/L69HG-HA 2158263                        intra
 assign ((resid  63 and name  HA#) OR 
        (resid   67 and name  HD#))   (resid   66 and name   HN)  3.5 1.5 1 !P67HD2#/G63HA1#-L66HN 5101617         5.36e+07       sqntl
 assign ((resid  67 and name   HA) OR 
        (resid   64 and name   HA))   (resid   65 and name   HN)  3.5 1.5 1 !R64/P67HA-M65HN 3336273         5.83e+07       sqntl
 assign ((resid  73 and name  HD2#) OR
        (resid   75 and name  HD1#))   (resid   76 and name   HN)  4.5 2.5 1.5 !L75HD1#/L73HD2#-R76HN 745571                        sqntl
 assign ((resid  75 and name  HD1#) OR
        (resid   73 and name  HD2#))   (resid   74 and name   HN)  4.5 2.5 1.5 !L73HD2#/L75HD1#-V74HN 632310                        sqntl
 assign ((resid  69 and name  HB#) OR 
        (resid   67 and name  HB#))   (resid   68 and name   HA)  4.5 2.5 1.5 !P67HB2#/L69HB1#-Q68HA 485176                        sqntl
 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   62 and name   HN)  2.5 0.5 1 !L61HB2#/HG-L62HN 8243946         6.91e+07       sqntl
 assign  (resid   67 and name  HD#)   ((resid   64 and name  HN)  OR
                                      (resid   68 and name  HN))  3.5 1.5 1 !P67HD1#-R64/Q68HN 3495973         3.22e+07       sqntl
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   67 and name   HD#)  3.5 1.5 1 !L66HB2#/HG-P67HD2# 2596985         7.09e+07       sqntl
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   63 and name   HN)  3.5 1.5 1 !L62HB#/HG-G63HN 2353635         3.24e+07       sqntl
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   63 and name   HN)  3.5 1.5 1 !L62HG/HB#-G63HN 2016929         1.12e+07       sqntl
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   67 and name  HD#)  3.5 1.5 1 !L66HB2#/HG-P67HD1# 1400814         3.32e+07       sqntl
 assign  ((resid  66 and name   HB#) OR
        (resid   66 and name   HG))   (resid   67 and name  HG#)  4.5 2.5 1.5 !L66HG/HB#-P67HG2# 659442         2.39e+07       sqntl
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   65 and name   HN)  3.5 1.5 1 !L62HB#/HG-M65HN 2286589         5.04e+07       medrange
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   65 and name   HN)  3.5 1.5 1 !L62HG/HB#-M65HN 1724694         2.67e+07       medrange
 assign  ((resid  75 and name   HD1#) OR
        (resid   73 and name   HD2#))   (resid   72 and name   HA)  3.5 1.5 1 !L75HD1#/L73HD2#-R72HA 1095470         1.54e+07       medrange
 assign  ((resid  61 and name   HB#) OR
        (resid   61 and name   HG))   (resid   64 and name   HN)  4.5 2.5 1.5 !L61HB2#/HG-R64HN 1001546                        medrange
 assign  ((resid  63 and name   HA#) OR
        (resid   72 and name   HA))   (resid   65 and name   HN)  4.5 2.5 1.5 !G63HA2#/R72HA-M65HN 791447         2.85e+07       medrange
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG) OR
        (resid   72 and name   HG#))   (resid   64 and name   HA)  4.5 2.5 1.5 !L62HB#/HG/R72HG#-R64HA 730109         7.92e+06       medrange
 assign  ((resid  62 and name   HD1#) OR
        (resid   69 and name   HD1#))   (resid   65 and name   HN)  4.5 2.5 1.5 !L62/L69HD1#-M65HN 665366         1.15e+07       medrange
 assign  ((resid  61 and name   HD2#) OR
        (resid   62 and name   HD1#) OR
        (resid   69 and name   HD1#))   ((resid   64 and name  HA)  OR
                                      (resid   67 and name  HA))  4.5 2.5 1.5 !L61HD2#/L62HD1#/L69HD1#-R64/P67HA 659088        medrange
 assign  ((resid  69 and name   HD2#) OR
        (resid   70 and name   HG1#) OR
        (resid   74 and name   HG1#))   (resid   72 and name   HN)  4.5 2.5 1.5 !L69HD2#/V70HG1#/V74HG1#-R72HN 511061  8.37e+06      medrange
 assign  ((resid  76 and name   HD#) OR
        (resid   72 and name   HD#) OR
        (resid   64 and name   HD#))   (resid   72 and name   HN)  4.5 2.5 1.5 !R76/R72/R64HD#-R72HN 497944                      medrange
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG) OR
        (resid   72 and name   HG#))   (resid   66 and name   HA)  4.5 2.5 1.5 !L62HB#/HG/R72HG#-L66HA 454536         1.32e+07       medrange
 assign  ((resid  69 and name   HD1#) OR
        (resid   73 and name   HD2#) OR
        (resid   75 and name   HD1#))   (resid   72 and name   HN)  4.5 2.5 1.5 !L69HD1#/L73HD2#/L75HD1#-R72HN 438628         7.62e+06 medrange
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   66 and name   HA)  4.5 2.5 1.5 !L62HG/HB#-L66HA 410407         7.35e+06       medrange
 assign  ((resid  62 and name   HB#) OR
        (resid   62 and name   HG))   (resid   64 and name   HN)  4.5 2.5 1.5 !L62HB#/HG-R64HN 337173                        medrange
 assign  ((resid  67 and name   HD#) OR
        (resid   63 and name   HA#))   (resid   69 and name   HN)  4.5 2.5 1.5 !P67HD2#/G63HA1#-L69HN 480637         5.24e+06       longrange
 assign ((resid  64 and name   HN) OR 
        (resid   68 and name   HN))   (resid   65 and name   HN)  2.5 0.5 1 !Q68/R64HN-M65HN 8999547         1.12e+08       medrange
 assign ((resid  63 and name  HA#) OR
        (resid   67 and name  HD#))   ((resid   64 and name  HN)  OR
                                      (resid   68 and name  HN))  3.5 1.5 1 !P67HD2#/G63HA1#-R64/Q68HN 3175019      3.07e+07       medrange
 assign ((resid  65 and name   HA) OR
        (resid   60 and name   HA))   (resid   62 and name   HN)  3.5 1.5 1 !T60/M65HA-L62HN 3100328                        medrange
 assign ((resid  68 and name   HN) OR
        (resid   64 and name   HN))   (resid   66 and name   HN)  3.5 1.5 1 !R64/Q68HN-L66HN 1745626         2.23e+07       medrange
 assign ((resid  65 and name   HA) OR 
        (resid   60 and name   HA))  ((resid   68 and name   HN)  OR
                                      (resid   64 and name   HN)) 3.5 1.5 1 !T60/M65HA-R64/Q68HN 1401378                        medrange
 assign ((resid  65 and name   HA) OR
        (resid   60 and name   HA))   (resid   63 and name   HN)  3.5 1.5 1 !T60/M65HA-G63HN 1178987                        medrange
 assign ((resid  67 and name   HA) OR 
        (resid   64 and name   HA))   (resid   66 and name   HN)  3.5 1.5 1 !R64/P67HA-L66HN 1164233         1.57e+07       medrange
 assign ((resid  63 and name  HA#) OR 
        (resid   67 and name  HD#))   (resid   65 and name   HN)  4.5 2.5 1.5 !P67HD2#/G63HA1#-M65HN 881475         1.03e+07       medrange
 assign ((resid  66 and name  HA) OR
        (resid   78 and name  HA))   ((resid   64 and name   HN)  OR
                                      (resid   68 and name   HN)) 4.5 2.5 1.5 !L66/S78HA-Q68/R64HN 685327         1.15e+07       medrange
 assign ((resid  67 and name   HA) OR
        (resid   64 and name   HA))   (resid   70 and name   HN)  3.5 1.5 1 !R64/P67HA-V70HN 2075380         2.36e+07       longrange
 assign ((resid  69 and name  HB#) OR 
        (resid   67 and name  HB#))   (resid   72 and name   HN)  3.5 1.5 1 !P67HB2#/L69HB1#-R72HN 1120762                        longrange
 assign ((resid  67 and name   HA) OR
        (resid   64 and name   HA))   (resid   69 and name   HN)  4.5 2.5 1.5 !R64/P67HA-L69HN 930379         3.13e+06       longrange
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP  59           HT1      ASP  59   0.533 -11.802   4.963
    2    H2   ASP  59           HT2      ASP  59   0.095 -10.417   5.844
    3    H3   ASP  59           HT3      ASP  59   0.949 -10.263   4.384
    4    HA   ASP  59           HA       ASP  59  -1.173 -11.629   3.537
    5    HB2  ASP  59           HB3      ASP  59  -1.996  -9.913   5.892
    6    HB3  ASP  59           HB2      ASP  59  -3.130 -10.391   4.612
    7    H    THR  60           HN       THR  60   0.575  -8.807   4.152
    8    HA   THR  60           HA       THR  60  -0.966  -7.051   2.430
    9    HB   THR  60           HB       THR  60   0.819  -5.434   2.867
   10    HG1  THR  60           HG1      THR  60   2.112  -7.140   4.616
   11   HG21  THR  60          HG21      THR  60   0.692  -5.504   5.421
   12   HG22  THR  60          HG22      THR  60  -0.216  -7.005   5.231
   13   HG23  THR  60          HG23      THR  60  -0.851  -5.499   4.566
   14    H    LEU  61           HN       LEU  61   1.381  -9.475   2.049
   15    HA   LEU  61           HA       LEU  61   2.844  -8.462  -0.153
   16    HB2  LEU  61           HB3      LEU  61   2.224 -11.265   0.783
   17    HB3  LEU  61           HB2      LEU  61   3.188 -10.960  -0.659
   18    HG   LEU  61           HG       LEU  61   4.566 -11.305   1.402
   19   HD11  LEU  61          HD11      LEU  61   5.003  -8.432   0.648
   20   HD12  LEU  61          HD12      LEU  61   5.111  -9.652  -0.622
   21   HD13  LEU  61          HD13      LEU  61   6.162  -9.753   0.787
   22   HD21  LEU  61          HD21      LEU  61   2.821 -10.117   2.872
   23   HD22  LEU  61          HD22      LEU  61   3.552  -8.611   2.315
   24   HD23  LEU  61          HD23      LEU  61   4.516  -9.778   3.216
   25    H    LEU  62           HN       LEU  62  -0.163 -10.319   0.094
   26    HA   LEU  62           HA       LEU  62  -0.551 -10.657  -2.692
   27    HB2  LEU  62           HB3      LEU  62  -1.780 -11.978  -1.018
   28    HB3  LEU  62           HB2      LEU  62  -2.598 -10.516  -0.469
   29    HG   LEU  62           HG       LEU  62  -3.591 -10.227  -2.721
   30   HD11  LEU  62          HD11      LEU  62  -3.410 -12.426  -4.177
   31   HD12  LEU  62          HD12      LEU  62  -1.897 -12.652  -3.298
   32   HD13  LEU  62          HD13      LEU  62  -2.144 -11.204  -4.276
   33   HD21  LEU  62          HD21      LEU  62  -5.008 -12.361  -2.641
   34   HD22  LEU  62          HD22      LEU  62  -4.953 -11.404  -1.162
   35   HD23  LEU  62          HD23      LEU  62  -3.983 -12.868  -1.300
   36    H    GLY  63           HN       GLY  63  -1.635  -8.211  -0.365
   37    HA2  GLY  63           HA3      GLY  63  -3.215  -6.675  -2.112
   38    HA3  GLY  63           HA2      GLY  63  -2.389  -6.056  -0.661
   39    H    ARG  64           HN       ARG  64   0.207  -7.053  -1.700
   40    HA   ARG  64           HA       ARG  64   0.935  -4.684  -3.168
   41    HB2  ARG  64           HB3      ARG  64   2.349  -5.978  -1.410
   42    HB3  ARG  64           HB2      ARG  64   2.740  -7.061  -2.743
   43    HG2  ARG  64           HG3      ARG  64   3.645  -5.203  -4.043
   44    HG3  ARG  64           HG2      ARG  64   3.156  -4.057  -2.797
   45    HD2  ARG  64           HD3      ARG  64   5.119  -6.327  -2.389
   46    HD3  ARG  64           HD2      ARG  64   5.564  -4.641  -2.636
   47    HE   ARG  64           HE       ARG  64   3.791  -4.682  -0.490
   48   HH11  ARG  64          HH21      ARG  64   6.870  -6.007  -1.347
   49   HH12  ARG  64          HH22      ARG  64   7.470  -6.025   0.278
   50   HH21  ARG  64          HH11      ARG  64   4.570  -4.703   1.643
   51   HH22  ARG  64          HH12      ARG  64   6.167  -5.287   1.971
   52    H    MET  65           HN       MET  65  -0.971  -6.503  -4.431
   53    HA   MET  65           HA       MET  65   0.370  -6.751  -7.012
   54    HB2  MET  65           HB3      MET  65   0.641  -8.954  -5.684
   55    HB3  MET  65           HB2      MET  65  -1.091  -9.165  -5.939
   56    HG2  MET  65           HG3      MET  65   0.038 -10.311  -7.735
   57    HG3  MET  65           HG2      MET  65  -0.672  -8.832  -8.417
   58    HE1  MET  65           HE1      MET  65   1.252 -10.305  -9.985
   59    HE2  MET  65           HE2      MET  65   2.575  -9.237 -10.451
   60    HE3  MET  65           HE3      MET  65   0.914  -8.657 -10.536
   61    H    LEU  66           HN       LEU  66  -2.592  -7.356  -5.136
   62    HA   LEU  66           HA       LEU  66  -4.179  -6.140  -7.332
   63    HB2  LEU  66           HB3      LEU  66  -4.966  -8.536  -5.652
   64    HB3  LEU  66           HB2      LEU  66  -5.968  -7.755  -6.872
   65    HG   LEU  66           HG       LEU  66  -3.264  -9.006  -7.441
   66   HD11  LEU  66          HD11      LEU  66  -4.638 -10.803  -8.539
   67   HD12  LEU  66          HD12      LEU  66  -6.075 -10.084  -7.811
   68   HD13  LEU  66          HD13      LEU  66  -4.808 -10.757  -6.785
   69   HD21  LEU  66          HD21      LEU  66  -5.409  -7.709  -9.129
   70   HD22  LEU  66          HD22      LEU  66  -4.350  -8.931  -9.830
   71   HD23  LEU  66          HD23      LEU  66  -3.666  -7.451  -9.166
   72    HA   PRO  67           HA       PRO  67  -4.937  -4.321  -3.091
   73    HB2  PRO  67           HB3      PRO  67  -4.056  -1.782  -3.554
   74    HB3  PRO  67           HB2      PRO  67  -2.954  -3.103  -3.063
   75    HG2  PRO  67           HG3      PRO  67  -3.491  -2.002  -5.804
   76    HG3  PRO  67           HG2      PRO  67  -1.932  -2.423  -5.038
   77    HD2  PRO  67           HD3      PRO  67  -3.213  -4.093  -6.797
   78    HD3  PRO  67           HD2      PRO  67  -2.188  -4.696  -5.475
   79    H    GLN  68           HN       GLN  68  -5.608  -3.385  -6.361
   80    HA   GLN  68           HA       GLN  68  -8.006  -1.865  -5.524
   81    HB2  GLN  68           HB3      GLN  68  -8.033  -0.976  -7.818
   82    HB3  GLN  68           HB2      GLN  68  -6.505  -0.616  -6.990
   83    HG2  GLN  68           HG3      GLN  68  -5.440  -2.531  -8.132
   84    HG3  GLN  68           HG2      GLN  68  -6.955  -2.893  -8.953
   85   HE21  GLN  68          HE21      GLN  68  -4.035  -1.445  -9.495
   86   HE22  GLN  68          HE22      GLN  68  -4.507  -0.281 -10.661
   87    H    LEU  69           HN       LEU  69  -8.065  -4.622  -5.267
   88    HA   LEU  69           HA       LEU  69 -10.391  -5.232  -6.786
   89    HB2  LEU  69           HB3      LEU  69  -8.276  -5.625  -8.344
   90    HB3  LEU  69           HB2      LEU  69  -8.149  -7.127  -7.440
   91    HG   LEU  69           HG       LEU  69 -10.676  -6.211  -8.854
   92   HD11  LEU  69          HD11      LEU  69  -8.663  -8.300  -9.731
   93   HD12  LEU  69          HD12      LEU  69  -8.762  -6.675 -10.408
   94   HD13  LEU  69          HD13      LEU  69 -10.111  -7.795 -10.601
   95   HD21  LEU  69          HD21      LEU  69  -9.822  -8.759  -7.456
   96   HD22  LEU  69          HD22      LEU  69 -11.178  -8.710  -8.581
   97   HD23  LEU  69          HD23      LEU  69 -11.223  -7.748  -7.105
   98    H    VAL  70           HN       VAL  70  -7.703  -7.257  -5.492
   99    HA   VAL  70           HA       VAL  70  -9.507  -8.992  -4.141
  100    HB   VAL  70           HB       VAL  70  -6.548  -8.478  -3.762
  101   HG11  VAL  70          HG11      VAL  70  -8.431 -10.454  -2.453
  102   HG12  VAL  70          HG12      VAL  70  -7.289  -9.360  -1.673
  103   HG13  VAL  70          HG13      VAL  70  -6.699 -10.757  -2.574
  104   HG21  VAL  70          HG21      VAL  70  -8.062 -10.796  -5.011
  105   HG22  VAL  70          HG22      VAL  70  -6.313 -10.568  -4.996
  106   HG23  VAL  70          HG23      VAL  70  -7.337  -9.476  -5.929
  107    H    CYS  71           HN       CYS  71  -7.412  -6.376  -2.986
  108    HA   CYS  71           HA       CYS  71  -8.322  -6.441  -0.306
  109    HB2  CYS  71           HB3      CYS  71  -6.929  -4.306  -1.921
  110    HB3  CYS  71           HB2      CYS  71  -7.294  -4.145  -0.192
  111    HG   CYS  71           HG       CYS  71  -5.783  -6.724  -0.825
  112    H    ARG  72           HN       ARG  72  -9.268  -4.643  -3.189
  113    HA   ARG  72           HA       ARG  72 -10.965  -2.799  -1.982
  114    HB2  ARG  72           HB3      ARG  72 -10.233  -2.671  -4.336
  115    HB3  ARG  72           HB2      ARG  72 -11.251  -4.059  -4.712
  116    HG2  ARG  72           HG3      ARG  72 -12.445  -2.033  -5.323
  117    HG3  ARG  72           HG2      ARG  72 -13.249  -2.752  -3.934
  118    HD2  ARG  72           HD3      ARG  72 -11.110  -0.685  -3.473
  119    HD3  ARG  72           HD2      ARG  72 -12.717  -0.163  -3.963
  120    HE   ARG  72           HE       ARG  72 -12.998  -1.969  -1.822
  121   HH11  ARG  72          HH21      ARG  72 -11.734   1.169  -2.552
  122   HH12  ARG  72          HH22      ARG  72 -11.992   1.796  -0.958
  123   HH21  ARG  72          HH11      ARG  72 -13.336  -1.154   0.273
  124   HH22  ARG  72          HH12      ARG  72 -12.898   0.481   0.641
  125    H    LEU  73           HN       LEU  73 -11.754  -5.993  -3.353
  126    HA   LEU  73           HA       LEU  73 -14.505  -5.877  -2.618
  127    HB2  LEU  73           HB3      LEU  73 -12.638  -7.964  -3.658
  128    HB3  LEU  73           HB2      LEU  73 -14.112  -8.539  -2.853
  129    HG   LEU  73           HG       LEU  73 -15.459  -7.076  -4.364
  130   HD11  LEU  73          HD11      LEU  73 -13.647  -5.420  -4.837
  131   HD12  LEU  73          HD12      LEU  73 -14.399  -6.042  -6.305
  132   HD13  LEU  73          HD13      LEU  73 -12.822  -6.643  -5.798
  133   HD21  LEU  73          HD21      LEU  73 -15.244  -8.495  -6.308
  134   HD22  LEU  73          HD22      LEU  73 -14.923  -9.474  -4.877
  135   HD23  LEU  73          HD23      LEU  73 -13.584  -8.910  -5.877
  136    H    VAL  74           HN       VAL  74 -11.632  -7.280  -1.121
  137    HA   VAL  74           HA       VAL  74 -12.929  -8.536   1.042
  138    HB   VAL  74           HB       VAL  74 -10.116  -7.515   0.649
  139   HG11  VAL  74          HG11      VAL  74 -10.401  -7.515   3.031
  140   HG12  VAL  74          HG12      VAL  74  -9.644  -9.064   2.656
  141   HG13  VAL  74          HG13      VAL  74 -11.374  -8.984   2.986
  142   HG21  VAL  74          HG21      VAL  74 -11.110  -9.491  -0.678
  143   HG22  VAL  74          HG22      VAL  74 -11.134 -10.359   0.856
  144   HG23  VAL  74          HG23      VAL  74  -9.603  -9.796   0.187
  145    H    LEU  75           HN       LEU  75 -11.403  -5.300   0.827
  146    HA   LEU  75           HA       LEU  75 -11.926  -4.586   3.510
  147    HB2  LEU  75           HB3      LEU  75 -11.531  -2.914   1.022
  148    HB3  LEU  75           HB2      LEU  75 -11.722  -2.208   2.637
  149    HG   LEU  75           HG       LEU  75  -9.608  -4.281   1.947
  150   HD11  LEU  75          HD11      LEU  75  -9.491  -1.256   1.952
  151   HD12  LEU  75          HD12      LEU  75  -9.112  -2.344   0.618
  152   HD13  LEU  75          HD13      LEU  75  -8.052  -2.273   2.026
  153   HD21  LEU  75          HD21      LEU  75  -8.590  -3.037   4.063
  154   HD22  LEU  75          HD22      LEU  75  -9.778  -4.314   4.278
  155   HD23  LEU  75          HD23      LEU  75 -10.276  -2.627   4.379
  156    H    ARG  76           HN       ARG  76 -13.762  -4.132   0.524
  157    HA   ARG  76           HA       ARG  76 -15.896  -2.686   1.692
  158    HB2  ARG  76           HB3      ARG  76 -15.707  -4.369  -0.804
  159    HB3  ARG  76           HB2      ARG  76 -17.177  -3.505  -0.348
  160    HG2  ARG  76           HG3      ARG  76 -15.992  -1.379  -0.375
  161    HG3  ARG  76           HG2      ARG  76 -14.463  -2.195  -0.684
  162    HD2  ARG  76           HD3      ARG  76 -15.308  -3.010  -2.838
  163    HD3  ARG  76           HD2      ARG  76 -16.871  -2.262  -2.522
  164    HE   ARG  76           HE       ARG  76 -14.931  -0.253  -2.330
  165   HH11  ARG  76          HH21      ARG  76 -16.245  -2.451  -4.657
  166   HH12  ARG  76          HH22      ARG  76 -15.952  -1.409  -6.010
  167   HH21  ARG  76          HH11      ARG  76 -14.544   1.118  -4.099
  168   HH22  ARG  76          HH12      ARG  76 -14.990   0.611  -5.693
  169    H    CYS  77           HN       CYS  77 -15.304  -6.126   1.214
  170    HA   CYS  77           HA       CYS  77 -17.827  -7.096   1.978
  171    HB2  CYS  77           HB3      CYS  77 -16.117  -8.490   0.886
  172    HB3  CYS  77           HB2      CYS  77 -15.104  -8.380   2.343
  173    HG   CYS  77           HG       CYS  77 -17.787  -9.415   3.161
  174    H    SER  78           HN       SER  78 -14.884  -6.531   3.906
  175    HA   SER  78           HA       SER  78 -15.923  -7.396   6.376
  176    HB2  SER  78           HB3      SER  78 -13.524  -7.041   6.011
  177    HB3  SER  78           HB2      SER  78 -13.804  -5.300   5.812
  178    HG   SER  78           HG       SER  78 -13.176  -6.227   7.990
  179    H    MET  79           HN       MET  79 -15.860  -4.189   4.854
  180    HA   MET  79           HA       MET  79 -18.176  -3.382   6.433
  181    HB2  MET  79           HB3      MET  79 -16.273  -2.770   7.882
  182    HB3  MET  79           HB2      MET  79 -15.569  -1.835   6.546
  183    HG2  MET  79           HG3      MET  79 -17.501  -0.347   6.519
  184    HG3  MET  79           HG2      MET  79 -18.315  -1.325   7.739
  185    HE1  MET  79           HE1      MET  79 -14.784   1.519   8.172
  186    HE2  MET  79           HE2      MET  79 -15.537   0.885   6.711
  187    HE3  MET  79           HE3      MET  79 -14.393  -0.110   7.606
  188    H    ASP  80           HN       ASP  80 -19.438  -1.935   5.368
  189    HA   ASP  80           HA       ASP  80 -18.682  -1.279   2.620
  190    HB2  ASP  80           HB3      ASP  80 -21.009  -0.633   2.352
  191    HB3  ASP  80           HB2      ASP  80 -20.925  -2.211   3.133
  Start of MODEL    2
    1    H1   ASP  59           HT1      ASP  59  -5.490  -6.974   5.923
    2    H2   ASP  59           HT2      ASP  59  -5.356  -6.132   4.453
    3    H3   ASP  59           HT3      ASP  59  -5.064  -5.333   5.923
    4    HA   ASP  59           HA       ASP  59  -3.011  -5.898   4.698
    5    HB2  ASP  59           HB3      ASP  59  -2.863  -5.552   7.081
    6    HB3  ASP  59           HB2      ASP  59  -3.537  -7.162   7.406
    7    H    THR  60           HN       THR  60  -2.485  -7.264   3.111
    8    HA   THR  60           HA       THR  60  -2.432 -10.127   3.603
    9    HB   THR  60           HB       THR  60  -4.752  -9.708   2.787
   10    HG1  THR  60           HG1      THR  60  -3.343 -11.594   2.242
   11   HG21  THR  60          HG21      THR  60  -3.543  -9.021   0.119
   12   HG22  THR  60          HG22      THR  60  -3.907  -7.750   1.286
   13   HG23  THR  60          HG23      THR  60  -5.197  -8.783   0.676
   14    H    LEU  61           HN       LEU  61  -1.324 -11.298   1.877
   15    HA   LEU  61           HA       LEU  61   1.008  -9.964   1.022
   16    HB2  LEU  61           HB3      LEU  61   0.931 -12.387   1.423
   17    HB3  LEU  61           HB2      LEU  61  -0.175 -12.586   0.068
   18    HG   LEU  61           HG       LEU  61   1.558 -11.721  -1.476
   19   HD11  LEU  61          HD11      LEU  61   3.951 -11.676  -0.380
   20   HD12  LEU  61          HD12      LEU  61   3.063 -11.362   1.111
   21   HD13  LEU  61          HD13      LEU  61   2.918 -10.254  -0.255
   22   HD21  LEU  61          HD21      LEU  61   1.413 -14.140  -1.041
   23   HD22  LEU  61          HD22      LEU  61   2.504 -13.966   0.335
   24   HD23  LEU  61          HD23      LEU  61   3.090 -13.659  -1.301
   25    H    LEU  62           HN       LEU  62  -1.958 -10.880  -0.691
   26    HA   LEU  62           HA       LEU  62  -1.103 -10.029  -3.265
   27    HB2  LEU  62           HB3      LEU  62  -3.910 -10.230  -2.156
   28    HB3  LEU  62           HB2      LEU  62  -3.479 -10.101  -3.860
   29    HG   LEU  62           HG       LEU  62  -2.645 -12.355  -2.007
   30   HD11  LEU  62          HD11      LEU  62  -4.179 -13.699  -3.481
   31   HD12  LEU  62          HD12      LEU  62  -4.727 -12.187  -4.201
   32   HD13  LEU  62          HD13      LEU  62  -5.012 -12.501  -2.490
   33   HD21  LEU  62          HD21      LEU  62  -0.950 -12.304  -3.613
   34   HD22  LEU  62          HD22      LEU  62  -2.009 -11.660  -4.868
   35   HD23  LEU  62          HD23      LEU  62  -2.118 -13.358  -4.404
   36    H    GLY  63           HN       GLY  63  -1.787  -8.303  -0.485
   37    HA2  GLY  63           HA3      GLY  63  -3.110  -6.014  -1.445
   38    HA3  GLY  63           HA2      GLY  63  -2.008  -6.050  -0.052
   39    H    ARG  64           HN       ARG  64   0.003  -7.267  -2.051
   40    HA   ARG  64           HA       ARG  64   0.928  -4.698  -3.188
   41    HB2  ARG  64           HB3      ARG  64   2.308  -5.932  -1.359
   42    HB3  ARG  64           HB2      ARG  64   2.706  -7.073  -2.641
   43    HG2  ARG  64           HG3      ARG  64   3.587  -5.225  -4.021
   44    HG3  ARG  64           HG2      ARG  64   3.177  -4.076  -2.748
   45    HD2  ARG  64           HD3      ARG  64   4.676  -5.318  -1.192
   46    HD3  ARG  64           HD2      ARG  64   5.139  -6.376  -2.523
   47    HE   ARG  64           HE       ARG  64   5.570  -3.711  -3.325
   48   HH11  ARG  64          HH21      ARG  64   6.710  -6.049  -1.042
   49   HH12  ARG  64          HH22      ARG  64   8.319  -5.407  -0.980
   50   HH21  ARG  64          HH11      ARG  64   7.677  -2.865  -3.249
   51   HH22  ARG  64          HH12      ARG  64   8.866  -3.605  -2.230
   52    H    MET  65           HN       MET  65  -0.981  -6.456  -4.425
   53    HA   MET  65           HA       MET  65   0.384  -6.851  -6.955
   54    HB2  MET  65           HB3      MET  65   0.689  -9.007  -5.677
   55    HB3  MET  65           HB2      MET  65  -1.067  -9.185  -5.698
   56    HG2  MET  65           HG3      MET  65  -1.048  -9.089  -8.170
   57    HG3  MET  65           HG2      MET  65   0.719  -8.936  -8.142
   58    HE1  MET  65           HE1      MET  65   2.273 -10.415  -7.250
   59    HE2  MET  65           HE2      MET  65   2.137 -12.164  -7.118
   60    HE3  MET  65           HE3      MET  65   1.632 -11.146  -5.773
   61    H    LEU  66           HN       LEU  66  -2.597  -7.415  -5.108
   62    HA   LEU  66           HA       LEU  66  -4.165  -6.212  -7.324
   63    HB2  LEU  66           HB3      LEU  66  -4.956  -8.597  -5.632
   64    HB3  LEU  66           HB2      LEU  66  -5.956  -7.826  -6.857
   65    HG   LEU  66           HG       LEU  66  -3.254  -9.085  -7.404
   66   HD11  LEU  66          HD11      LEU  66  -6.071 -10.141  -7.733
   67   HD12  LEU  66          HD12      LEU  66  -4.758 -10.852  -6.794
   68   HD13  LEU  66          HD13      LEU  66  -4.679 -10.845  -8.556
   69   HD21  LEU  66          HD21      LEU  66  -4.326  -9.003  -9.806
   70   HD22  LEU  66          HD22      LEU  66  -3.617  -7.536  -9.141
   71   HD23  LEU  66          HD23      LEU  66  -5.365  -7.759  -9.110
   72    HA   PRO  67           HA       PRO  67  -4.960  -4.362  -3.087
   73    HB2  PRO  67           HB3      PRO  67  -4.082  -1.822  -3.585
   74    HB3  PRO  67           HB2      PRO  67  -2.990  -3.131  -3.041
   75    HG2  PRO  67           HG3      PRO  67  -3.470  -2.091  -5.818
   76    HG3  PRO  67           HG2      PRO  67  -1.927  -2.490  -5.008
   77    HD2  PRO  67           HD3      PRO  67  -3.146  -4.202  -6.757
   78    HD3  PRO  67           HD2      PRO  67  -2.174  -4.776  -5.384
   79    H    GLN  68           HN       GLN  68  -5.628  -3.498  -6.378
   80    HA   GLN  68           HA       GLN  68  -8.006  -1.927  -5.573
   81    HB2  GLN  68           HB3      GLN  68  -8.046  -1.113  -7.886
   82    HB3  GLN  68           HB2      GLN  68  -6.493  -0.765  -7.102
   83    HG2  GLN  68           HG3      GLN  68  -5.508  -2.754  -8.199
   84    HG3  GLN  68           HG2      GLN  68  -7.048  -3.086  -8.987
   85   HE21  GLN  68          HE21      GLN  68  -4.089  -1.752  -9.612
   86   HE22  GLN  68          HE22      GLN  68  -4.539  -0.608 -10.805
   87    H    LEU  69           HN       LEU  69  -8.059  -4.713  -5.258
   88    HA   LEU  69           HA       LEU  69 -10.447  -5.319  -6.681
   89    HB2  LEU  69           HB3      LEU  69  -8.884  -5.744  -8.519
   90    HB3  LEU  69           HB2      LEU  69  -7.954  -6.831  -7.495
   91    HG   LEU  69           HG       LEU  69  -9.916  -8.324  -7.288
   92   HD11  LEU  69          HD11      LEU  69 -11.206  -6.129  -8.905
   93   HD12  LEU  69          HD12      LEU  69 -11.833  -6.986  -7.497
   94   HD13  LEU  69          HD13      LEU  69 -11.784  -7.787  -9.064
   95   HD21  LEU  69          HD21      LEU  69  -8.259  -8.592  -9.143
   96   HD22  LEU  69          HD22      LEU  69  -9.309  -7.621 -10.176
   97   HD23  LEU  69          HD23      LEU  69  -9.866  -9.180  -9.569
   98    H    VAL  70           HN       VAL  70  -7.691  -7.281  -5.437
   99    HA   VAL  70           HA       VAL  70  -9.408  -9.058  -4.030
  100    HB   VAL  70           HB       VAL  70  -6.463  -8.429  -3.715
  101   HG11  VAL  70          HG11      VAL  70  -6.489 -10.682  -2.479
  102   HG12  VAL  70          HG12      VAL  70  -8.234 -10.466  -2.343
  103   HG13  VAL  70          HG13      VAL  70  -7.142  -9.301  -1.594
  104   HG21  VAL  70          HG21      VAL  70  -7.309  -9.500  -5.845
  105   HG22  VAL  70          HG22      VAL  70  -7.883 -10.850  -4.867
  106   HG23  VAL  70          HG23      VAL  70  -6.158 -10.491  -4.949
  107    H    CYS  71           HN       CYS  71  -7.386  -6.349  -2.937
  108    HA   CYS  71           HA       CYS  71  -8.307  -6.402  -0.251
  109    HB2  CYS  71           HB3      CYS  71  -6.943  -4.262  -1.889
  110    HB3  CYS  71           HB2      CYS  71  -7.334  -4.079  -0.167
  111    HG   CYS  71           HG       CYS  71  -5.755  -6.631  -0.741
  112    H    ARG  72           HN       ARG  72  -9.234  -4.687  -3.179
  113    HA   ARG  72           HA       ARG  72 -11.015  -2.867  -2.053
  114    HB2  ARG  72           HB3      ARG  72 -10.214  -2.763  -4.387
  115    HB3  ARG  72           HB2      ARG  72 -11.174  -4.189  -4.764
  116    HG2  ARG  72           HG3      ARG  72 -12.410  -2.217  -5.456
  117    HG3  ARG  72           HG2      ARG  72 -13.231  -2.933  -4.076
  118    HD2  ARG  72           HD3      ARG  72 -11.177  -0.790  -3.593
  119    HD3  ARG  72           HD2      ARG  72 -12.781  -0.329  -4.149
  120    HE   ARG  72           HE       ARG  72 -13.066  -2.104  -1.977
  121   HH11  ARG  72          HH21      ARG  72 -11.928   1.073  -2.745
  122   HH12  ARG  72          HH22      ARG  72 -12.279   1.727  -1.179
  123   HH21  ARG  72          HH11      ARG  72 -13.526  -1.254   0.079
  124   HH22  ARG  72          HH12      ARG  72 -13.183   0.409   0.419
  125    H    LEU  73           HN       LEU  73 -11.624  -6.114  -3.378
  126    HA   LEU  73           HA       LEU  73 -14.405  -6.143  -2.780
  127    HB2  LEU  73           HB3      LEU  73 -12.398  -8.359  -3.255
  128    HB3  LEU  73           HB2      LEU  73 -14.132  -8.651  -3.030
  129    HG   LEU  73           HG       LEU  73 -13.009  -6.790  -5.153
  130   HD11  LEU  73          HD11      LEU  73 -13.460  -8.663  -6.733
  131   HD12  LEU  73          HD12      LEU  73 -13.822  -9.706  -5.359
  132   HD13  LEU  73          HD13      LEU  73 -12.195  -9.060  -5.570
  133   HD21  LEU  73          HD21      LEU  73 -15.744  -7.887  -4.482
  134   HD22  LEU  73          HD22      LEU  73 -15.358  -7.466  -6.148
  135   HD23  LEU  73          HD23      LEU  73 -15.282  -6.238  -4.894
  136    H    VAL  74           HN       VAL  74 -11.543  -7.314  -1.088
  137    HA   VAL  74           HA       VAL  74 -12.880  -8.557   1.062
  138    HB   VAL  74           HB       VAL  74 -10.088  -7.462   0.727
  139   HG11  VAL  74          HG11      VAL  74 -11.379  -8.886   3.075
  140   HG12  VAL  74          HG12      VAL  74 -10.449  -7.388   3.098
  141   HG13  VAL  74          HG13      VAL  74  -9.637  -8.926   2.803
  142   HG21  VAL  74          HG21      VAL  74 -11.018 -10.330   1.013
  143   HG22  VAL  74          HG22      VAL  74  -9.494  -9.737   0.354
  144   HG23  VAL  74          HG23      VAL  74 -10.990  -9.520  -0.553
  145    H    LEU  75           HN       LEU  75 -11.447  -5.282   0.807
  146    HA   LEU  75           HA       LEU  75 -12.071  -4.522   3.454
  147    HB2  LEU  75           HB3      LEU  75 -11.659  -2.893   0.939
  148    HB3  LEU  75           HB2      LEU  75 -11.909  -2.160   2.534
  149    HG   LEU  75           HG       LEU  75  -9.722  -4.183   1.933
  150   HD11  LEU  75          HD11      LEU  75  -9.381  -2.155   0.591
  151   HD12  LEU  75          HD12      LEU  75  -8.196  -2.230   1.895
  152   HD13  LEU  75          HD13      LEU  75  -9.587  -1.155   2.027
  153   HD21  LEU  75          HD21      LEU  75  -8.799  -2.872   4.060
  154   HD22  LEU  75          HD22      LEU  75  -9.940  -4.194   4.258
  155   HD23  LEU  75          HD23      LEU  75 -10.507  -2.528   4.326
  156    H    ARG  76           HN       ARG  76 -13.840  -4.150   0.411
  157    HA   ARG  76           HA       ARG  76 -16.033  -2.763   1.541
  158    HB2  ARG  76           HB3      ARG  76 -15.747  -4.410  -0.970
  159    HB3  ARG  76           HB2      ARG  76 -17.257  -3.606  -0.531
  160    HG2  ARG  76           HG3      ARG  76 -15.987  -1.443  -0.374
  161    HG3  ARG  76           HG2      ARG  76 -14.566  -2.286  -0.986
  162    HD2  ARG  76           HD3      ARG  76 -17.210  -2.206  -2.451
  163    HD3  ARG  76           HD2      ARG  76 -15.908  -1.059  -2.743
  164    HE   ARG  76           HE       ARG  76 -14.838  -3.641  -2.971
  165   HH11  ARG  76          HH21      ARG  76 -17.174  -1.583  -4.480
  166   HH12  ARG  76          HH22      ARG  76 -16.954  -2.256  -6.060
  167   HH21  ARG  76          HH11      ARG  76 -14.539  -4.525  -5.046
  168   HH22  ARG  76          HH12      ARG  76 -15.462  -3.921  -6.380
  169    H    CYS  77           HN       CYS  77 -15.327  -6.180   1.095
  170    HA   CYS  77           HA       CYS  77 -17.840  -7.223   1.778
  171    HB2  CYS  77           HB3      CYS  77 -16.055  -8.571   0.765
  172    HB3  CYS  77           HB2      CYS  77 -15.095  -8.416   2.253
  173    HG   CYS  77           HG       CYS  77 -17.764  -9.529   2.997
  174    H    SER  78           HN       SER  78 -14.996  -6.563   3.843
  175    HA   SER  78           HA       SER  78 -16.479  -7.277   6.242
  176    HB2  SER  78           HB3      SER  78 -13.690  -6.180   5.819
  177    HB3  SER  78           HB2      SER  78 -14.369  -6.595   7.405
  178    HG   SER  78           HG       SER  78 -13.487  -8.460   6.829
  179    H    MET  79           HN       MET  79 -14.532  -4.353   5.605
  180    HA   MET  79           HA       MET  79 -16.365  -2.790   7.244
  181    HB2  MET  79           HB3      MET  79 -14.720  -0.981   6.991
  182    HB3  MET  79           HB2      MET  79 -13.950  -2.479   7.547
  183    HG2  MET  79           HG3      MET  79 -13.213  -2.961   5.248
  184    HG3  MET  79           HG2      MET  79 -14.010  -1.500   4.669
  185    HE1  MET  79           HE1      MET  79 -11.705  -2.061   8.045
  186    HE2  MET  79           HE2      MET  79 -10.206  -1.971   7.126
  187    HE3  MET  79           HE3      MET  79 -11.416  -3.174   6.699
  188    H    ASP  80           HN       ASP  80 -17.306  -0.819   6.530
  189    HA   ASP  80           HA       ASP  80 -17.487  -0.321   3.655
  190    HB2  ASP  80           HB3      ASP  80 -19.912  -0.479   3.592
  191    HB3  ASP  80           HB2      ASP  80 -19.240  -2.023   4.114
  Start of MODEL    3
    1    H1   ASP  59           HT1      ASP  59  -1.796  -4.787   2.996
    2    H2   ASP  59           HT2      ASP  59  -0.730  -5.464   1.861
    3    H3   ASP  59           HT3      ASP  59  -0.508  -3.864   2.390
    4    HA   ASP  59           HA       ASP  59   1.012  -4.790   3.741
    5    HB2  ASP  59           HB3      ASP  59  -0.790  -3.954   5.216
    6    HB3  ASP  59           HB2      ASP  59  -1.561  -5.554   5.164
    7    H    THR  60           HN       THR  60  -1.536  -7.037   2.850
    8    HA   THR  60           HA       THR  60  -0.053  -9.376   3.708
    9    HB   THR  60           HB       THR  60  -1.926 -10.633   2.781
   10    HG1  THR  60           HG1      THR  60  -3.623  -8.843   2.055
   11   HG21  THR  60          HG21      THR  60  -2.806  -8.145   4.272
   12   HG22  THR  60          HG22      THR  60  -2.210  -9.635   5.004
   13   HG23  THR  60          HG23      THR  60  -3.744  -9.632   4.132
   14    H    LEU  61           HN       LEU  61   0.375 -11.144   2.145
   15    HA   LEU  61           HA       LEU  61   2.095 -10.262   0.088
   16    HB2  LEU  61           HB3      LEU  61   2.378 -12.431   1.200
   17    HB3  LEU  61           HB2      LEU  61   0.848 -12.989   0.527
   18    HG   LEU  61           HG       LEU  61   1.762 -12.739  -1.760
   19   HD11  LEU  61          HD11      LEU  61   4.379 -12.464  -1.779
   20   HD12  LEU  61          HD12      LEU  61   4.125 -11.661  -0.230
   21   HD13  LEU  61          HD13      LEU  61   3.362 -11.028  -1.689
   22   HD21  LEU  61          HD21      LEU  61   3.558 -14.337   0.092
   23   HD22  LEU  61          HD22      LEU  61   3.360 -14.608  -1.639
   24   HD23  LEU  61          HD23      LEU  61   2.006 -14.883  -0.545
   25    H    LEU  62           HN       LEU  62  -1.192 -11.618   0.017
   26    HA   LEU  62           HA       LEU  62  -1.472 -11.583  -2.799
   27    HB2  LEU  62           HB3      LEU  62  -2.966 -12.879  -1.337
   28    HB3  LEU  62           HB2      LEU  62  -3.596 -11.382  -0.654
   29    HG   LEU  62           HG       LEU  62  -4.424 -10.707  -2.886
   30   HD11  LEU  62          HD11      LEU  62  -3.052 -13.270  -3.686
   31   HD12  LEU  62          HD12      LEU  62  -3.042 -11.702  -4.494
   32   HD13  LEU  62          HD13      LEU  62  -4.469 -12.728  -4.587
   33   HD21  LEU  62          HD21      LEU  62  -5.996 -11.861  -1.503
   34   HD22  LEU  62          HD22      LEU  62  -5.243 -13.422  -1.832
   35   HD23  LEU  62          HD23      LEU  62  -6.134 -12.588  -3.105
   36    H    GLY  63           HN       GLY  63  -2.298  -9.233  -0.268
   37    HA2  GLY  63           HA3      GLY  63  -3.571  -7.335  -1.902
   38    HA3  GLY  63           HA2      GLY  63  -2.724  -6.974  -0.380
   39    H    ARG  64           HN       ARG  64  -0.275  -8.284  -1.539
   40    HA   ARG  64           HA       ARG  64   0.841  -5.894  -2.718
   41    HB2  ARG  64           HB3      ARG  64   1.997  -7.543  -1.071
   42    HB3  ARG  64           HB2      ARG  64   2.271  -8.539  -2.498
   43    HG2  ARG  64           HG3      ARG  64   3.437  -6.673  -3.599
   44    HG3  ARG  64           HG2      ARG  64   3.133  -5.645  -2.199
   45    HD2  ARG  64           HD3      ARG  64   4.433  -7.190  -0.782
   46    HD3  ARG  64           HD2      ARG  64   4.735  -8.218  -2.179
   47    HE   ARG  64           HE       ARG  64   6.318  -6.676  -2.924
   48   HH11  ARG  64          HH21      ARG  64   4.392  -5.388  -0.353
   49   HH12  ARG  64          HH22      ARG  64   5.379  -3.981  -0.135
   50   HH21  ARG  64          HH11      ARG  64   7.617  -4.836  -2.641
   51   HH22  ARG  64          HH12      ARG  64   7.205  -3.668  -1.429
   52    H    MET  65           HN       MET  65  -1.270  -7.268  -4.177
   53    HA   MET  65           HA       MET  65   0.093  -7.485  -6.746
   54    HB2  MET  65           HB3      MET  65  -0.022  -9.816  -5.627
   55    HB3  MET  65           HB2      MET  65  -1.755  -9.728  -5.938
   56    HG2  MET  65           HG3      MET  65  -0.751 -10.868  -7.811
   57    HG3  MET  65           HG2      MET  65  -1.203  -9.242  -8.363
   58    HE1  MET  65           HE1      MET  65   1.993 -10.198 -10.300
   59    HE2  MET  65           HE2      MET  65   0.695  -9.019 -10.463
   60    HE3  MET  65           HE3      MET  65   0.312 -10.685 -10.047
   61    H    LEU  66           HN       LEU  66  -2.988  -7.806  -4.994
   62    HA   LEU  66           HA       LEU  66  -4.294  -6.152  -7.084
   63    HB2  LEU  66           HB3      LEU  66  -5.489  -8.552  -5.676
   64    HB3  LEU  66           HB2      LEU  66  -6.325  -7.505  -6.819
   65    HG   LEU  66           HG       LEU  66  -3.828  -9.098  -7.477
   66   HD11  LEU  66          HD11      LEU  66  -5.439 -10.520  -8.795
   67   HD12  LEU  66          HD12      LEU  66  -6.759  -9.672  -7.994
   68   HD13  LEU  66          HD13      LEU  66  -5.635 -10.647  -7.048
   69   HD21  LEU  66          HD21      LEU  66  -5.680  -7.295  -9.043
   70   HD22  LEU  66          HD22      LEU  66  -4.823  -8.598  -9.863
   71   HD23  LEU  66          HD23      LEU  66  -3.918  -7.335  -9.037
   72    HA   PRO  67           HA       PRO  67  -4.914  -4.658  -2.690
   73    HB2  PRO  67           HB3      PRO  67  -3.660  -2.238  -2.902
   74    HB3  PRO  67           HB2      PRO  67  -2.787  -3.742  -2.489
   75    HG2  PRO  67           HG3      PRO  67  -3.031  -2.354  -5.140
   76    HG3  PRO  67           HG2      PRO  67  -1.588  -3.073  -4.365
   77    HD2  PRO  67           HD3      PRO  67  -3.016  -4.374  -6.306
   78    HD3  PRO  67           HD2      PRO  67  -2.166  -5.237  -5.006
   79    H    GLN  68           HN       GLN  68  -5.318  -3.325  -5.866
   80    HA   GLN  68           HA       GLN  68  -7.490  -1.541  -4.941
   81    HB2  GLN  68           HB3      GLN  68  -7.318  -0.474  -7.149
   82    HB3  GLN  68           HB2      GLN  68  -5.773  -0.432  -6.278
   83    HG2  GLN  68           HG3      GLN  68  -4.994  -2.390  -7.569
   84    HG3  GLN  68           HG2      GLN  68  -6.529  -2.442  -8.432
   85   HE21  GLN  68          HE21      GLN  68  -3.405  -1.418  -8.814
   86   HE22  GLN  68          HE22      GLN  68  -3.667  -0.110  -9.888
   87    H    LEU  69           HN       LEU  69  -7.967  -4.284  -4.936
   88    HA   LEU  69           HA       LEU  69 -10.327  -4.386  -6.517
   89    HB2  LEU  69           HB3      LEU  69  -8.265  -4.953  -8.097
   90    HB3  LEU  69           HB2      LEU  69  -8.394  -6.536  -7.343
   91    HG   LEU  69           HG       LEU  69 -10.699  -5.089  -8.693
   92   HD11  LEU  69          HD11      LEU  69  -9.035  -5.692 -10.356
   93   HD12  LEU  69          HD12      LEU  69 -10.383  -6.824 -10.469
   94   HD13  LEU  69          HD13      LEU  69  -8.886  -7.311  -9.671
   95   HD21  LEU  69          HD21      LEU  69 -11.566  -6.616  -7.078
   96   HD22  LEU  69          HD22      LEU  69 -10.345  -7.829  -7.458
   97   HD23  LEU  69          HD23      LEU  69 -11.631  -7.482  -8.613
   98    H    VAL  70           HN       VAL  70  -7.995  -6.902  -5.406
   99    HA   VAL  70           HA       VAL  70 -10.061  -8.474  -4.248
  100    HB   VAL  70           HB       VAL  70  -7.070  -8.439  -3.791
  101   HG11  VAL  70          HG11      VAL  70  -7.576 -10.774  -2.834
  102   HG12  VAL  70          HG12      VAL  70  -9.250 -10.239  -2.707
  103   HG13  VAL  70          HG13      VAL  70  -7.986  -9.400  -1.808
  104   HG21  VAL  70          HG21      VAL  70  -7.101 -10.402  -5.230
  105   HG22  VAL  70          HG22      VAL  70  -7.954  -9.095  -6.056
  106   HG23  VAL  70          HG23      VAL  70  -8.864 -10.388  -5.273
  107    H    CYS  71           HN       CYS  71  -7.633  -6.316  -2.812
  108    HA   CYS  71           HA       CYS  71  -8.643  -6.498  -0.166
  109    HB2  CYS  71           HB3      CYS  71  -6.897  -4.445  -1.529
  110    HB3  CYS  71           HB2      CYS  71  -7.298  -4.402   0.199
  111    HG   CYS  71           HG       CYS  71  -6.148  -7.099  -0.644
  112    H    ARG  72           HN       ARG  72  -9.164  -4.331  -2.889
  113    HA   ARG  72           HA       ARG  72 -10.659  -2.377  -1.582
  114    HB2  ARG  72           HB3      ARG  72  -9.771  -2.127  -3.869
  115    HB3  ARG  72           HB2      ARG  72 -10.923  -3.331  -4.438
  116    HG2  ARG  72           HG3      ARG  72 -11.796  -1.103  -4.902
  117    HG3  ARG  72           HG2      ARG  72 -12.789  -1.859  -3.665
  118    HD2  ARG  72           HD3      ARG  72 -10.465  -0.154  -2.811
  119    HD3  ARG  72           HD2      ARG  72 -11.946   0.628  -3.356
  120    HE   ARG  72           HE       ARG  72 -12.656  -1.336  -1.478
  121   HH11  ARG  72          HH21      ARG  72 -10.884   1.628  -1.707
  122   HH12  ARG  72          HH22      ARG  72 -11.189   2.099  -0.068
  123   HH21  ARG  72          HH11      ARG  72 -13.058  -0.726   0.674
  124   HH22  ARG  72          HH12      ARG  72 -12.419   0.765   1.279
  125    H    LEU  73           HN       LEU  73 -11.743  -5.302  -3.290
  126    HA   LEU  73           HA       LEU  73 -14.503  -4.930  -2.750
  127    HB2  LEU  73           HB3      LEU  73 -13.722  -6.379  -4.557
  128    HB3  LEU  73           HB2      LEU  73 -12.969  -7.462  -3.369
  129    HG   LEU  73           HG       LEU  73 -15.185  -7.944  -2.395
  130   HD11  LEU  73          HD11      LEU  73 -16.530  -6.045  -2.705
  131   HD12  LEU  73          HD12      LEU  73 -17.178  -7.139  -3.922
  132   HD13  LEU  73          HD13      LEU  73 -16.057  -5.860  -4.394
  133   HD21  LEU  73          HD21      LEU  73 -16.158  -9.070  -4.448
  134   HD22  LEU  73          HD22      LEU  73 -14.458  -9.417  -4.139
  135   HD23  LEU  73          HD23      LEU  73 -14.907  -8.255  -5.387
  136    H    VAL  74           HN       VAL  74 -11.957  -6.804  -1.182
  137    HA   VAL  74           HA       VAL  74 -13.552  -8.019   0.794
  138    HB   VAL  74           HB       VAL  74 -10.603  -7.393   0.630
  139   HG11  VAL  74          HG11      VAL  74 -10.478  -9.147   2.517
  140   HG12  VAL  74          HG12      VAL  74 -12.197  -8.842   2.768
  141   HG13  VAL  74          HG13      VAL  74 -11.030  -7.538   2.989
  142   HG21  VAL  74          HG21      VAL  74 -10.394  -9.683   0.000
  143   HG22  VAL  74          HG22      VAL  74 -11.787  -9.094  -0.909
  144   HG23  VAL  74          HG23      VAL  74 -12.027 -10.065   0.544
  145    H    LEU  75           HN       LEU  75 -11.598  -5.016   0.930
  146    HA   LEU  75           HA       LEU  75 -12.155  -4.468   3.645
  147    HB2  LEU  75           HB3      LEU  75 -11.432  -2.656   1.333
  148    HB3  LEU  75           HB2      LEU  75 -11.620  -2.066   2.995
  149    HG   LEU  75           HG       LEU  75  -9.743  -4.328   2.219
  150   HD11  LEU  75          HD11      LEU  75  -9.234  -1.355   2.514
  151   HD12  LEU  75          HD12      LEU  75  -8.970  -2.347   1.079
  152   HD13  LEU  75          HD13      LEU  75  -7.953  -2.567   2.502
  153   HD21  LEU  75          HD21      LEU  75 -10.329  -2.800   4.751
  154   HD22  LEU  75          HD22      LEU  75  -8.691  -3.388   4.474
  155   HD23  LEU  75          HD23      LEU  75 -10.034  -4.523   4.530
  156    H    ARG  76           HN       ARG  76 -13.788  -3.533   0.649
  157    HA   ARG  76           HA       ARG  76 -15.779  -1.940   1.884
  158    HB2  ARG  76           HB3      ARG  76 -15.705  -3.416  -0.743
  159    HB3  ARG  76           HB2      ARG  76 -17.085  -2.436  -0.245
  160    HG2  ARG  76           HG3      ARG  76 -15.606  -0.475  -0.002
  161    HG3  ARG  76           HG2      ARG  76 -14.228  -1.451  -0.507
  162    HD2  ARG  76           HD3      ARG  76 -16.709  -1.037  -2.193
  163    HD3  ARG  76           HD2      ARG  76 -15.240  -0.080  -2.360
  164    HE   ARG  76           HE       ARG  76 -14.478  -2.756  -2.532
  165   HH11  ARG  76          HH21      ARG  76 -16.506  -0.499  -4.194
  166   HH12  ARG  76          HH22      ARG  76 -16.303  -1.247  -5.744
  167   HH21  ARG  76          HH11      ARG  76 -14.205  -3.741  -4.561
  168   HH22  ARG  76          HH12      ARG  76 -14.999  -3.082  -5.951
  169    H    CYS  77           HN       CYS  77 -15.571  -5.366   1.103
  170    HA   CYS  77           HA       CYS  77 -18.209  -6.107   1.714
  171    HB2  CYS  77           HB3      CYS  77 -16.622  -7.580   0.541
  172    HB3  CYS  77           HB2      CYS  77 -15.660  -7.718   2.028
  173    HG   CYS  77           HG       CYS  77 -18.484  -8.512   2.646
  174    H    SER  78           HN       SER  78 -15.297  -6.021   3.754
  175    HA   SER  78           HA       SER  78 -16.476  -7.011   6.106
  176    HB2  SER  78           HB3      SER  78 -14.049  -6.840   5.823
  177    HB3  SER  78           HB2      SER  78 -14.169  -5.069   5.789
  178    HG   SER  78           HG       SER  78 -13.651  -5.818   7.873
  179    H    MET  79           HN       MET  79 -16.133  -3.690   4.890
  180    HA   MET  79           HA       MET  79 -17.498  -2.581   7.208
  181    HB2  MET  79           HB3      MET  79 -16.515  -1.316   4.637
  182    HB3  MET  79           HB2      MET  79 -17.226  -0.423   6.000
  183    HG2  MET  79           HG3      MET  79 -15.447  -1.242   7.482
  184    HG3  MET  79           HG2      MET  79 -14.757  -2.186   6.163
  185    HE1  MET  79           HE1      MET  79 -12.047   0.433   6.424
  186    HE2  MET  79           HE2      MET  79 -12.578  -1.229   6.663
  187    HE3  MET  79           HE3      MET  79 -13.013   0.003   7.843
  188    H    ASP  80           HN       ASP  80 -18.435  -4.016   4.301
  189    HA   ASP  80           HA       ASP  80 -21.193  -3.138   4.694
  190    HB2  ASP  80           HB3      ASP  80 -20.273  -1.460   3.133
  191    HB3  ASP  80           HB2      ASP  80 -19.788  -2.754   2.040
  Start of MODEL    4
    1    H1   ASP  59           HT1      ASP  59  -1.980  -5.088   3.104
    2    H2   ASP  59           HT2      ASP  59  -0.842  -5.493   1.909
    3    H3   ASP  59           HT3      ASP  59  -0.853  -3.933   2.582
    4    HA   ASP  59           HA       ASP  59   0.811  -4.746   3.837
    5    HB2  ASP  59           HB3      ASP  59  -1.062  -4.304   5.389
    6    HB3  ASP  59           HB2      ASP  59  -1.606  -5.985   5.198
    7    H    THR  60           HN       THR  60  -1.411  -7.252   2.774
    8    HA   THR  60           HA       THR  60   0.408  -9.416   3.416
    9    HB   THR  60           HB       THR  60  -1.287 -10.849   2.399
   10    HG1  THR  60           HG1      THR  60  -3.250  -9.361   1.818
   11   HG21  THR  60          HG21      THR  60  -2.601  -8.672   4.047
   12   HG22  THR  60          HG22      THR  60  -1.609  -9.965   4.722
   13   HG23  THR  60          HG23      THR  60  -3.123 -10.350   3.906
   14    H    LEU  61           HN       LEU  61   1.039 -10.974   1.699
   15    HA   LEU  61           HA       LEU  61   2.569  -9.686  -0.300
   16    HB2  LEU  61           HB3      LEU  61   1.748 -12.577   0.045
   17    HB3  LEU  61           HB2      LEU  61   2.876 -12.030  -1.191
   18    HG   LEU  61           HG       LEU  61   3.251 -11.534   1.778
   19   HD11  LEU  61          HD11      LEU  61   4.979 -13.337   1.607
   20   HD12  LEU  61          HD12      LEU  61   4.404 -13.684  -0.022
   21   HD13  LEU  61          HD13      LEU  61   3.336 -13.927   1.361
   22   HD21  LEU  61          HD21      LEU  61   5.717 -11.316   0.799
   23   HD22  LEU  61          HD22      LEU  61   4.610  -9.948   0.728
   24   HD23  LEU  61          HD23      LEU  61   4.864 -10.950  -0.701
   25    H    LEU  62           HN       LEU  62  -0.554 -11.343  -0.364
   26    HA   LEU  62           HA       LEU  62  -0.920 -11.261  -3.168
   27    HB2  LEU  62           HB3      LEU  62  -2.273 -12.694  -1.700
   28    HB3  LEU  62           HB2      LEU  62  -2.985 -11.263  -0.957
   29    HG   LEU  62           HG       LEU  62  -3.928 -10.594  -3.149
   30   HD11  LEU  62          HD11      LEU  62  -3.887 -12.569  -4.898
   31   HD12  LEU  62          HD12      LEU  62  -2.411 -13.036  -4.053
   32   HD13  LEU  62          HD13      LEU  62  -2.529 -11.450  -4.818
   33   HD21  LEU  62          HD21      LEU  62  -4.524 -13.378  -2.129
   34   HD22  LEU  62          HD22      LEU  62  -5.502 -12.594  -3.367
   35   HD23  LEU  62          HD23      LEU  62  -5.380 -11.881  -1.757
   36    H    GLY  63           HN       GLY  63  -1.848  -9.049  -0.549
   37    HA2  GLY  63           HA3      GLY  63  -3.283  -7.195  -2.106
   38    HA3  GLY  63           HA2      GLY  63  -2.445  -6.824  -0.583
   39    H    ARG  64           HN       ARG  64   0.071  -7.928  -1.816
   40    HA   ARG  64           HA       ARG  64   1.016  -5.434  -2.911
   41    HB2  ARG  64           HB3      ARG  64   2.284  -7.134  -1.363
   42    HB3  ARG  64           HB2      ARG  64   2.633  -7.973  -2.869
   43    HG2  ARG  64           HG3      ARG  64   4.480  -6.543  -2.656
   44    HG3  ARG  64           HG2      ARG  64   3.418  -5.630  -3.723
   45    HD2  ARG  64           HD3      ARG  64   2.659  -4.240  -1.890
   46    HD3  ARG  64           HD2      ARG  64   3.480  -5.258  -0.712
   47    HE   ARG  64           HE       ARG  64   5.411  -4.331  -2.515
   48   HH11  ARG  64          HH21      ARG  64   3.178  -3.126  -0.161
   49   HH12  ARG  64          HH22      ARG  64   4.154  -1.759   0.265
   50   HH21  ARG  64          HH11      ARG  64   6.694  -2.541  -1.961
   51   HH22  ARG  64          HH12      ARG  64   6.143  -1.428  -0.753
   52    H    MET  65           HN       MET  65  -1.026  -6.914  -4.392
   53    HA   MET  65           HA       MET  65   0.294  -6.890  -6.991
   54    HB2  MET  65           HB3      MET  65   0.508  -9.246  -6.143
   55    HB3  MET  65           HB2      MET  65  -1.251  -9.331  -6.091
   56    HG2  MET  65           HG3      MET  65  -0.492 -10.299  -8.190
   57    HG3  MET  65           HG2      MET  65  -1.310  -8.763  -8.530
   58    HE1  MET  65           HE1      MET  65   2.508  -9.621  -7.272
   59    HE2  MET  65           HE2      MET  65   3.101  -9.857  -8.913
   60    HE3  MET  65           HE3      MET  65   1.758 -10.828  -8.323
   61    H    LEU  66           HN       LEU  66  -2.703  -7.525  -5.185
   62    HA   LEU  66           HA       LEU  66  -4.196  -5.926  -7.193
   63    HB2  LEU  66           HB3      LEU  66  -5.152  -8.451  -5.819
   64    HB3  LEU  66           HB2      LEU  66  -6.097  -7.455  -6.919
   65    HG   LEU  66           HG       LEU  66  -3.491  -8.813  -7.671
   66   HD11  LEU  66          HD11      LEU  66  -6.374  -9.635  -8.105
   67   HD12  LEU  66          HD12      LEU  66  -5.122 -10.533  -7.247
   68   HD13  LEU  66          HD13      LEU  66  -5.021 -10.330  -8.995
   69   HD21  LEU  66          HD21      LEU  66  -5.535  -7.154  -9.156
   70   HD22  LEU  66          HD22      LEU  66  -4.576  -8.354 -10.021
   71   HD23  LEU  66          HD23      LEU  66  -3.777  -7.029  -9.184
   72    HA   PRO  67           HA       PRO  67  -4.823  -4.599  -2.745
   73    HB2  PRO  67           HB3      PRO  67  -3.750  -2.093  -2.903
   74    HB3  PRO  67           HB2      PRO  67  -2.760  -3.542  -2.562
   75    HG2  PRO  67           HG3      PRO  67  -3.171  -2.093  -5.159
   76    HG3  PRO  67           HG2      PRO  67  -1.661  -2.725  -4.441
   77    HD2  PRO  67           HD3      PRO  67  -3.040  -4.069  -6.392
   78    HD3  PRO  67           HD2      PRO  67  -2.093  -4.905  -5.141
   79    H    GLN  68           HN       GLN  68  -5.390  -3.190  -5.871
   80    HA   GLN  68           HA       GLN  68  -7.649  -1.587  -4.836
   81    HB2  GLN  68           HB3      GLN  68  -7.606  -0.439  -7.006
   82    HB3  GLN  68           HB2      GLN  68  -6.037  -0.332  -6.181
   83    HG2  GLN  68           HG3      GLN  68  -5.192  -2.202  -7.560
   84    HG3  GLN  68           HG2      GLN  68  -6.745  -2.307  -8.382
   85   HE21  GLN  68          HE21      GLN  68  -3.695  -1.111  -8.820
   86   HE22  GLN  68          HE22      GLN  68  -4.054   0.223  -9.833
   87    H    LEU  69           HN       LEU  69  -7.944  -4.362  -4.918
   88    HA   LEU  69           HA       LEU  69 -10.345  -4.559  -6.433
   89    HB2  LEU  69           HB3      LEU  69  -8.781  -4.861  -8.294
   90    HB3  LEU  69           HB2      LEU  69  -7.970  -6.155  -7.419
   91    HG   LEU  69           HG       LEU  69 -10.057  -7.487  -7.447
   92   HD11  LEU  69          HD11      LEU  69 -11.118  -4.986  -8.756
   93   HD12  LEU  69          HD12      LEU  69 -11.848  -5.973  -7.487
   94   HD13  LEU  69          HD13      LEU  69 -11.831  -6.551  -9.150
   95   HD21  LEU  69          HD21      LEU  69  -9.372  -6.460 -10.215
   96   HD22  LEU  69          HD22      LEU  69  -9.997  -8.055  -9.796
   97   HD23  LEU  69          HD23      LEU  69  -8.365  -7.593  -9.312
   98    H    VAL  70           HN       VAL  70  -7.807  -6.933  -5.477
   99    HA   VAL  70           HA       VAL  70  -9.715  -8.702  -4.331
  100    HB   VAL  70           HB       VAL  70  -6.725  -8.447  -3.941
  101   HG11  VAL  70          HG11      VAL  70  -7.022 -10.847  -3.058
  102   HG12  VAL  70          HG12      VAL  70  -8.729 -10.450  -2.875
  103   HG13  VAL  70          HG13      VAL  70  -7.512  -9.546  -1.973
  104   HG21  VAL  70          HG21      VAL  70  -7.638  -9.094  -6.205
  105   HG22  VAL  70          HG22      VAL  70  -8.388 -10.496  -5.440
  106   HG23  VAL  70          HG23      VAL  70  -6.630 -10.336  -5.460
  107    H    CYS  71           HN       CYS  71  -7.425  -6.413  -2.869
  108    HA   CYS  71           HA       CYS  71  -8.369  -6.761  -0.212
  109    HB2  CYS  71           HB3      CYS  71  -6.785  -4.550  -1.530
  110    HB3  CYS  71           HB2      CYS  71  -7.157  -4.588   0.203
  111    HG   CYS  71           HG       CYS  71  -5.835  -7.167  -0.778
  112    H    ARG  72           HN       ARG  72  -9.084  -4.551  -2.857
  113    HA   ARG  72           HA       ARG  72 -10.723  -2.763  -1.471
  114    HB2  ARG  72           HB3      ARG  72  -9.858  -2.375  -3.757
  115    HB3  ARG  72           HB2      ARG  72 -10.937  -3.630  -4.358
  116    HG2  ARG  72           HG3      ARG  72 -11.990  -1.486  -4.748
  117    HG3  ARG  72           HG2      ARG  72 -12.884  -2.303  -3.472
  118    HD2  ARG  72           HD3      ARG  72 -10.638  -0.447  -2.717
  119    HD3  ARG  72           HD2      ARG  72 -12.190   0.233  -3.193
  120    HE   ARG  72           HE       ARG  72 -12.671  -1.777  -1.287
  121   HH11  ARG  72          HH21      ARG  72 -11.159   1.319  -1.602
  122   HH12  ARG  72          HH22      ARG  72 -11.433   1.775   0.046
  123   HH21  ARG  72          HH11      ARG  72 -13.034  -1.185   0.878
  124   HH22  ARG  72          HH12      ARG  72 -12.495   0.357   1.450
  125    H    LEU  73           HN       LEU  73 -11.549  -5.702  -3.288
  126    HA   LEU  73           HA       LEU  73 -14.334  -5.594  -2.760
  127    HB2  LEU  73           HB3      LEU  73 -13.413  -6.907  -4.606
  128    HB3  LEU  73           HB2      LEU  73 -12.574  -7.958  -3.449
  129    HG   LEU  73           HG       LEU  73 -14.746  -8.668  -2.511
  130   HD11  LEU  73          HD11      LEU  73 -16.253  -6.887  -2.776
  131   HD12  LEU  73          HD12      LEU  73 -16.789  -7.993  -4.035
  132   HD13  LEU  73          HD13      LEU  73 -15.785  -6.605  -4.452
  133   HD21  LEU  73          HD21      LEU  73 -13.873 -10.011  -4.295
  134   HD22  LEU  73          HD22      LEU  73 -14.419  -8.853  -5.509
  135   HD23  LEU  73          HD23      LEU  73 -15.598  -9.809  -4.610
  136    H    VAL  74           HN       VAL  74 -11.646  -7.307  -1.235
  137    HA   VAL  74           HA       VAL  74 -13.152  -8.709   0.689
  138    HB   VAL  74           HB       VAL  74 -10.262  -7.837   0.567
  139   HG11  VAL  74          HG11      VAL  74 -11.745  -9.471   2.653
  140   HG12  VAL  74          HG12      VAL  74 -10.691  -8.082   2.918
  141   HG13  VAL  74          HG13      VAL  74 -10.005  -9.626   2.408
  142   HG21  VAL  74          HG21      VAL  74 -11.302  -9.593  -1.022
  143   HG22  VAL  74          HG22      VAL  74 -11.455 -10.618   0.403
  144   HG23  VAL  74          HG23      VAL  74  -9.862 -10.080  -0.130
  145    H    LEU  75           HN       LEU  75 -11.397  -5.598   0.948
  146    HA   LEU  75           HA       LEU  75 -12.071  -5.143   3.656
  147    HB2  LEU  75           HB3      LEU  75 -11.356  -3.245   1.410
  148    HB3  LEU  75           HB2      LEU  75 -11.612  -2.712   3.082
  149    HG   LEU  75           HG       LEU  75  -9.622  -4.868   2.288
  150   HD11  LEU  75          HD11      LEU  75  -9.259  -1.888   2.682
  151   HD12  LEU  75          HD12      LEU  75  -8.889  -2.833   1.238
  152   HD13  LEU  75          HD13      LEU  75  -7.921  -3.035   2.699
  153   HD21  LEU  75          HD21      LEU  75 -10.342  -3.456   4.854
  154   HD22  LEU  75          HD22      LEU  75  -8.673  -3.966   4.604
  155   HD23  LEU  75          HD23      LEU  75  -9.967  -5.157   4.581
  156    H    ARG  76           HN       ARG  76 -13.628  -4.239   0.617
  157    HA   ARG  76           HA       ARG  76 -15.724  -2.731   1.762
  158    HB2  ARG  76           HB3      ARG  76 -15.501  -4.229  -0.852
  159    HB3  ARG  76           HB2      ARG  76 -16.901  -3.242  -0.432
  160    HG2  ARG  76           HG3      ARG  76 -14.130  -2.062  -0.258
  161    HG3  ARG  76           HG2      ARG  76 -14.936  -2.175  -1.821
  162    HD2  ARG  76           HD3      ARG  76 -16.866  -0.917  -0.900
  163    HD3  ARG  76           HD2      ARG  76 -16.026  -0.769   0.640
  164    HE   ARG  76           HE       ARG  76 -14.338   0.220  -1.379
  165   HH11  ARG  76          HH21      ARG  76 -17.348   0.903   0.185
  166   HH12  ARG  76          HH22      ARG  76 -17.240   2.615  -0.048
  167   HH21  ARG  76          HH11      ARG  76 -14.187   2.465  -1.685
  168   HH22  ARG  76          HH12      ARG  76 -15.448   3.500  -1.106
  169    H    CYS  77           HN       CYS  77 -15.370  -6.145   0.983
  170    HA   CYS  77           HA       CYS  77 -18.010  -6.962   1.495
  171    HB2  CYS  77           HB3      CYS  77 -16.354  -8.379   0.352
  172    HB3  CYS  77           HB2      CYS  77 -15.427  -8.507   1.863
  173    HG   CYS  77           HG       CYS  77 -18.217  -9.389   2.445
  174    H    SER  78           HN       SER  78 -15.156  -6.871   3.624
  175    HA   SER  78           HA       SER  78 -16.435  -7.878   5.928
  176    HB2  SER  78           HB3      SER  78 -14.034  -6.059   5.628
  177    HB3  SER  78           HB2      SER  78 -14.541  -6.797   7.162
  178    HG   SER  78           HG       SER  78 -13.356  -8.399   6.467
  179    H    MET  79           HN       MET  79 -16.017  -4.582   4.704
  180    HA   MET  79           HA       MET  79 -18.266  -3.684   6.333
  181    HB2  MET  79           HB3      MET  79 -16.299  -3.382   7.815
  182    HB3  MET  79           HB2      MET  79 -15.541  -2.373   6.566
  183    HG2  MET  79           HG3      MET  79 -17.384  -0.770   6.700
  184    HG3  MET  79           HG2      MET  79 -18.223  -1.792   7.866
  185    HE1  MET  79           HE1      MET  79 -17.734   1.144   8.252
  186    HE2  MET  79           HE2      MET  79 -17.044   1.350   9.860
  187    HE3  MET  79           HE3      MET  79 -18.390   0.240   9.624
  188    H    ASP  80           HN       ASP  80 -19.373  -2.041   5.386
  189    HA   ASP  80           HA       ASP  80 -18.149  -0.448   3.263
  190    HB2  ASP  80           HB3      ASP  80 -18.952  -2.451   2.080
  191    HB3  ASP  80           HB2      ASP  80 -20.562  -2.205   2.755
  Start of MODEL    5
    1    H1   ASP  59           HT1      ASP  59  -3.031  -6.868   3.542
    2    H2   ASP  59           HT2      ASP  59  -2.067  -5.534   3.118
    3    H3   ASP  59           HT3      ASP  59  -3.045  -5.475   4.508
    4    HA   ASP  59           HA       ASP  59  -0.499  -5.951   4.697
    5    HB2  ASP  59           HB3      ASP  59  -0.959  -7.160   6.774
    6    HB3  ASP  59           HB2      ASP  59  -2.163  -5.874   6.551
    7    H    THR  60           HN       THR  60  -2.512  -8.030   2.961
    8    HA   THR  60           HA       THR  60  -0.927 -10.437   3.318
    9    HB   THR  60           HB       THR  60  -3.396 -10.490   2.898
   10    HG1  THR  60           HG1      THR  60  -3.120 -12.069   1.107
   11   HG21  THR  60          HG21      THR  60  -2.697  -9.839   0.038
   12   HG22  THR  60          HG22      THR  60  -3.220  -8.590   1.168
   13   HG23  THR  60          HG23      THR  60  -4.293  -9.933   0.778
   14    H    LEU  61           HN       LEU  61  -0.244 -11.569   1.207
   15    HA   LEU  61           HA       LEU  61   1.832 -10.051   0.032
   16    HB2  LEU  61           HB3      LEU  61   0.614 -12.733  -0.615
   17    HB3  LEU  61           HB2      LEU  61   1.899 -12.046  -1.606
   18    HG   LEU  61           HG       LEU  61   3.292 -11.809   0.475
   19   HD11  LEU  61          HD11      LEU  61   2.506 -13.332   2.393
   20   HD12  LEU  61          HD12      LEU  61   0.909 -13.248   1.653
   21   HD13  LEU  61          HD13      LEU  61   1.692 -11.778   2.232
   22   HD21  LEU  61          HD21      LEU  61   3.819 -14.221   0.632
   23   HD22  LEU  61          HD22      LEU  61   3.565 -13.731  -1.043
   24   HD23  LEU  61          HD23      LEU  61   2.298 -14.602  -0.177
   25    H    LEU  62           HN       LEU  62  -1.405 -10.931  -1.103
   26    HA   LEU  62           HA       LEU  62  -1.102  -9.926  -3.742
   27    HB2  LEU  62           HB3      LEU  62  -3.615 -10.199  -2.080
   28    HB3  LEU  62           HB2      LEU  62  -3.553  -9.961  -3.825
   29    HG   LEU  62           HG       LEU  62  -2.368 -12.324  -2.340
   30   HD11  LEU  62          HD11      LEU  62  -4.870 -12.020  -4.019
   31   HD12  LEU  62          HD12      LEU  62  -4.786 -12.433  -2.306
   32   HD13  LEU  62          HD13      LEU  62  -4.203 -13.574  -3.517
   33   HD21  LEU  62          HD21      LEU  62  -1.062 -12.172  -4.270
   34   HD22  LEU  62          HD22      LEU  62  -2.358 -11.444  -5.221
   35   HD23  LEU  62          HD23      LEU  62  -2.390 -13.169  -4.855
   36    H    GLY  63           HN       GLY  63  -1.475  -8.408  -0.712
   37    HA2  GLY  63           HA3      GLY  63  -2.808  -6.034  -1.416
   38    HA3  GLY  63           HA2      GLY  63  -1.620  -6.188  -0.101
   39    H    ARG  64           HN       ARG  64   0.249  -7.292  -2.269
   40    HA   ARG  64           HA       ARG  64   1.129  -4.683  -3.348
   41    HB2  ARG  64           HB3      ARG  64   2.590  -5.930  -1.602
   42    HB3  ARG  64           HB2      ARG  64   2.936  -7.058  -2.910
   43    HG2  ARG  64           HG3      ARG  64   3.825  -5.255  -4.292
   44    HG3  ARG  64           HG2      ARG  64   3.363  -4.059  -3.081
   45    HD2  ARG  64           HD3      ARG  64   5.332  -6.316  -2.628
   46    HD3  ARG  64           HD2      ARG  64   5.772  -4.640  -2.946
   47    HE   ARG  64           HE       ARG  64   4.035  -4.618  -0.761
   48   HH11  ARG  64          HH21      ARG  64   7.128  -5.899  -1.642
   49   HH12  ARG  64          HH22      ARG  64   7.762  -5.846  -0.031
   50   HH21  ARG  64          HH11      ARG  64   4.861  -4.546   1.354
   51   HH22  ARG  64          HH12      ARG  64   6.480  -5.081   1.664
   52    H    MET  65           HN       MET  65  -0.812  -6.393  -4.573
   53    HA   MET  65           HA       MET  65   0.481  -6.747  -7.148
   54    HB2  MET  65           HB3      MET  65   0.702  -8.942  -5.801
   55    HB3  MET  65           HB2      MET  65  -1.041  -9.096  -6.022
   56    HG2  MET  65           HG3      MET  65   0.019 -10.303  -7.824
   57    HG3  MET  65           HG2      MET  65  -0.656  -8.811  -8.511
   58    HE1  MET  65           HE1      MET  65   1.498 -10.428 -10.102
   59    HE2  MET  65           HE2      MET  65   2.441  -9.062 -10.689
   60    HE3  MET  65           HE3      MET  65   0.688  -8.925 -10.561
   61    H    LEU  66           HN       LEU  66  -2.460  -7.340  -5.250
   62    HA   LEU  66           HA       LEU  66  -4.069  -6.029  -7.372
   63    HB2  LEU  66           HB3      LEU  66  -4.831  -8.486  -5.772
   64    HB3  LEU  66           HB2      LEU  66  -5.854  -7.661  -6.942
   65    HG   LEU  66           HG       LEU  66  -3.160  -8.885  -7.607
   66   HD11  LEU  66          HD11      LEU  66  -4.618 -10.599  -8.802
   67   HD12  LEU  66          HD12      LEU  66  -5.978  -9.952  -7.886
   68   HD13  LEU  66          HD13      LEU  66  -4.622 -10.696  -7.041
   69   HD21  LEU  66          HD21      LEU  66  -3.584  -7.267  -9.264
   70   HD22  LEU  66          HD22      LEU  66  -5.328  -7.513  -9.203
   71   HD23  LEU  66          HD23      LEU  66  -4.293  -8.714  -9.974
   72    HA   PRO  67           HA       PRO  67  -4.721  -4.374  -3.034
   73    HB2  PRO  67           HB3      PRO  67  -3.841  -1.818  -3.436
   74    HB3  PRO  67           HB2      PRO  67  -2.742  -3.159  -2.997
   75    HG2  PRO  67           HG3      PRO  67  -3.313  -1.985  -5.700
   76    HG3  PRO  67           HG2      PRO  67  -1.745  -2.426  -4.967
   77    HD2  PRO  67           HD3      PRO  67  -3.031  -4.050  -6.749
   78    HD3  PRO  67           HD2      PRO  67  -2.019  -4.693  -5.437
   79    H    GLN  68           HN       GLN  68  -5.520  -3.349  -6.253
   80    HA   GLN  68           HA       GLN  68  -7.856  -1.814  -5.265
   81    HB2  GLN  68           HB3      GLN  68  -6.422  -1.792  -7.927
   82    HB3  GLN  68           HB2      GLN  68  -7.963  -0.960  -7.617
   83    HG2  GLN  68           HG3      GLN  68  -6.953   0.414  -5.912
   84    HG3  GLN  68           HG2      GLN  68  -5.454  -0.511  -5.974
   85   HE21  GLN  68          HE21      GLN  68  -5.846   2.413  -6.524
   86   HE22  GLN  68          HE22      GLN  68  -5.280   2.651  -8.122
   87    H    LEU  69           HN       LEU  69  -7.916  -4.611  -5.140
   88    HA   LEU  69           HA       LEU  69 -10.324  -5.127  -6.574
   89    HB2  LEU  69           HB3      LEU  69  -8.776  -5.446  -8.443
   90    HB3  LEU  69           HB2      LEU  69  -7.833  -6.585  -7.488
   91    HG   LEU  69           HG       LEU  69  -9.789  -8.096  -7.350
   92   HD11  LEU  69          HD11      LEU  69 -11.098  -5.820  -8.833
   93   HD12  LEU  69          HD12      LEU  69 -11.710  -6.753  -7.468
   94   HD13  LEU  69          HD13      LEU  69 -11.673  -7.470  -9.074
   95   HD21  LEU  69          HD21      LEU  69  -8.950  -7.172 -10.110
   96   HD22  LEU  69          HD22      LEU  69  -9.890  -8.637  -9.825
   97   HD23  LEU  69          HD23      LEU  69  -8.261  -8.493  -9.164
   98    H    VAL  70           HN       VAL  70  -7.560  -7.165  -5.474
   99    HA   VAL  70           HA       VAL  70  -9.276  -8.999  -4.132
  100    HB   VAL  70           HB       VAL  70  -6.316  -8.426  -3.851
  101   HG11  VAL  70          HG11      VAL  70  -8.088 -10.507  -2.545
  102   HG12  VAL  70          HG12      VAL  70  -6.965  -9.394  -1.761
  103   HG13  VAL  70          HG13      VAL  70  -6.348 -10.737  -2.727
  104   HG21  VAL  70          HG21      VAL  70  -6.060 -10.398  -5.213
  105   HG22  VAL  70          HG22      VAL  70  -7.262  -9.383  -6.010
  106   HG23  VAL  70          HG23      VAL  70  -7.774 -10.787  -5.072
  107    H    CYS  71           HN       CYS  71  -7.194  -6.376  -2.955
  108    HA   CYS  71           HA       CYS  71  -8.071  -6.538  -0.252
  109    HB2  CYS  71           HB3      CYS  71  -6.673  -4.359  -1.808
  110    HB3  CYS  71           HB2      CYS  71  -7.023  -4.258  -0.072
  111    HG   CYS  71           HG       CYS  71  -5.520  -6.812  -0.827
  112    H    ARG  72           HN       ARG  72  -8.987  -4.665  -3.091
  113    HA   ARG  72           HA       ARG  72 -10.688  -2.842  -1.857
  114    HB2  ARG  72           HB3      ARG  72  -9.932  -2.671  -4.205
  115    HB3  ARG  72           HB2      ARG  72 -10.962  -4.038  -4.614
  116    HG2  ARG  72           HG3      ARG  72 -12.131  -1.984  -5.185
  117    HG3  ARG  72           HG2      ARG  72 -12.947  -2.732  -3.818
  118    HD2  ARG  72           HD3      ARG  72 -10.791  -0.704  -3.281
  119    HD3  ARG  72           HD2      ARG  72 -12.380  -0.145  -3.788
  120    HE   ARG  72           HE       ARG  72 -12.754  -1.987  -1.705
  121   HH11  ARG  72          HH21      ARG  72 -11.333   1.112  -2.306
  122   HH12  ARG  72          HH22      ARG  72 -11.591   1.696  -0.696
  123   HH21  ARG  72          HH11      ARG  72 -13.093  -1.226   0.412
  124   HH22  ARG  72          HH12      ARG  72 -12.587   0.374   0.841
  125    H    LEU  73           HN       LEU  73 -11.420  -6.007  -3.299
  126    HA   LEU  73           HA       LEU  73 -14.182  -5.975  -2.661
  127    HB2  LEU  73           HB3      LEU  73 -13.269  -7.440  -4.391
  128    HB3  LEU  73           HB2      LEU  73 -12.332  -8.314  -3.164
  129    HG   LEU  73           HG       LEU  73 -14.423  -9.017  -2.056
  130   HD11  LEU  73          HD11      LEU  73 -16.559  -8.615  -3.550
  131   HD12  LEU  73          HD12      LEU  73 -15.647  -7.236  -4.162
  132   HD13  LEU  73          HD13      LEU  73 -16.030  -7.351  -2.443
  133   HD21  LEU  73          HD21      LEU  73 -15.297 -10.426  -3.974
  134   HD22  LEU  73          HD22      LEU  73 -13.554 -10.506  -3.726
  135   HD23  LEU  73          HD23      LEU  73 -14.214  -9.519  -5.029
  136    H    VAL  74           HN       VAL  74 -11.348  -7.357  -1.078
  137    HA   VAL  74           HA       VAL  74 -12.688  -8.617   1.053
  138    HB   VAL  74           HB       VAL  74  -9.866  -7.607   0.708
  139   HG11  VAL  74          HG11      VAL  74  -9.431  -9.174   2.712
  140   HG12  VAL  74          HG12      VAL  74 -11.164  -9.084   3.020
  141   HG13  VAL  74          HG13      VAL  74 -10.184  -7.621   3.087
  142   HG21  VAL  74          HG21      VAL  74 -10.852  -9.573  -0.643
  143   HG22  VAL  74          HG22      VAL  74 -10.903 -10.448   0.885
  144   HG23  VAL  74          HG23      VAL  74  -9.359  -9.891   0.240
  145    H    LEU  75           HN       LEU  75 -11.142  -5.389   0.889
  146    HA   LEU  75           HA       LEU  75 -11.697  -4.696   3.571
  147    HB2  LEU  75           HB3      LEU  75 -11.262  -3.002   1.103
  148    HB3  LEU  75           HB2      LEU  75 -11.469  -2.311   2.724
  149    HG   LEU  75           HG       LEU  75  -9.359  -4.389   2.038
  150   HD11  LEU  75          HD11      LEU  75  -7.786  -2.408   2.138
  151   HD12  LEU  75          HD12      LEU  75  -9.206  -1.365   2.095
  152   HD13  LEU  75          HD13      LEU  75  -8.853  -2.429   0.735
  153   HD21  LEU  75          HD21      LEU  75 -10.050  -2.760   4.479
  154   HD22  LEU  75          HD22      LEU  75  -8.362  -3.168   4.182
  155   HD23  LEU  75          HD23      LEU  75  -9.553  -4.449   4.366
  156    H    ARG  76           HN       ARG  76 -13.498  -4.209   0.567
  157    HA   ARG  76           HA       ARG  76 -15.637  -2.761   1.721
  158    HB2  ARG  76           HB3      ARG  76 -15.433  -4.434  -0.780
  159    HB3  ARG  76           HB2      ARG  76 -16.900  -3.558  -0.334
  160    HG2  ARG  76           HG3      ARG  76 -15.720  -1.444  -0.368
  161    HG3  ARG  76           HG2      ARG  76 -14.176  -2.256  -0.606
  162    HD2  ARG  76           HD3      ARG  76 -14.985  -1.385  -2.743
  163    HD3  ARG  76           HD2      ARG  76 -15.004  -3.148  -2.773
  164    HE   ARG  76           HE       ARG  76 -17.522  -2.129  -1.904
  165   HH11  ARG  76          HH21      ARG  76 -15.487  -2.546  -4.673
  166   HH12  ARG  76          HH22      ARG  76 -16.800  -2.628  -5.798
  167   HH21  ARG  76          HH11      ARG  76 -19.249  -2.233  -3.375
  168   HH22  ARG  76          HH12      ARG  76 -18.932  -2.450  -5.063
  169    H    CYS  77           HN       CYS  77 -15.050  -6.199   1.216
  170    HA   CYS  77           HA       CYS  77 -17.581  -7.169   1.954
  171    HB2  CYS  77           HB3      CYS  77 -15.870  -8.552   0.851
  172    HB3  CYS  77           HB2      CYS  77 -14.863  -8.465   2.314
  173    HG   CYS  77           HG       CYS  77 -17.540  -9.504   3.125
  174    H    SER  78           HN       SER  78 -14.647  -6.640   3.904
  175    HA   SER  78           HA       SER  78 -15.717  -7.534   6.355
  176    HB2  SER  78           HB3      SER  78 -13.845  -6.337   7.391
  177    HB3  SER  78           HB2      SER  78 -13.300  -7.214   5.947
  178    HG   SER  78           HG       SER  78 -13.538  -4.486   6.429
  179    H    MET  79           HN       MET  79 -15.832  -4.423   4.718
  180    HA   MET  79           HA       MET  79 -17.955  -3.546   6.517
  181    HB2  MET  79           HB3      MET  79 -15.794  -2.813   7.586
  182    HB3  MET  79           HB2      MET  79 -15.481  -1.835   6.136
  183    HG2  MET  79           HG3      MET  79 -16.511  -0.405   7.795
  184    HG3  MET  79           HG2      MET  79 -17.697  -0.697   6.526
  185    HE1  MET  79           HE1      MET  79 -19.582  -0.332   9.890
  186    HE2  MET  79           HE2      MET  79 -20.020  -0.232   8.186
  187    HE3  MET  79           HE3      MET  79 -18.541   0.540   8.754
  188    H    ASP  80           HN       ASP  80 -19.388  -2.214   5.520
  189    HA   ASP  80           HA       ASP  80 -19.007  -1.753   2.658
  190    HB2  ASP  80           HB3      ASP  80 -21.370  -1.184   2.645
  191    HB3  ASP  80           HB2      ASP  80 -21.137  -2.694   3.522
  Start of MODEL    6
    1    H1   ASP  59           HT1      ASP  59   0.106  -3.352   3.307
    2    H2   ASP  59           HT2      ASP  59  -1.371  -4.076   2.878
    3    H3   ASP  59           HT3      ASP  59   0.096  -4.839   2.489
    4    HA   ASP  59           HA       ASP  59   0.306  -4.537   5.166
    5    HB2  ASP  59           HB3      ASP  59  -2.567  -5.067   4.369
    6    HB3  ASP  59           HB2      ASP  59  -1.909  -5.541   5.948
    7    H    THR  60           HN       THR  60  -0.230  -6.205   2.295
    8    HA   THR  60           HA       THR  60   0.929  -8.651   3.398
    9    HB   THR  60           HB       THR  60  -0.771 -10.103   2.417
   10    HG1  THR  60           HG1      THR  60  -1.874  -7.623   1.643
   11   HG21  THR  60          HG21      THR  60  -2.167  -8.003   4.087
   12   HG22  THR  60          HG22      THR  60  -1.037  -9.176   4.765
   13   HG23  THR  60          HG23      THR  60  -2.528  -9.727   4.001
   14    H    LEU  61           HN       LEU  61   1.602 -10.149   1.666
   15    HA   LEU  61           HA       LEU  61   2.970  -8.777  -0.399
   16    HB2  LEU  61           HB3      LEU  61   2.419 -11.695   0.133
   17    HB3  LEU  61           HB2      LEU  61   3.283 -11.174  -1.313
   18    HG   LEU  61           HG       LEU  61   4.903  -9.953   0.169
   19   HD11  LEU  61          HD11      LEU  61   4.895 -10.805   2.596
   20   HD12  LEU  61          HD12      LEU  61   3.231 -11.300   2.296
   21   HD13  LEU  61          HD13      LEU  61   3.680  -9.598   2.179
   22   HD21  LEU  61          HD21      LEU  61   5.484 -12.153  -0.686
   23   HD22  LEU  61          HD22      LEU  61   4.552 -12.937   0.591
   24   HD23  LEU  61          HD23      LEU  61   6.022 -12.044   0.990
   25    H    LEU  62           HN       LEU  62  -0.036 -10.637  -0.329
   26    HA   LEU  62           HA       LEU  62  -0.518 -10.599  -3.116
   27    HB2  LEU  62           HB3      LEU  62  -1.691 -12.122  -1.587
   28    HB3  LEU  62           HB2      LEU  62  -2.483 -10.747  -0.821
   29    HG   LEU  62           HG       LEU  62  -3.574 -10.174  -2.965
   30   HD11  LEU  62          HD11      LEU  62  -2.178 -10.911  -4.696
   31   HD12  LEU  62          HD12      LEU  62  -3.437 -12.140  -4.720
   32   HD13  LEU  62          HD13      LEU  62  -1.893 -12.479  -3.940
   33   HD21  LEU  62          HD21      LEU  62  -4.857 -11.577  -1.526
   34   HD22  LEU  62          HD22      LEU  62  -3.883 -12.993  -1.918
   35   HD23  LEU  62          HD23      LEU  62  -4.972 -12.314  -3.124
   36    H    GLY  63           HN       GLY  63  -1.468  -8.423  -0.478
   37    HA2  GLY  63           HA3      GLY  63  -3.134  -6.706  -1.952
   38    HA3  GLY  63           HA2      GLY  63  -2.237  -6.257  -0.487
   39    H    ARG  64           HN       ARG  64   0.286  -7.150  -1.940
   40    HA   ARG  64           HA       ARG  64   0.837  -4.567  -3.180
   41    HB2  ARG  64           HB3      ARG  64   2.616  -6.901  -2.451
   42    HB3  ARG  64           HB2      ARG  64   3.194  -5.449  -3.265
   43    HG2  ARG  64           HG3      ARG  64   2.445  -4.062  -1.398
   44    HG3  ARG  64           HG2      ARG  64   1.763  -5.474  -0.592
   45    HD2  ARG  64           HD3      ARG  64   3.957  -4.953   0.363
   46    HD3  ARG  64           HD2      ARG  64   4.021  -6.490  -0.494
   47    HE   ARG  64           HE       ARG  64   5.454  -5.512  -2.056
   48   HH11  ARG  64          HH21      ARG  64   3.972  -3.138  -0.020
   49   HH12  ARG  64          HH22      ARG  64   4.974  -1.839  -0.572
   50   HH21  ARG  64          HH11      ARG  64   6.770  -3.812  -2.786
   51   HH22  ARG  64          HH12      ARG  64   6.558  -2.219  -2.139
   52    H    MET  65           HN       MET  65  -0.952  -6.435  -4.472
   53    HA   MET  65           HA       MET  65   0.328  -6.496  -7.091
   54    HB2  MET  65           HB3      MET  65   0.868  -8.705  -6.021
   55    HB3  MET  65           HB2      MET  65  -0.864  -9.024  -5.934
   56    HG2  MET  65           HG3      MET  65  -1.057  -8.823  -8.368
   57    HG3  MET  65           HG2      MET  65   0.669  -8.416  -8.486
   58    HE1  MET  65           HE1      MET  65   1.002 -10.304 -10.239
   59    HE2  MET  65           HE2      MET  65  -0.720 -10.658 -10.131
   60    HE3  MET  65           HE3      MET  65   0.451 -11.971 -10.032
   61    H    LEU  66           HN       LEU  66  -2.525  -7.273  -5.129
   62    HA   LEU  66           HA       LEU  66  -4.261  -6.171  -7.271
   63    HB2  LEU  66           HB3      LEU  66  -4.831  -8.574  -5.515
   64    HB3  LEU  66           HB2      LEU  66  -5.929  -7.883  -6.704
   65    HG   LEU  66           HG       LEU  66  -3.180  -8.980  -7.363
   66   HD11  LEU  66          HD11      LEU  66  -4.433 -10.899  -8.332
   67   HD12  LEU  66          HD12      LEU  66  -5.926 -10.232  -7.671
   68   HD13  LEU  66          HD13      LEU  66  -4.647 -10.778  -6.585
   69   HD21  LEU  66          HD21      LEU  66  -4.368  -9.016  -9.708
   70   HD22  LEU  66          HD22      LEU  66  -3.739  -7.488  -9.100
   71   HD23  LEU  66          HD23      LEU  66  -5.463  -7.838  -8.982
   72    HA   PRO  67           HA       PRO  67  -4.908  -4.331  -3.009
   73    HB2  PRO  67           HB3      PRO  67  -4.166  -1.751  -3.564
   74    HB3  PRO  67           HB2      PRO  67  -3.002  -3.004  -3.044
   75    HG2  PRO  67           HG3      PRO  67  -3.620  -2.021  -5.812
   76    HG3  PRO  67           HG2      PRO  67  -2.036  -2.357  -5.056
   77    HD2  PRO  67           HD3      PRO  67  -3.255  -4.130  -6.745
   78    HD3  PRO  67           HD2      PRO  67  -2.218  -4.655  -5.398
   79    H    GLN  68           HN       GLN  68  -5.676  -3.255  -6.262
   80    HA   GLN  68           HA       GLN  68  -8.157  -1.965  -5.283
   81    HB2  GLN  68           HB3      GLN  68  -6.520  -0.686  -6.754
   82    HB3  GLN  68           HB2      GLN  68  -7.005  -1.779  -8.066
   83    HG2  GLN  68           HG3      GLN  68  -9.326  -1.063  -7.853
   84    HG3  GLN  68           HG2      GLN  68  -8.934  -0.089  -6.439
   85   HE21  GLN  68          HE21      GLN  68 -10.073   1.431  -8.298
   86   HE22  GLN  68          HE22      GLN  68  -8.933   2.321  -9.215
   87    H    LEU  69           HN       LEU  69  -8.198  -4.647  -5.126
   88    HA   LEU  69           HA       LEU  69 -10.405  -5.322  -6.778
   89    HB2  LEU  69           HB3      LEU  69  -8.682  -5.632  -8.479
   90    HB3  LEU  69           HB2      LEU  69  -7.777  -6.684  -7.401
   91    HG   LEU  69           HG       LEU  69  -9.657  -8.295  -7.387
   92   HD11  LEU  69          HD11      LEU  69 -11.406  -7.830  -9.290
   93   HD12  LEU  69          HD12      LEU  69 -10.935  -6.144  -9.073
   94   HD13  LEU  69          HD13      LEU  69 -11.620  -7.052  -7.725
   95   HD21  LEU  69          HD21      LEU  69  -9.330  -9.125  -9.630
   96   HD22  LEU  69          HD22      LEU  69  -7.823  -8.361  -9.125
   97   HD23  LEU  69          HD23      LEU  69  -8.916  -7.515 -10.220
   98    H    VAL  70           HN       VAL  70  -7.730  -7.341  -5.459
   99    HA   VAL  70           HA       VAL  70  -9.569  -9.085  -4.154
  100    HB   VAL  70           HB       VAL  70  -6.599  -8.652  -3.772
  101   HG11  VAL  70          HG11      VAL  70  -6.809 -10.963  -2.647
  102   HG12  VAL  70          HG12      VAL  70  -8.530 -10.614  -2.512
  103   HG13  VAL  70          HG13      VAL  70  -7.356  -9.575  -1.707
  104   HG21  VAL  70          HG21      VAL  70  -7.394  -9.567  -5.965
  105   HG22  VAL  70          HG22      VAL  70  -8.181 -10.883  -5.092
  106   HG23  VAL  70          HG23      VAL  70  -6.425 -10.727  -5.055
  107    H    CYS  71           HN       CYS  71  -7.402  -6.557  -2.940
  108    HA   CYS  71           HA       CYS  71  -8.328  -6.655  -0.264
  109    HB2  CYS  71           HB3      CYS  71  -6.853  -4.534  -1.820
  110    HB3  CYS  71           HB2      CYS  71  -7.223  -4.401  -0.091
  111    HG   CYS  71           HG       CYS  71  -5.765  -6.995  -0.844
  112    H    ARG  72           HN       ARG  72  -9.173  -4.812  -3.134
  113    HA   ARG  72           HA       ARG  72 -10.831  -2.912  -1.966
  114    HB2  ARG  72           HB3      ARG  72 -10.083  -2.831  -4.311
  115    HB3  ARG  72           HB2      ARG  72 -11.116  -4.205  -4.681
  116    HG2  ARG  72           HG3      ARG  72 -12.268  -2.170  -5.337
  117    HG3  ARG  72           HG2      ARG  72 -13.100  -2.852  -3.947
  118    HD2  ARG  72           HD3      ARG  72 -10.932  -0.817  -3.493
  119    HD3  ARG  72           HD2      ARG  72 -12.525  -0.276  -4.009
  120    HE   ARG  72           HE       ARG  72 -12.865  -2.043  -1.847
  121   HH11  ARG  72          HH21      ARG  72 -11.520   1.054  -2.604
  122   HH12  ARG  72          HH22      ARG  72 -11.780   1.709  -1.022
  123   HH21  ARG  72          HH11      ARG  72 -13.208  -1.190   0.234
  124   HH22  ARG  72          HH12      ARG  72 -12.736   0.438   0.584
  125    H    LEU  73           HN       LEU  73 -11.669  -6.097  -3.328
  126    HA   LEU  73           HA       LEU  73 -14.429  -5.951  -2.662
  127    HB2  LEU  73           HB3      LEU  73 -12.604  -8.297  -3.236
  128    HB3  LEU  73           HB2      LEU  73 -14.355  -8.453  -2.999
  129    HG   LEU  73           HG       LEU  73 -13.074  -6.648  -5.082
  130   HD11  LEU  73          HD11      LEU  73 -12.549  -8.980  -5.585
  131   HD12  LEU  73          HD12      LEU  73 -13.785  -8.404  -6.704
  132   HD13  LEU  73          HD13      LEU  73 -14.235  -9.438  -5.350
  133   HD21  LEU  73          HD21      LEU  73 -15.904  -7.368  -4.332
  134   HD22  LEU  73          HD22      LEU  73 -15.535  -7.046  -6.026
  135   HD23  LEU  73          HD23      LEU  73 -15.236  -5.809  -4.813
  136    H    VAL  74           HN       VAL  74 -11.612  -7.332  -1.056
  137    HA   VAL  74           HA       VAL  74 -12.982  -8.549   1.090
  138    HB   VAL  74           HB       VAL  74 -10.145  -7.585   0.743
  139   HG11  VAL  74          HG11      VAL  74 -11.476  -9.003   3.071
  140   HG12  VAL  74          HG12      VAL  74 -10.479  -7.550   3.119
  141   HG13  VAL  74          HG13      VAL  74  -9.740  -9.116   2.778
  142   HG21  VAL  74          HG21      VAL  74 -11.225 -10.405   0.963
  143   HG22  VAL  74          HG22      VAL  74  -9.665  -9.885   0.327
  144   HG23  VAL  74          HG23      VAL  74 -11.141  -9.558  -0.581
  145    H    LEU  75           HN       LEU  75 -11.374  -5.356   0.870
  146    HA   LEU  75           HA       LEU  75 -11.938  -4.590   3.530
  147    HB2  LEU  75           HB3      LEU  75 -11.457  -2.960   1.028
  148    HB3  LEU  75           HB2      LEU  75 -11.651  -2.232   2.635
  149    HG   LEU  75           HG       LEU  75  -9.587  -4.367   1.987
  150   HD11  LEU  75          HD11      LEU  75  -9.348  -1.346   2.037
  151   HD12  LEU  75          HD12      LEU  75  -9.065  -2.412   0.660
  152   HD13  LEU  75          HD13      LEU  75  -7.966  -2.441   2.039
  153   HD21  LEU  75          HD21      LEU  75  -8.569  -3.140   4.119
  154   HD22  LEU  75          HD22      LEU  75  -9.787  -4.391   4.315
  155   HD23  LEU  75          HD23      LEU  75 -10.250  -2.694   4.406
  156    H    ARG  76           HN       ARG  76 -13.703  -4.123   0.501
  157    HA   ARG  76           HA       ARG  76 -15.818  -2.607   1.609
  158    HB2  ARG  76           HB3      ARG  76 -15.626  -4.324  -0.861
  159    HB3  ARG  76           HB2      ARG  76 -17.079  -3.414  -0.446
  160    HG2  ARG  76           HG3      ARG  76 -15.810  -1.323  -0.449
  161    HG3  ARG  76           HG2      ARG  76 -14.318  -2.202  -0.773
  162    HD2  ARG  76           HD3      ARG  76 -15.235  -2.987  -2.918
  163    HD3  ARG  76           HD2      ARG  76 -16.745  -2.143  -2.588
  164    HE   ARG  76           HE       ARG  76 -14.644  -0.279  -2.426
  165   HH11  ARG  76          HH21      ARG  76 -16.248  -2.324  -4.711
  166   HH12  ARG  76          HH22      ARG  76 -15.941  -1.285  -6.063
  167   HH21  ARG  76          HH11      ARG  76 -14.239   1.088  -4.195
  168   HH22  ARG  76          HH12      ARG  76 -14.804   0.646  -5.770
  169    H    CYS  77           HN       CYS  77 -15.316  -6.068   1.174
  170    HA   CYS  77           HA       CYS  77 -17.880  -6.952   1.910
  171    HB2  CYS  77           HB3      CYS  77 -16.205  -8.403   0.841
  172    HB3  CYS  77           HB2      CYS  77 -15.205  -8.321   2.307
  173    HG   CYS  77           HG       CYS  77 -17.922  -9.266   3.112
  174    H    SER  78           HN       SER  78 -14.944  -6.476   3.868
  175    HA   SER  78           HA       SER  78 -16.031  -7.310   6.326
  176    HB2  SER  78           HB3      SER  78 -13.621  -7.030   5.985
  177    HB3  SER  78           HB2      SER  78 -13.845  -5.281   5.786
  178    HG   SER  78           HG       SER  78 -13.453  -6.583   8.016
  179    H    MET  79           HN       MET  79 -15.848  -4.090   4.833
  180    HA   MET  79           HA       MET  79 -18.169  -3.232   6.367
  181    HB2  MET  79           HB3      MET  79 -17.062  -1.255   7.309
  182    HB3  MET  79           HB2      MET  79 -16.297  -2.745   7.902
  183    HG2  MET  79           HG3      MET  79 -14.553  -2.504   6.135
  184    HG3  MET  79           HG2      MET  79 -15.283  -0.975   5.650
  185    HE1  MET  79           HE1      MET  79 -12.054  -1.210   6.790
  186    HE2  MET  79           HE2      MET  79 -12.255   0.488   7.209
  187    HE3  MET  79           HE3      MET  79 -13.049  -0.158   5.773
  188    H    ASP  80           HN       ASP  80 -18.962  -1.115   5.656
  189    HA   ASP  80           HA       ASP  80 -18.549  -0.775   2.780
  190    HB2  ASP  80           HB3      ASP  80 -20.551   0.340   4.747
  191    HB3  ASP  80           HB2      ASP  80 -20.466   0.872   3.070
  Start of MODEL    7
    1    H1   ASP  59           HT1      ASP  59  -1.939  -5.690   5.047
    2    H2   ASP  59           HT2      ASP  59  -2.153  -4.013   4.893
    3    H3   ASP  59           HT3      ASP  59  -0.844  -4.626   5.787
    4    HA   ASP  59           HA       ASP  59  -1.220  -4.497   2.877
    5    HB2  ASP  59           HB3      ASP  59   1.165  -4.090   4.710
    6    HB3  ASP  59           HB2      ASP  59   1.114  -3.749   2.969
    7    H    THR  60           HN       THR  60  -1.743  -6.748   2.588
    8    HA   THR  60           HA       THR  60   0.161  -8.769   3.421
    9    HB   THR  60           HB       THR  60  -1.338 -10.331   2.294
   10    HG1  THR  60           HG1      THR  60  -3.309  -8.718   1.596
   11   HG21  THR  60          HG21      THR  60  -3.021  -8.263   3.721
   12   HG22  THR  60          HG22      THR  60  -1.903  -9.333   4.568
   13   HG23  THR  60          HG23      THR  60  -3.265 -10.009   3.674
   14    H    LEU  61           HN       LEU  61   1.057 -10.292   1.803
   15    HA   LEU  61           HA       LEU  61   2.647  -8.921  -0.095
   16    HB2  LEU  61           HB3      LEU  61   2.031 -11.864   0.260
   17    HB3  LEU  61           HB2      LEU  61   3.212 -11.252  -0.893
   18    HG   LEU  61           HG       LEU  61   3.292 -10.664   2.083
   19   HD11  LEU  61          HD11      LEU  61   3.599 -13.055   1.729
   20   HD12  LEU  61          HD12      LEU  61   5.155 -12.328   2.120
   21   HD13  LEU  61          HD13      LEU  61   4.775 -12.747   0.450
   22   HD21  LEU  61          HD21      LEU  61   5.060 -10.004  -0.268
   23   HD22  LEU  61          HD22      LEU  61   5.809 -10.270   1.305
   24   HD23  LEU  61          HD23      LEU  61   4.608  -9.000   1.106
   25    H    LEU  62           HN       LEU  62  -0.317 -10.831  -0.369
   26    HA   LEU  62           HA       LEU  62  -0.451 -10.831  -3.196
   27    HB2  LEU  62           HB3      LEU  62  -1.789 -12.357  -1.815
   28    HB3  LEU  62           HB2      LEU  62  -2.679 -10.987  -1.157
   29    HG   LEU  62           HG       LEU  62  -3.515 -10.434  -3.417
   30   HD11  LEU  62          HD11      LEU  62  -1.701 -12.716  -4.178
   31   HD12  LEU  62          HD12      LEU  62  -1.912 -11.151  -4.960
   32   HD13  LEU  62          HD13      LEU  62  -3.143 -12.393  -5.140
   33   HD21  LEU  62          HD21      LEU  62  -4.653 -12.114  -1.859
   34   HD22  LEU  62          HD22      LEU  62  -3.958 -13.377  -2.873
   35   HD23  LEU  62          HD23      LEU  62  -5.096 -12.221  -3.564
   36    H    GLY  63           HN       GLY  63  -1.762  -8.654  -0.721
   37    HA2  GLY  63           HA3      GLY  63  -3.230  -6.968  -2.431
   38    HA3  GLY  63           HA2      GLY  63  -2.557  -6.498  -0.854
   39    H    ARG  64           HN       ARG  64   0.143  -7.406  -1.933
   40    HA   ARG  64           HA       ARG  64   0.962  -4.826  -2.888
   41    HB2  ARG  64           HB3      ARG  64   2.290  -6.483  -1.383
   42    HB3  ARG  64           HB2      ARG  64   2.716  -7.275  -2.898
   43    HG2  ARG  64           HG3      ARG  64   3.709  -5.223  -3.751
   44    HG3  ARG  64           HG2      ARG  64   3.168  -4.329  -2.331
   45    HD2  ARG  64           HD3      ARG  64   5.087  -6.672  -2.273
   46    HD3  ARG  64           HD2      ARG  64   5.561  -4.979  -2.172
   47    HE   ARG  64           HE       ARG  64   3.670  -5.417  -0.163
   48   HH11  ARG  64          HH21      ARG  64   6.815  -6.517  -1.099
   49   HH12  ARG  64          HH22      ARG  64   7.336  -6.840   0.521
   50   HH21  ARG  64          HH11      ARG  64   4.348  -5.837   1.965
   51   HH22  ARG  64          HH12      ARG  64   5.939  -6.454   2.255
   52    H    MET  65           HN       MET  65  -0.895  -6.527  -4.502
   53    HA   MET  65           HA       MET  65   0.429  -6.112  -7.063
   54    HB2  MET  65           HB3      MET  65   1.088  -8.420  -6.484
   55    HB3  MET  65           HB2      MET  65  -0.613  -8.851  -6.306
   56    HG2  MET  65           HG3      MET  65  -1.050  -8.349  -8.643
   57    HG3  MET  65           HG2      MET  65   0.596  -7.718  -8.849
   58    HE1  MET  65           HE1      MET  65  -0.836 -12.028  -8.416
   59    HE2  MET  65           HE2      MET  65  -1.723 -10.527  -8.167
   60    HE3  MET  65           HE3      MET  65  -0.638 -11.119  -6.914
   61    H    LEU  66           HN       LEU  66  -2.447  -7.118  -5.261
   62    HA   LEU  66           HA       LEU  66  -4.137  -5.847  -7.344
   63    HB2  LEU  66           HB3      LEU  66  -4.792  -8.343  -5.757
   64    HB3  LEU  66           HB2      LEU  66  -5.846  -7.549  -6.921
   65    HG   LEU  66           HG       LEU  66  -3.117  -8.688  -7.592
   66   HD11  LEU  66          HD11      LEU  66  -4.395 -10.502  -8.699
   67   HD12  LEU  66          HD12      LEU  66  -5.892  -9.819  -8.070
   68   HD13  LEU  66          HD13      LEU  66  -4.686 -10.470  -6.960
   69   HD21  LEU  66          HD21      LEU  66  -4.243  -8.524  -9.959
   70   HD22  LEU  66          HD22      LEU  66  -3.584  -7.062  -9.234
   71   HD23  LEU  66          HD23      LEU  66  -5.321  -7.365  -9.182
   72    HA   PRO  67           HA       PRO  67  -4.823  -4.278  -2.975
   73    HB2  PRO  67           HB3      PRO  67  -4.038  -1.683  -3.357
   74    HB3  PRO  67           HB2      PRO  67  -2.897  -2.983  -2.905
   75    HG2  PRO  67           HG3      PRO  67  -3.469  -1.819  -5.613
   76    HG3  PRO  67           HG2      PRO  67  -1.898  -2.216  -4.859
   77    HD2  PRO  67           HD3      PRO  67  -3.102  -3.871  -6.669
   78    HD3  PRO  67           HD2      PRO  67  -2.098  -4.485  -5.337
   79    H    GLN  68           HN       GLN  68  -5.622  -3.270  -6.191
   80    HA   GLN  68           HA       GLN  68  -8.030  -1.822  -5.243
   81    HB2  GLN  68           HB3      GLN  68  -6.754  -1.860  -7.993
   82    HB3  GLN  68           HB2      GLN  68  -8.162  -0.897  -7.499
   83    HG2  GLN  68           HG3      GLN  68  -5.378  -0.679  -6.309
   84    HG3  GLN  68           HG2      GLN  68  -6.087   0.451  -7.458
   85   HE21  GLN  68          HE21      GLN  68  -5.485   0.139  -4.222
   86   HE22  GLN  68          HE22      GLN  68  -6.783   1.069  -3.600
   87    H    LEU  69           HN       LEU  69  -8.010  -4.595  -5.017
   88    HA   LEU  69           HA       LEU  69 -10.371  -5.243  -6.473
   89    HB2  LEU  69           HB3      LEU  69  -8.277  -5.578  -8.086
   90    HB3  LEU  69           HB2      LEU  69  -8.121  -7.095  -7.208
   91    HG   LEU  69           HG       LEU  69 -10.664  -6.162  -8.581
   92   HD11  LEU  69          HD11      LEU  69  -8.586  -8.199  -9.434
   93   HD12  LEU  69          HD12      LEU  69  -8.898  -6.649 -10.215
   94   HD13  LEU  69          HD13      LEU  69 -10.126  -7.915 -10.246
   95   HD21  LEU  69          HD21      LEU  69 -11.199  -8.653  -8.261
   96   HD22  LEU  69          HD22      LEU  69 -11.224  -7.657  -6.805
   97   HD23  LEU  69          HD23      LEU  69  -9.837  -8.692  -7.139
   98    H    VAL  70           HN       VAL  70  -7.602  -7.226  -5.276
   99    HA   VAL  70           HA       VAL  70  -9.330  -9.007  -3.885
  100    HB   VAL  70           HB       VAL  70  -6.374  -8.428  -3.582
  101   HG11  VAL  70          HG11      VAL  70  -8.174 -10.460  -2.238
  102   HG12  VAL  70          HG12      VAL  70  -7.051  -9.334  -1.476
  103   HG13  VAL  70          HG13      VAL  70  -6.435 -10.709  -2.393
  104   HG21  VAL  70          HG21      VAL  70  -7.852 -10.787  -4.792
  105   HG22  VAL  70          HG22      VAL  70  -6.115 -10.492  -4.841
  106   HG23  VAL  70          HG23      VAL  70  -7.213  -9.439  -5.732
  107    H    CYS  71           HN       CYS  71  -7.249  -6.358  -2.777
  108    HA   CYS  71           HA       CYS  71  -8.125  -6.431  -0.079
  109    HB2  CYS  71           HB3      CYS  71  -6.750  -4.295  -1.711
  110    HB3  CYS  71           HB2      CYS  71  -7.096  -4.134   0.021
  111    HG   CYS  71           HG       CYS  71  -5.569  -6.699  -0.674
  112    H    ARG  72           HN       ARG  72  -9.074  -4.672  -2.969
  113    HA   ARG  72           HA       ARG  72 -10.799  -2.824  -1.798
  114    HB2  ARG  72           HB3      ARG  72 -10.038  -2.728  -4.149
  115    HB3  ARG  72           HB2      ARG  72 -11.045  -4.123  -4.514
  116    HG2  ARG  72           HG3      ARG  72 -12.251  -2.122  -5.168
  117    HG3  ARG  72           HG2      ARG  72 -13.053  -2.809  -3.761
  118    HD2  ARG  72           HD3      ARG  72 -10.921  -0.729  -3.343
  119    HD3  ARG  72           HD2      ARG  72 -12.523  -0.221  -3.859
  120    HE   ARG  72           HE       ARG  72 -12.848  -1.964  -1.686
  121   HH11  ARG  72          HH21      ARG  72 -11.479   1.121  -2.449
  122   HH12  ARG  72          HH22      ARG  72 -11.732   1.779  -0.867
  123   HH21  ARG  72          HH11      ARG  72 -13.182  -1.107   0.392
  124   HH22  ARG  72          HH12      ARG  72 -12.697   0.518   0.740
  125    H    LEU  73           HN       LEU  73 -11.515  -6.042  -3.147
  126    HA   LEU  73           HA       LEU  73 -14.280  -5.993  -2.477
  127    HB2  LEU  73           HB3      LEU  73 -12.374  -8.275  -3.051
  128    HB3  LEU  73           HB2      LEU  73 -14.118  -8.492  -2.806
  129    HG   LEU  73           HG       LEU  73 -12.912  -6.651  -4.902
  130   HD11  LEU  73          HD11      LEU  73 -14.077  -9.431  -5.248
  131   HD12  LEU  73          HD12      LEU  73 -12.355  -9.051  -5.291
  132   HD13  LEU  73          HD13      LEU  73 -13.434  -8.399  -6.524
  133   HD21  LEU  73          HD21      LEU  73 -15.711  -7.459  -4.128
  134   HD22  LEU  73          HD22      LEU  73 -15.365  -7.138  -5.826
  135   HD23  LEU  73          HD23      LEU  73 -15.098  -5.882  -4.625
  136    H    VAL  74           HN       VAL  74 -11.406  -7.267  -0.876
  137    HA   VAL  74           HA       VAL  74 -12.726  -8.519   1.283
  138    HB   VAL  74           HB       VAL  74  -9.925  -7.453   0.920
  139   HG11  VAL  74          HG11      VAL  74  -9.461  -8.941   2.972
  140   HG12  VAL  74          HG12      VAL  74 -11.200  -8.896   3.267
  141   HG13  VAL  74          HG13      VAL  74 -10.263  -7.403   3.298
  142   HG21  VAL  74          HG21      VAL  74  -9.362  -9.731   0.513
  143   HG22  VAL  74          HG22      VAL  74 -10.870  -9.488  -0.371
  144   HG23  VAL  74          HG23      VAL  74 -10.885 -10.313   1.186
  145    H    LEU  75           HN       LEU  75 -11.217  -5.283   1.036
  146    HA   LEU  75           HA       LEU  75 -11.850  -4.496   3.678
  147    HB2  LEU  75           HB3      LEU  75 -11.352  -2.890   1.161
  148    HB3  LEU  75           HB2      LEU  75 -11.596  -2.147   2.752
  149    HG   LEU  75           HG       LEU  75  -9.470  -4.241   2.177
  150   HD11  LEU  75          HD11      LEU  75  -9.129  -2.161   0.846
  151   HD12  LEU  75          HD12      LEU  75  -7.874  -2.396   2.062
  152   HD13  LEU  75          HD13      LEU  75  -9.166  -1.228   2.344
  153   HD21  LEU  75          HD21      LEU  75  -8.523  -2.963   4.309
  154   HD22  LEU  75          HD22      LEU  75  -9.718  -4.236   4.501
  155   HD23  LEU  75          HD23      LEU  75 -10.217  -2.546   4.557
  156    H    ARG  76           HN       ARG  76 -13.556  -4.164   0.606
  157    HA   ARG  76           HA       ARG  76 -15.729  -2.656   1.595
  158    HB2  ARG  76           HB3      ARG  76 -15.452  -4.509  -0.774
  159    HB3  ARG  76           HB2      ARG  76 -16.924  -3.600  -0.449
  160    HG2  ARG  76           HG3      ARG  76 -14.266  -2.182  -0.584
  161    HG3  ARG  76           HG2      ARG  76 -15.132  -2.579  -2.066
  162    HD2  ARG  76           HD3      ARG  76 -16.243  -0.932   0.233
  163    HD3  ARG  76           HD2      ARG  76 -15.679  -0.300  -1.304
  164    HE   ARG  76           HE       ARG  76 -18.189  -1.675  -0.817
  165   HH11  ARG  76          HH21      ARG  76 -15.790  -0.678  -3.102
  166   HH12  ARG  76          HH22      ARG  76 -16.866  -0.723  -4.459
  167   HH21  ARG  76          HH11      ARG  76 -19.604  -1.737  -2.591
  168   HH22  ARG  76          HH12      ARG  76 -19.025  -1.324  -4.169
  169    H    CYS  77           HN       CYS  77 -15.132  -6.113   1.328
  170    HA   CYS  77           HA       CYS  77 -17.685  -7.035   2.049
  171    HB2  CYS  77           HB3      CYS  77 -15.943  -8.484   1.086
  172    HB3  CYS  77           HB2      CYS  77 -14.981  -8.306   2.568
  173    HG   CYS  77           HG       CYS  77 -17.698  -9.298   3.335
  174    H    SER  78           HN       SER  78 -14.806  -6.389   4.045
  175    HA   SER  78           HA       SER  78 -15.947  -7.123   6.518
  176    HB2  SER  78           HB3      SER  78 -13.721  -5.180   5.862
  177    HB3  SER  78           HB2      SER  78 -14.134  -5.706   7.506
  178    HG   SER  78           HG       SER  78 -13.897  -7.910   6.543
  179    H    MET  79           HN       MET  79 -15.840  -4.036   4.785
  180    HA   MET  79           HA       MET  79 -18.131  -3.084   6.320
  181    HB2  MET  79           HB3      MET  79 -16.179  -2.389   7.682
  182    HB3  MET  79           HB2      MET  79 -15.528  -1.530   6.269
  183    HG2  MET  79           HG3      MET  79 -17.502  -0.085   6.202
  184    HG3  MET  79           HG2      MET  79 -18.233  -0.979   7.536
  185    HE1  MET  79           HE1      MET  79 -18.387   1.420   9.224
  186    HE2  MET  79           HE2      MET  79 -18.239   1.767   7.503
  187    HE3  MET  79           HE3      MET  79 -17.231   2.634   8.660
  188    H    ASP  80           HN       ASP  80 -19.393  -1.711   5.162
  189    HA   ASP  80           HA       ASP  80 -18.346  -0.374   2.784
  190    HB2  ASP  80           HB3      ASP  80 -19.984  -1.355   1.281
  191    HB3  ASP  80           HB2      ASP  80 -19.007  -2.636   1.996
  Start of MODEL    8
    1    H1   ASP  59           HT1      ASP  59   2.663  -9.356   5.761
    2    H2   ASP  59           HT2      ASP  59   2.389  -8.009   6.760
    3    H3   ASP  59           HT3      ASP  59   3.136  -7.809   5.248
    4    HA   ASP  59           HA       ASP  59   0.318  -8.191   5.903
    5    HB2  ASP  59           HB3      ASP  59   0.051  -6.602   4.061
    6    HB3  ASP  59           HB2      ASP  59   1.282  -6.006   5.193
    7    H    THR  60           HN       THR  60  -0.855  -8.364   3.524
    8    HA   THR  60           HA       THR  60  -0.305 -11.095   2.708
    9    HB   THR  60           HB       THR  60  -2.616 -10.530   2.996
   10    HG1  THR  60           HG1      THR  60  -3.312 -10.747   0.718
   11   HG21  THR  60          HG21      THR  60  -3.559  -8.743   1.330
   12   HG22  THR  60          HG22      THR  60  -1.899  -8.153   1.298
   13   HG23  THR  60          HG23      THR  60  -2.788  -8.204   2.820
   14    H    LEU  61           HN       LEU  61   0.332 -11.771   0.714
   15    HA   LEU  61           HA       LEU  61   2.092 -10.111  -0.751
   16    HB2  LEU  61           HB3      LEU  61   0.898 -12.829  -1.284
   17    HB3  LEU  61           HB2      LEU  61   1.960 -12.046  -2.451
   18    HG   LEU  61           HG       LEU  61   3.680 -11.809  -0.626
   19   HD11  LEU  61          HD11      LEU  61   2.412 -11.943   1.381
   20   HD12  LEU  61          HD12      LEU  61   3.310 -13.457   1.317
   21   HD13  LEU  61          HD13      LEU  61   1.606 -13.425   0.866
   22   HD21  LEU  61          HD21      LEU  61   2.731 -14.626  -1.229
   23   HD22  LEU  61          HD22      LEU  61   4.351 -14.182  -0.696
   24   HD23  LEU  61          HD23      LEU  61   3.764 -13.649  -2.270
   25    H    LEU  62           HN       LEU  62  -1.260 -11.098  -1.291
   26    HA   LEU  62           HA       LEU  62  -1.520 -10.085  -3.914
   27    HB2  LEU  62           HB3      LEU  62  -3.568 -10.452  -1.729
   28    HB3  LEU  62           HB2      LEU  62  -3.966 -10.032  -3.392
   29    HG   LEU  62           HG       LEU  62  -2.420 -12.507  -2.566
   30   HD11  LEU  62          HD11      LEU  62  -5.263 -12.365  -3.582
   31   HD12  LEU  62          HD12      LEU  62  -4.872 -12.381  -1.862
   32   HD13  LEU  62          HD13      LEU  62  -4.433 -13.752  -2.879
   33   HD21  LEU  62          HD21      LEU  62  -1.795 -12.199  -4.781
   34   HD22  LEU  62          HD22      LEU  62  -3.272 -11.332  -5.198
   35   HD23  LEU  62          HD23      LEU  62  -3.293 -13.087  -5.032
   36    H    GLY  63           HN       GLY  63  -1.951  -8.585  -0.754
   37    HA2  GLY  63           HA3      GLY  63  -3.122  -6.180  -1.591
   38    HA3  GLY  63           HA2      GLY  63  -2.077  -6.349  -0.162
   39    H    ARG  64           HN       ARG  64  -0.044  -7.519  -2.144
   40    HA   ARG  64           HA       ARG  64   1.067  -4.932  -3.033
   41    HB2  ARG  64           HB3      ARG  64   2.298  -6.481  -1.330
   42    HB3  ARG  64           HB2      ARG  64   2.666  -7.471  -2.742
   43    HG2  ARG  64           HG3      ARG  64   3.615  -5.411  -3.846
   44    HG3  ARG  64           HG2      ARG  64   3.393  -4.557  -2.321
   45    HD2  ARG  64           HD3      ARG  64   5.056  -7.062  -2.699
   46    HD3  ARG  64           HD2      ARG  64   5.698  -5.430  -2.543
   47    HE   ARG  64           HE       ARG  64   4.579  -7.075  -0.407
   48   HH11  ARG  64          HH21      ARG  64   5.574  -3.949  -1.515
   49   HH12  ARG  64          HH22      ARG  64   5.790  -3.303   0.077
   50   HH21  ARG  64          HH11      ARG  64   4.859  -6.233   1.681
   51   HH22  ARG  64          HH12      ARG  64   5.385  -4.594   1.886
   52    H    MET  65           HN       MET  65  -0.936  -6.622  -4.447
   53    HA   MET  65           HA       MET  65   0.438  -6.686  -7.016
   54    HB2  MET  65           HB3      MET  65   0.815  -8.958  -6.031
   55    HB3  MET  65           HB2      MET  65  -0.935  -9.179  -5.993
   56    HG2  MET  65           HG3      MET  65  -1.041  -8.823  -8.434
   57    HG3  MET  65           HG2      MET  65   0.720  -8.609  -8.475
   58    HE1  MET  65           HE1      MET  65   2.370 -10.123  -7.863
   59    HE2  MET  65           HE2      MET  65   2.289 -11.881  -7.903
   60    HE3  MET  65           HE3      MET  65   1.844 -11.020  -6.432
   61    H    LEU  66           HN       LEU  66  -2.545  -7.405  -5.227
   62    HA   LEU  66           HA       LEU  66  -4.115  -6.117  -7.389
   63    HB2  LEU  66           HB3      LEU  66  -4.908  -8.543  -5.759
   64    HB3  LEU  66           HB2      LEU  66  -5.898  -7.747  -6.976
   65    HG   LEU  66           HG       LEU  66  -3.192  -8.995  -7.527
   66   HD11  LEU  66          HD11      LEU  66  -4.450 -10.818  -8.581
   67   HD12  LEU  66          HD12      LEU  66  -5.972 -10.045  -8.137
   68   HD13  LEU  66          HD13      LEU  66  -4.902 -10.673  -6.882
   69   HD21  LEU  66          HD21      LEU  66  -3.541  -7.402  -9.228
   70   HD22  LEU  66          HD22      LEU  66  -5.289  -7.632  -9.222
   71   HD23  LEU  66          HD23      LEU  66  -4.241  -8.855  -9.936
   72    HA   PRO  67           HA       PRO  67  -4.901  -4.380  -3.099
   73    HB2  PRO  67           HB3      PRO  67  -4.039  -1.824  -3.543
   74    HB3  PRO  67           HB2      PRO  67  -2.936  -3.138  -3.035
   75    HG2  PRO  67           HG3      PRO  67  -3.439  -2.041  -5.784
   76    HG3  PRO  67           HG2      PRO  67  -1.888  -2.442  -4.991
   77    HD2  PRO  67           HD3      PRO  67  -3.093  -4.127  -6.771
   78    HD3  PRO  67           HD2      PRO  67  -2.122  -4.725  -5.406
   79    H    GLN  68           HN       GLN  68  -5.604  -3.482  -6.369
   80    HA   GLN  68           HA       GLN  68  -7.969  -1.911  -5.530
   81    HB2  GLN  68           HB3      GLN  68  -8.042  -1.092  -7.838
   82    HB3  GLN  68           HB2      GLN  68  -6.473  -0.756  -7.083
   83    HG2  GLN  68           HG3      GLN  68  -5.520  -2.750  -8.197
   84    HG3  GLN  68           HG2      GLN  68  -7.075  -3.067  -8.961
   85   HE21  GLN  68          HE21      GLN  68  -4.116  -1.746  -9.627
   86   HE22  GLN  68          HE22      GLN  68  -4.580  -0.598 -10.809
   87    H    LEU  69           HN       LEU  69  -8.011  -4.705  -5.224
   88    HA   LEU  69           HA       LEU  69 -10.431  -5.303  -6.597
   89    HB2  LEU  69           HB3      LEU  69  -8.914  -5.724  -8.470
   90    HB3  LEU  69           HB2      LEU  69  -7.958  -6.811  -7.471
   91    HG   LEU  69           HG       LEU  69  -9.910  -8.311  -7.223
   92   HD11  LEU  69          HD11      LEU  69 -11.832  -6.974  -7.376
   93   HD12  LEU  69          HD12      LEU  69 -11.823  -7.773  -8.946
   94   HD13  LEU  69          HD13      LEU  69 -11.244  -6.115  -8.801
   95   HD21  LEU  69          HD21      LEU  69  -9.344  -7.584 -10.114
   96   HD22  LEU  69          HD22      LEU  69  -9.935  -9.139  -9.526
   97   HD23  LEU  69          HD23      LEU  69  -8.309  -8.599  -9.108
   98    H    VAL  70           HN       VAL  70  -7.648  -7.262  -5.405
   99    HA   VAL  70           HA       VAL  70  -9.327  -9.055  -3.977
  100    HB   VAL  70           HB       VAL  70  -6.387  -8.390  -3.692
  101   HG11  VAL  70          HG11      VAL  70  -7.036  -9.270  -1.564
  102   HG12  VAL  70          HG12      VAL  70  -6.372 -10.641  -2.454
  103   HG13  VAL  70          HG13      VAL  70  -8.118 -10.450  -2.303
  104   HG21  VAL  70          HG21      VAL  70  -6.104 -10.531  -4.867
  105   HG22  VAL  70          HG22      VAL  70  -7.131  -9.455  -5.817
  106   HG23  VAL  70          HG23      VAL  70  -7.852 -10.768  -4.886
  107    H    CYS  71           HN       CYS  71  -7.319  -6.327  -2.905
  108    HA   CYS  71           HA       CYS  71  -8.209  -6.389  -0.210
  109    HB2  CYS  71           HB3      CYS  71  -6.865  -4.247  -1.858
  110    HB3  CYS  71           HB2      CYS  71  -7.243  -4.061  -0.133
  111    HG   CYS  71           HG       CYS  71  -5.672  -6.615  -0.704
  112    H    ARG  72           HN       ARG  72  -9.181  -4.679  -3.125
  113    HA   ARG  72           HA       ARG  72 -10.940  -2.852  -1.979
  114    HB2  ARG  72           HB3      ARG  72 -10.186  -2.769  -4.331
  115    HB3  ARG  72           HB2      ARG  72 -11.162  -4.193  -4.675
  116    HG2  ARG  72           HG3      ARG  72 -12.404  -2.219  -5.357
  117    HG3  ARG  72           HG2      ARG  72 -13.200  -2.921  -3.953
  118    HD2  ARG  72           HD3      ARG  72 -11.123  -0.787  -3.524
  119    HD3  ARG  72           HD2      ARG  72 -12.733  -0.319  -4.057
  120    HE   ARG  72           HE       ARG  72 -13.021  -2.069  -1.879
  121   HH11  ARG  72          HH21      ARG  72 -11.772   1.064  -2.651
  122   HH12  ARG  72          HH22      ARG  72 -12.067   1.721  -1.077
  123   HH21  ARG  72          HH11      ARG  72 -13.411  -1.214   0.189
  124   HH22  ARG  72          HH12      ARG  72 -12.996   0.433   0.532
  125    H    LEU  73           HN       LEU  73 -11.596  -6.106  -3.273
  126    HA   LEU  73           HA       LEU  73 -14.361  -6.095  -2.609
  127    HB2  LEU  73           HB3      LEU  73 -12.407  -8.352  -3.118
  128    HB3  LEU  73           HB2      LEU  73 -14.148  -8.598  -2.874
  129    HG   LEU  73           HG       LEU  73 -12.969  -6.788  -5.011
  130   HD11  LEU  73          HD11      LEU  73 -12.372  -9.202  -5.312
  131   HD12  LEU  73          HD12      LEU  73 -13.414  -8.579  -6.592
  132   HD13  LEU  73          HD13      LEU  73 -14.093  -9.589  -5.315
  133   HD21  LEU  73          HD21      LEU  73 -15.405  -7.348  -5.937
  134   HD22  LEU  73          HD22      LEU  73 -15.173  -6.059  -4.762
  135   HD23  LEU  73          HD23      LEU  73 -15.755  -7.637  -4.233
  136    H    VAL  74           HN       VAL  74 -11.469  -7.266  -0.969
  137    HA   VAL  74           HA       VAL  74 -12.764  -8.495   1.217
  138    HB   VAL  74           HB       VAL  74  -9.984  -7.387   0.826
  139   HG11  VAL  74          HG11      VAL  74 -11.230  -8.795   3.208
  140   HG12  VAL  74          HG12      VAL  74 -10.311  -7.291   3.202
  141   HG13  VAL  74          HG13      VAL  74  -9.492  -8.826   2.910
  142   HG21  VAL  74          HG21      VAL  74  -9.381  -9.663   0.468
  143   HG22  VAL  74          HG22      VAL  74 -10.892  -9.463  -0.419
  144   HG23  VAL  74          HG23      VAL  74 -10.894 -10.256   1.155
  145    H    LEU  75           HN       LEU  75 -11.343  -5.221   0.902
  146    HA   LEU  75           HA       LEU  75 -11.948  -4.419   3.543
  147    HB2  LEU  75           HB3      LEU  75 -11.561  -2.828   0.998
  148    HB3  LEU  75           HB2      LEU  75 -11.795  -2.072   2.587
  149    HG   LEU  75           HG       LEU  75  -9.611  -4.099   1.986
  150   HD11  LEU  75          HD11      LEU  75  -9.316  -2.065   0.623
  151   HD12  LEU  75          HD12      LEU  75  -8.086  -2.163   1.884
  152   HD13  LEU  75          HD13      LEU  75  -9.458  -1.071   2.073
  153   HD21  LEU  75          HD21      LEU  75  -8.669  -2.765   4.089
  154   HD22  LEU  75          HD22      LEU  75  -9.805  -4.086   4.313
  155   HD23  LEU  75          HD23      LEU  75 -10.374  -2.420   4.369
  156    H    ARG  76           HN       ARG  76 -13.735  -4.142   0.506
  157    HA   ARG  76           HA       ARG  76 -15.934  -2.717   1.571
  158    HB2  ARG  76           HB3      ARG  76 -15.643  -4.496  -0.847
  159    HB3  ARG  76           HB2      ARG  76 -17.147  -3.658  -0.457
  160    HG2  ARG  76           HG3      ARG  76 -16.007  -1.500  -0.531
  161    HG3  ARG  76           HG2      ARG  76 -14.462  -2.295  -0.815
  162    HD2  ARG  76           HD3      ARG  76 -15.303  -3.204  -2.938
  163    HD3  ARG  76           HD2      ARG  76 -16.869  -2.452  -2.650
  164    HE   ARG  76           HE       ARG  76 -14.907  -0.444  -2.530
  165   HH11  ARG  76          HH21      ARG  76 -16.317  -2.676  -4.767
  166   HH12  ARG  76          HH22      ARG  76 -16.060  -1.667  -6.150
  167   HH21  ARG  76          HH11      ARG  76 -14.568   0.886  -4.340
  168   HH22  ARG  76          HH12      ARG  76 -15.069   0.350  -5.908
  169    H    CYS  77           HN       CYS  77 -15.229  -6.154   1.243
  170    HA   CYS  77           HA       CYS  77 -17.735  -7.167   2.010
  171    HB2  CYS  77           HB3      CYS  77 -15.974  -8.548   0.989
  172    HB3  CYS  77           HB2      CYS  77 -14.982  -8.357   2.450
  173    HG   CYS  77           HG       CYS  77 -17.629  -9.438   3.297
  174    H    SER  78           HN       SER  78 -14.834  -6.452   3.949
  175    HA   SER  78           HA       SER  78 -15.896  -7.257   6.435
  176    HB2  SER  78           HB3      SER  78 -14.068  -5.961   7.423
  177    HB3  SER  78           HB2      SER  78 -13.487  -6.892   6.028
  178    HG   SER  78           HG       SER  78 -13.768  -4.966   4.784
  179    H    MET  79           HN       MET  79 -16.091  -4.236   4.645
  180    HA   MET  79           HA       MET  79 -18.245  -3.330   6.394
  181    HB2  MET  79           HB3      MET  79 -16.191  -2.462   7.480
  182    HB3  MET  79           HB2      MET  79 -15.761  -1.642   5.964
  183    HG2  MET  79           HG3      MET  79 -17.850  -0.337   6.073
  184    HG3  MET  79           HG2      MET  79 -18.299  -1.159   7.566
  185    HE1  MET  79           HE1      MET  79 -15.493  -1.242   9.348
  186    HE2  MET  79           HE2      MET  79 -17.229  -1.129   9.623
  187    HE3  MET  79           HE3      MET  79 -16.160   0.110  10.269
  188    H    ASP  80           HN       ASP  80 -19.717  -2.104   5.324
  189    HA   ASP  80           HA       ASP  80 -19.337  -1.774   2.443
  190    HB2  ASP  80           HB3      ASP  80 -21.439  -2.742   3.282
  191    HB3  ASP  80           HB2      ASP  80 -21.755  -1.267   4.195
  Start of MODEL    9
    1    H1   ASP  59           HT1      ASP  59  -1.147 -10.635   6.051
    2    H2   ASP  59           HT2      ASP  59  -2.405 -11.348   5.159
    3    H3   ASP  59           HT3      ASP  59  -2.131  -9.675   5.061
    4    HA   ASP  59           HA       ASP  59   0.260 -10.959   4.395
    5    HB2  ASP  59           HB3      ASP  59  -2.240 -12.040   3.069
    6    HB3  ASP  59           HB2      ASP  59  -0.640 -12.110   2.300
    7    H    THR  60           HN       THR  60   0.912  -8.905   3.906
    8    HA   THR  60           HA       THR  60  -0.698  -7.164   2.228
    9    HB   THR  60           HB       THR  60   1.132  -5.562   2.536
   10    HG1  THR  60           HG1      THR  60   2.547  -7.053   4.299
   11   HG21  THR  60          HG21      THR  60   1.049  -5.426   5.019
   12   HG22  THR  60          HG22      THR  60   0.360  -7.049   5.063
   13   HG23  THR  60          HG23      THR  60  -0.538  -5.730   4.312
   14    H    LEU  61           HN       LEU  61   1.558  -9.644   1.766
   15    HA   LEU  61           HA       LEU  61   2.965  -8.715  -0.498
   16    HB2  LEU  61           HB3      LEU  61   3.663 -10.704   0.762
   17    HB3  LEU  61           HB2      LEU  61   2.192 -11.541   0.273
   18    HG   LEU  61           HG       LEU  61   2.884 -11.376  -2.099
   19   HD11  LEU  61          HD11      LEU  61   5.421 -10.724  -2.368
   20   HD12  LEU  61          HD12      LEU  61   5.159  -9.825  -0.873
   21   HD13  LEU  61          HD13      LEU  61   4.204  -9.451  -2.309
   22   HD21  LEU  61          HD21      LEU  61   4.750 -12.972  -1.967
   23   HD22  LEU  61          HD22      LEU  61   3.544 -13.337  -0.736
   24   HD23  LEU  61          HD23      LEU  61   5.038 -12.513  -0.289
   25    H    LEU  62           HN       LEU  62  -0.064 -10.551  -0.164
   26    HA   LEU  62           HA       LEU  62  -0.563 -10.809  -2.940
   27    HB2  LEU  62           HB3      LEU  62  -1.728 -12.173  -1.254
   28    HB3  LEU  62           HB2      LEU  62  -2.524 -10.728  -0.635
   29    HG   LEU  62           HG       LEU  62  -3.608 -10.380  -2.835
   30   HD11  LEU  62          HD11      LEU  62  -3.482 -12.536  -4.358
   31   HD12  LEU  62          HD12      LEU  62  -1.934 -12.786  -3.547
   32   HD13  LEU  62          HD13      LEU  62  -2.220 -11.312  -4.473
   33   HD21  LEU  62          HD21      LEU  62  -4.886 -11.611  -1.237
   34   HD22  LEU  62          HD22      LEU  62  -3.937 -13.073  -1.495
   35   HD23  LEU  62          HD23      LEU  62  -5.030 -12.500  -2.754
   36    H    GLY  63           HN       GLY  63  -1.556  -8.412  -0.517
   37    HA2  GLY  63           HA3      GLY  63  -3.210  -6.849  -2.168
   38    HA3  GLY  63           HA2      GLY  63  -2.319  -6.249  -0.747
   39    H    ARG  64           HN       ARG  64   0.226  -7.230  -1.917
   40    HA   ARG  64           HA       ARG  64   0.886  -4.838  -3.386
   41    HB2  ARG  64           HB3      ARG  64   2.375  -6.160  -1.704
   42    HB3  ARG  64           HB2      ARG  64   2.719  -7.211  -3.076
   43    HG2  ARG  64           HG3      ARG  64   3.393  -5.157  -4.382
   44    HG3  ARG  64           HG2      ARG  64   3.225  -4.229  -2.892
   45    HD2  ARG  64           HD3      ARG  64   5.057  -6.611  -3.277
   46    HD3  ARG  64           HD2      ARG  64   5.570  -4.927  -3.260
   47    HE   ARG  64           HE       ARG  64   4.768  -6.529  -0.955
   48   HH11  ARG  64          HH21      ARG  64   5.411  -3.405  -2.304
   49   HH12  ARG  64          HH22      ARG  64   5.700  -2.652  -0.771
   50   HH21  ARG  64          HH11      ARG  64   5.144  -5.547   1.056
   51   HH22  ARG  64          HH12      ARG  64   5.549  -3.864   1.131
   52    H    MET  65           HN       MET  65  -1.072  -6.630  -4.587
   53    HA   MET  65           HA       MET  65   0.156  -6.864  -7.228
   54    HB2  MET  65           HB3      MET  65   0.547  -9.071  -6.058
   55    HB3  MET  65           HB2      MET  65  -1.205  -9.264  -5.993
   56    HG2  MET  65           HG3      MET  65  -1.345  -9.119  -8.436
   57    HG3  MET  65           HG2      MET  65   0.408  -8.847  -8.531
   58    HE1  MET  65           HE1      MET  65  -1.036 -10.863 -10.163
   59    HE2  MET  65           HE2      MET  65  -0.233 -12.421  -9.978
   60    HE3  MET  65           HE3      MET  65   0.730 -10.964 -10.208
   61    H    LEU  66           HN       LEU  66  -2.720  -7.484  -5.227
   62    HA   LEU  66           HA       LEU  66  -4.403  -6.231  -7.328
   63    HB2  LEU  66           HB3      LEU  66  -5.113  -8.653  -5.649
   64    HB3  LEU  66           HB2      LEU  66  -6.172  -7.849  -6.803
   65    HG   LEU  66           HG       LEU  66  -3.506  -9.100  -7.526
   66   HD11  LEU  66          HD11      LEU  66  -5.028 -10.854  -6.829
   67   HD12  LEU  66          HD12      LEU  66  -4.941 -10.869  -8.591
   68   HD13  LEU  66          HD13      LEU  66  -6.337 -10.154  -7.785
   69   HD21  LEU  66          HD21      LEU  66  -4.708  -8.973  -9.859
   70   HD22  LEU  66          HD22      LEU  66  -3.977  -7.513  -9.204
   71   HD23  LEU  66          HD23      LEU  66  -5.719  -7.755  -9.084
   72    HA   PRO  67           HA       PRO  67  -4.949  -4.475  -3.027
   73    HB2  PRO  67           HB3      PRO  67  -4.100  -1.926  -3.502
   74    HB3  PRO  67           HB2      PRO  67  -2.972  -3.250  -3.083
   75    HG2  PRO  67           HG3      PRO  67  -3.648  -2.116  -5.780
   76    HG3  PRO  67           HG2      PRO  67  -2.053  -2.545  -5.098
   77    HD2  PRO  67           HD3      PRO  67  -3.415  -4.192  -6.812
   78    HD3  PRO  67           HD2      PRO  67  -2.328  -4.811  -5.551
   79    H    GLN  68           HN       GLN  68  -5.803  -3.493  -6.245
   80    HA   GLN  68           HA       GLN  68  -8.157  -1.993  -5.251
   81    HB2  GLN  68           HB3      GLN  68  -6.736  -1.967  -7.921
   82    HB3  GLN  68           HB2      GLN  68  -8.291  -1.163  -7.615
   83    HG2  GLN  68           HG3      GLN  68  -7.305   0.246  -5.924
   84    HG3  GLN  68           HG2      GLN  68  -5.787  -0.651  -5.984
   85   HE21  GLN  68          HE21      GLN  68  -6.236   2.261  -6.557
   86   HE22  GLN  68          HE22      GLN  68  -5.679   2.494  -8.160
   87    H    LEU  69           HN       LEU  69  -8.207  -4.759  -5.060
   88    HA   LEU  69           HA       LEU  69 -10.583  -5.346  -6.511
   89    HB2  LEU  69           HB3      LEU  69  -8.503  -5.708  -8.137
   90    HB3  LEU  69           HB2      LEU  69  -8.374  -7.235  -7.273
   91    HG   LEU  69           HG       LEU  69 -10.908  -6.242  -8.620
   92   HD11  LEU  69          HD11      LEU  69 -10.380  -8.085 -10.260
   93   HD12  LEU  69          HD12      LEU  69  -8.785  -8.204  -9.521
   94   HD13  LEU  69          HD13      LEU  69  -9.274  -6.714 -10.330
   95   HD21  LEU  69          HD21      LEU  69 -11.484  -8.723  -8.333
   96   HD22  LEU  69          HD22      LEU  69 -11.471  -7.757  -6.858
   97   HD23  LEU  69          HD23      LEU  69 -10.110  -8.811  -7.232
   98    H    VAL  70           HN       VAL  70  -7.839  -7.372  -5.339
   99    HA   VAL  70           HA       VAL  70  -9.589  -9.134  -3.945
  100    HB   VAL  70           HB       VAL  70  -6.619  -8.616  -3.671
  101   HG11  VAL  70          HG11      VAL  70  -7.286  -9.526  -1.569
  102   HG12  VAL  70          HG12      VAL  70  -6.720 -10.910  -2.504
  103   HG13  VAL  70          HG13      VAL  70  -8.449 -10.617  -2.323
  104   HG21  VAL  70          HG21      VAL  70  -7.492  -9.590  -5.821
  105   HG22  VAL  70          HG22      VAL  70  -8.165 -10.930  -4.890
  106   HG23  VAL  70          HG23      VAL  70  -6.418 -10.683  -4.946
  107    H    CYS  71           HN       CYS  71  -7.443  -6.533  -2.845
  108    HA   CYS  71           HA       CYS  71  -8.310  -6.602  -0.137
  109    HB2  CYS  71           HB3      CYS  71  -6.880  -4.493  -1.767
  110    HB3  CYS  71           HB2      CYS  71  -7.214  -4.331  -0.031
  111    HG   CYS  71           HG       CYS  71  -5.744  -6.924  -0.782
  112    H    ARG  72           HN       ARG  72  -9.203  -4.790  -3.020
  113    HA   ARG  72           HA       ARG  72 -10.908  -2.929  -1.827
  114    HB2  ARG  72           HB3      ARG  72 -10.119  -2.801  -4.173
  115    HB3  ARG  72           HB2      ARG  72 -11.150  -4.170  -4.570
  116    HG2  ARG  72           HG3      ARG  72 -12.322  -2.149  -5.197
  117    HG3  ARG  72           HG2      ARG  72 -13.137  -2.832  -3.795
  118    HD2  ARG  72           HD3      ARG  72 -10.967  -0.791  -3.365
  119    HD3  ARG  72           HD2      ARG  72 -12.564  -0.252  -3.871
  120    HE   ARG  72           HE       ARG  72 -12.886  -2.016  -1.704
  121   HH11  ARG  72          HH21      ARG  72 -11.559   1.085  -2.476
  122   HH12  ARG  72          HH22      ARG  72 -11.814   1.743  -0.893
  123   HH21  ARG  72          HH11      ARG  72 -13.224  -1.159   0.375
  124   HH22  ARG  72          HH12      ARG  72 -12.757   0.472   0.719
  125    H    LEU  73           HN       LEU  73 -11.614  -6.116  -3.228
  126    HA   LEU  73           HA       LEU  73 -14.385  -6.087  -2.633
  127    HB2  LEU  73           HB3      LEU  73 -13.435  -7.576  -4.326
  128    HB3  LEU  73           HB2      LEU  73 -12.513  -8.424  -3.068
  129    HG   LEU  73           HG       LEU  73 -14.621  -9.120  -1.986
  130   HD11  LEU  73          HD11      LEU  73 -16.732  -8.758  -3.523
  131   HD12  LEU  73          HD12      LEU  73 -15.816  -7.383  -4.143
  132   HD13  LEU  73          HD13      LEU  73 -16.229  -7.469  -2.431
  133   HD21  LEU  73          HD21      LEU  73 -13.710 -10.629  -3.614
  134   HD22  LEU  73          HD22      LEU  73 -14.354  -9.669  -4.945
  135   HD23  LEU  73          HD23      LEU  73 -15.450 -10.567  -3.894
  136    H    VAL  74           HN       VAL  74 -11.572  -7.451  -0.986
  137    HA   VAL  74           HA       VAL  74 -12.956  -8.667   1.148
  138    HB   VAL  74           HB       VAL  74 -10.119  -7.680   0.823
  139   HG11  VAL  74          HG11      VAL  74 -11.458  -9.108   3.144
  140   HG12  VAL  74          HG12      VAL  74 -10.477  -7.643   3.200
  141   HG13  VAL  74          HG13      VAL  74  -9.719  -9.201   2.865
  142   HG21  VAL  74          HG21      VAL  74 -11.101  -9.670  -0.500
  143   HG22  VAL  74          HG22      VAL  74 -11.175 -10.510   1.047
  144   HG23  VAL  74          HG23      VAL  74  -9.619  -9.974   0.410
  145    H    LEU  75           HN       LEU  75 -11.355  -5.468   0.956
  146    HA   LEU  75           HA       LEU  75 -11.982  -4.703   3.605
  147    HB2  LEU  75           HB3      LEU  75 -11.423  -3.076   1.116
  148    HB3  LEU  75           HB2      LEU  75 -11.659  -2.347   2.714
  149    HG   LEU  75           HG       LEU  75  -9.587  -4.491   2.133
  150   HD11  LEU  75          HD11      LEU  75  -7.939  -2.694   2.044
  151   HD12  LEU  75          HD12      LEU  75  -9.195  -1.491   2.335
  152   HD13  LEU  75          HD13      LEU  75  -9.182  -2.404   0.826
  153   HD21  LEU  75          HD21      LEU  75  -8.620  -3.262   4.285
  154   HD22  LEU  75          HD22      LEU  75  -9.857  -4.500   4.456
  155   HD23  LEU  75          HD23      LEU  75 -10.305  -2.798   4.523
  156    H    ARG  76           HN       ARG  76 -13.662  -4.268   0.530
  157    HA   ARG  76           HA       ARG  76 -15.800  -2.724   1.541
  158    HB2  ARG  76           HB3      ARG  76 -15.569  -4.536  -0.866
  159    HB3  ARG  76           HB2      ARG  76 -17.006  -3.571  -0.530
  160    HG2  ARG  76           HG3      ARG  76 -14.297  -2.246  -0.597
  161    HG3  ARG  76           HG2      ARG  76 -15.134  -2.599  -2.105
  162    HD2  ARG  76           HD3      ARG  76 -17.102  -1.328  -1.295
  163    HD3  ARG  76           HD2      ARG  76 -16.236  -0.941   0.187
  164    HE   ARG  76           HE       ARG  76 -14.648  -0.141  -1.991
  165   HH11  ARG  76          HH21      ARG  76 -17.654   0.589  -0.439
  166   HH12  ARG  76          HH22      ARG  76 -17.638   2.261  -0.890
  167   HH21  ARG  76          HH11      ARG  76 -14.621   2.051  -2.586
  168   HH22  ARG  76          HH12      ARG  76 -15.922   3.089  -2.105
  169    H    CYS  77           HN       CYS  77 -15.289  -6.189   1.199
  170    HA   CYS  77           HA       CYS  77 -17.868  -7.063   1.889
  171    HB2  CYS  77           HB3      CYS  77 -16.160  -8.533   0.898
  172    HB3  CYS  77           HB2      CYS  77 -15.198  -8.412   2.387
  173    HG   CYS  77           HG       CYS  77 -17.918  -9.351   3.160
  174    H    SER  78           HN       SER  78 -14.982  -6.536   3.908
  175    HA   SER  78           HA       SER  78 -16.135  -7.301   6.360
  176    HB2  SER  78           HB3      SER  78 -13.715  -7.039   6.072
  177    HB3  SER  78           HB2      SER  78 -13.926  -5.294   5.820
  178    HG   SER  78           HG       SER  78 -13.940  -6.780   8.134
  179    H    MET  79           HN       MET  79 -15.901  -4.135   4.766
  180    HA   MET  79           HA       MET  79 -18.244  -3.208   6.237
  181    HB2  MET  79           HB3      MET  79 -16.345  -2.650   7.733
  182    HB3  MET  79           HB2      MET  79 -15.602  -1.727   6.411
  183    HG2  MET  79           HG3      MET  79 -17.573  -0.249   6.331
  184    HG3  MET  79           HG2      MET  79 -18.333  -1.171   7.623
  185    HE1  MET  79           HE1      MET  79 -16.589  -0.389  10.769
  186    HE2  MET  79           HE2      MET  79 -15.894  -1.698   9.821
  187    HE3  MET  79           HE3      MET  79 -17.637  -1.449   9.817
  188    H    ASP  80           HN       ASP  80 -19.406  -1.734   5.095
  189    HA   ASP  80           HA       ASP  80 -18.200  -0.299   2.852
  190    HB2  ASP  80           HB3      ASP  80 -19.782  -1.148   1.216
  191    HB3  ASP  80           HB2      ASP  80 -18.878  -2.495   1.906
  Start of MODEL   10
    1    H1   ASP  59           HT1      ASP  59  -0.322 -12.071   4.422
    2    H2   ASP  59           HT2      ASP  59   0.636 -11.469   3.154
    3    H3   ASP  59           HT3      ASP  59  -1.056 -11.346   3.076
    4    HA   ASP  59           HA       ASP  59  -1.071  -9.840   4.956
    5    HB2  ASP  59           HB3      ASP  59   1.238  -8.938   5.623
    6    HB3  ASP  59           HB2      ASP  59   0.820 -10.561   6.210
    7    H    THR  60           HN       THR  60   1.913  -8.691   3.737
    8    HA   THR  60           HA       THR  60   0.561  -6.660   2.164
    9    HB   THR  60           HB       THR  60   2.796  -5.682   1.931
   10    HG1  THR  60           HG1      THR  60   3.917  -7.603   3.582
   11   HG21  THR  60          HG21      THR  60   2.117  -6.675   4.711
   12   HG22  THR  60          HG22      THR  60   1.593  -5.162   3.970
   13   HG23  THR  60          HG23      THR  60   3.292  -5.405   4.376
   14    H    LEU  61           HN       LEU  61   1.890  -9.735   1.627
   15    HA   LEU  61           HA       LEU  61   2.973  -9.430  -0.963
   16    HB2  LEU  61           HB3      LEU  61   3.354 -11.438   0.399
   17    HB3  LEU  61           HB2      LEU  61   1.643 -11.838   0.306
   18    HG   LEU  61           HG       LEU  61   1.826 -12.059  -2.153
   19   HD11  LEU  61          HD11      LEU  61   3.547 -10.633  -2.857
   20   HD12  LEU  61          HD12      LEU  61   4.325 -12.208  -2.968
   21   HD13  LEU  61          HD13      LEU  61   4.647 -11.162  -1.584
   22   HD21  LEU  61          HD21      LEU  61   2.287 -13.972  -0.542
   23   HD22  LEU  61          HD22      LEU  61   4.006 -13.662  -0.792
   24   HD23  LEU  61          HD23      LEU  61   2.992 -14.157  -2.148
   25    H    LEU  62           HN       LEU  62  -0.287 -10.258   0.178
   26    HA   LEU  62           HA       LEU  62  -1.457 -10.578  -2.380
   27    HB2  LEU  62           HB3      LEU  62  -2.521 -11.378  -0.310
   28    HB3  LEU  62           HB2      LEU  62  -2.718  -9.714   0.232
   29    HG   LEU  62           HG       LEU  62  -4.150  -9.249  -1.742
   30   HD11  LEU  62          HD11      LEU  62  -4.996 -11.467  -2.893
   31   HD12  LEU  62          HD12      LEU  62  -3.438 -12.108  -2.372
   32   HD13  LEU  62          HD13      LEU  62  -3.505 -10.712  -3.449
   33   HD21  LEU  62          HD21      LEU  62  -5.344  -9.835   0.219
   34   HD22  LEU  62          HD22      LEU  62  -4.871 -11.530   0.104
   35   HD23  LEU  62          HD23      LEU  62  -6.030 -10.860  -1.038
   36    H    GLY  63           HN       GLY  63  -1.262  -7.818  -0.156
   37    HA2  GLY  63           HA3      GLY  63  -2.703  -5.976  -1.736
   38    HA3  GLY  63           HA2      GLY  63  -1.505  -5.554  -0.492
   39    H    ARG  64           HN       ARG  64   0.425  -7.351  -1.994
   40    HA   ARG  64           HA       ARG  64   1.430  -5.272  -3.781
   41    HB2  ARG  64           HB3      ARG  64   2.615  -7.770  -2.581
   42    HB3  ARG  64           HB2      ARG  64   3.426  -6.919  -3.892
   43    HG2  ARG  64           HG3      ARG  64   2.517  -5.382  -1.463
   44    HG3  ARG  64           HG2      ARG  64   4.006  -6.320  -1.390
   45    HD2  ARG  64           HD3      ARG  64   3.425  -4.220  -3.504
   46    HD3  ARG  64           HD2      ARG  64   4.372  -3.934  -2.051
   47    HE   ARG  64           HE       ARG  64   5.506  -6.145  -3.299
   48   HH11  ARG  64          HH21      ARG  64   4.852  -2.819  -3.991
   49   HH12  ARG  64          HH22      ARG  64   6.216  -2.625  -5.041
   50   HH21  ARG  64          HH11      ARG  64   7.298  -5.899  -4.676
   51   HH22  ARG  64          HH12      ARG  64   7.600  -4.369  -5.428
   52    H    MET  65           HN       MET  65  -0.943  -6.843  -4.535
   53    HA   MET  65           HA       MET  65   0.022  -7.693  -7.165
   54    HB2  MET  65           HB3      MET  65   0.024  -9.698  -5.520
   55    HB3  MET  65           HB2      MET  65  -1.732  -9.600  -5.618
   56    HG2  MET  65           HG3      MET  65  -1.017 -11.183  -7.289
   57    HG3  MET  65           HG2      MET  65  -1.501  -9.703  -8.143
   58    HE1  MET  65           HE1      MET  65  -0.341 -10.320 -10.231
   59    HE2  MET  65           HE2      MET  65   0.235 -11.855  -9.590
   60    HE3  MET  65           HE3      MET  65   1.357 -10.774 -10.413
   61    H    LEU  66           HN       LEU  66  -2.942  -7.950  -5.159
   62    HA   LEU  66           HA       LEU  66  -4.386  -6.374  -7.223
   63    HB2  LEU  66           HB3      LEU  66  -5.405  -8.839  -5.787
   64    HB3  LEU  66           HB2      LEU  66  -6.331  -7.843  -6.908
   65    HG   LEU  66           HG       LEU  66  -3.752  -9.269  -7.634
   66   HD11  LEU  66          HD11      LEU  66  -5.270 -10.816  -8.893
   67   HD12  LEU  66          HD12      LEU  66  -6.645 -10.044  -8.105
   68   HD13  LEU  66          HD13      LEU  66  -5.460 -10.926  -7.143
   69   HD21  LEU  66          HD21      LEU  66  -4.002  -7.522  -9.190
   70   HD22  LEU  66          HD22      LEU  66  -5.763  -7.600  -9.149
   71   HD23  LEU  66          HD23      LEU  66  -4.843  -8.844  -9.991
   72    HA   PRO  67           HA       PRO  67  -5.035  -4.874  -2.842
   73    HB2  PRO  67           HB3      PRO  67  -3.916  -2.390  -3.090
   74    HB3  PRO  67           HB2      PRO  67  -2.961  -3.841  -2.672
   75    HG2  PRO  67           HG3      PRO  67  -3.300  -2.493  -5.333
   76    HG3  PRO  67           HG2      PRO  67  -1.817  -3.131  -4.567
   77    HD2  PRO  67           HD3      PRO  67  -3.200  -4.517  -6.484
   78    HD3  PRO  67           HD2      PRO  67  -2.285  -5.326  -5.191
   79    H    GLN  68           HN       GLN  68  -5.606  -3.647  -6.033
   80    HA   GLN  68           HA       GLN  68  -7.848  -1.962  -5.069
   81    HB2  GLN  68           HB3      GLN  68  -6.415  -1.943  -7.737
   82    HB3  GLN  68           HB2      GLN  68  -7.758  -0.880  -7.262
   83    HG2  GLN  68           HG3      GLN  68  -6.388  -0.010  -5.392
   84    HG3  GLN  68           HG2      GLN  68  -5.049  -1.037  -5.899
   85   HE21  GLN  68          HE21      GLN  68  -3.533   0.163  -7.037
   86   HE22  GLN  68          HE22      GLN  68  -3.904   1.428  -8.130
   87    H    LEU  69           HN       LEU  69  -8.163  -4.728  -5.072
   88    HA   LEU  69           HA       LEU  69 -10.510  -4.979  -6.661
   89    HB2  LEU  69           HB3      LEU  69  -8.413  -5.421  -8.233
   90    HB3  LEU  69           HB2      LEU  69  -8.441  -7.007  -7.470
   91    HG   LEU  69           HG       LEU  69 -10.829  -5.717  -8.833
   92   HD11  LEU  69          HD11      LEU  69 -10.411  -7.333 -10.640
   93   HD12  LEU  69          HD12      LEU  69  -8.972  -7.912  -9.799
   94   HD13  LEU  69          HD13      LEU  69  -9.022  -6.266 -10.431
   95   HD21  LEU  69          HD21      LEU  69 -10.308  -8.417  -7.570
   96   HD22  LEU  69          HD22      LEU  69 -11.609  -8.168  -8.734
   97   HD23  LEU  69          HD23      LEU  69 -11.608  -7.281  -7.210
   98    H    VAL  70           HN       VAL  70  -8.025  -7.337  -5.531
   99    HA   VAL  70           HA       VAL  70 -10.000  -9.016  -4.352
  100    HB   VAL  70           HB       VAL  70  -7.012  -8.818  -3.901
  101   HG11  VAL  70          HG11      VAL  70  -9.090 -10.749  -2.838
  102   HG12  VAL  70          HG12      VAL  70  -7.914  -9.813  -1.917
  103   HG13  VAL  70          HG13      VAL  70  -7.377 -11.159  -2.924
  104   HG21  VAL  70          HG21      VAL  70  -8.699 -10.862  -5.383
  105   HG22  VAL  70          HG22      VAL  70  -6.938 -10.785  -5.333
  106   HG23  VAL  70          HG23      VAL  70  -7.853  -9.527  -6.165
  107    H    CYS  71           HN       CYS  71  -7.685  -6.707  -2.980
  108    HA   CYS  71           HA       CYS  71  -8.655  -6.880  -0.317
  109    HB2  CYS  71           HB3      CYS  71  -7.047  -4.764  -1.751
  110    HB3  CYS  71           HB2      CYS  71  -7.424  -4.705  -0.020
  111    HG   CYS  71           HG       CYS  71  -5.973  -7.231  -1.109
  112    H    ARG  72           HN       ARG  72  -9.328  -4.827  -3.098
  113    HA   ARG  72           HA       ARG  72 -10.932  -2.933  -1.828
  114    HB2  ARG  72           HB3      ARG  72 -10.082  -2.703  -4.139
  115    HB3  ARG  72           HB2      ARG  72 -11.184  -3.979  -4.650
  116    HG2  ARG  72           HG3      ARG  72 -12.205  -1.840  -5.164
  117    HG3  ARG  72           HG2      ARG  72 -13.106  -2.572  -3.843
  118    HD2  ARG  72           HD3      ARG  72 -10.834  -0.707  -3.201
  119    HD3  ARG  72           HD2      ARG  72 -12.380  -0.037  -3.703
  120    HE   ARG  72           HE       ARG  72 -12.845  -1.942  -1.674
  121   HH11  ARG  72          HH21      ARG  72 -11.401   1.157  -2.210
  122   HH12  ARG  72          HH22      ARG  72 -11.677   1.719  -0.595
  123   HH21  ARG  72          HH11      ARG  72 -13.208  -1.211   0.447
  124   HH22  ARG  72          HH12      ARG  72 -12.700   0.379   0.908
  125    H    LEU  73           HN       LEU  73 -11.828  -5.962  -3.456
  126    HA   LEU  73           HA       LEU  73 -14.603  -5.771  -2.898
  127    HB2  LEU  73           HB3      LEU  73 -13.735  -7.201  -4.681
  128    HB3  LEU  73           HB2      LEU  73 -12.897  -8.202  -3.479
  129    HG   LEU  73           HG       LEU  73 -15.066  -8.820  -2.475
  130   HD11  LEU  73          HD11      LEU  73 -17.121  -8.192  -4.002
  131   HD12  LEU  73          HD12      LEU  73 -16.098  -6.847  -4.510
  132   HD13  LEU  73          HD13      LEU  73 -16.545  -7.026  -2.813
  133   HD21  LEU  73          HD21      LEU  73 -14.791  -9.171  -5.463
  134   HD22  LEU  73          HD22      LEU  73 -15.969 -10.056  -4.495
  135   HD23  LEU  73          HD23      LEU  73 -14.244 -10.271  -4.199
  136    H    VAL  74           HN       VAL  74 -11.933  -7.463  -1.322
  137    HA   VAL  74           HA       VAL  74 -13.442  -8.719   0.699
  138    HB   VAL  74           HB       VAL  74 -10.533  -7.944   0.489
  139   HG11  VAL  74          HG11      VAL  74 -10.926  -8.069   2.853
  140   HG12  VAL  74          HG12      VAL  74 -10.298  -9.656   2.404
  141   HG13  VAL  74          HG13      VAL  74 -12.027  -9.434   2.668
  142   HG21  VAL  74          HG21      VAL  74 -10.210 -10.236  -0.095
  143   HG22  VAL  74          HG22      VAL  74 -11.630  -9.726  -1.010
  144   HG23  VAL  74          HG23      VAL  74 -11.825 -10.683   0.456
  145    H    LEU  75           HN       LEU  75 -11.606  -5.641   0.761
  146    HA   LEU  75           HA       LEU  75 -12.177  -5.051   3.464
  147    HB2  LEU  75           HB3      LEU  75 -11.520  -3.270   1.109
  148    HB3  LEU  75           HB2      LEU  75 -11.717  -2.650   2.759
  149    HG   LEU  75           HG       LEU  75  -9.777  -4.871   2.022
  150   HD11  LEU  75          HD11      LEU  75  -8.034  -3.072   2.230
  151   HD12  LEU  75          HD12      LEU  75  -9.337  -1.882   2.277
  152   HD13  LEU  75          HD13      LEU  75  -9.095  -2.871   0.836
  153   HD21  LEU  75          HD21      LEU  75 -10.051  -5.026   4.336
  154   HD22  LEU  75          HD22      LEU  75 -10.395  -3.308   4.525
  155   HD23  LEU  75          HD23      LEU  75  -8.743  -3.852   4.250
  156    H    ARG  76           HN       ARG  76 -13.851  -4.214   0.459
  157    HA   ARG  76           HA       ARG  76 -15.880  -2.660   1.674
  158    HB2  ARG  76           HB3      ARG  76 -15.752  -4.159  -0.939
  159    HB3  ARG  76           HB2      ARG  76 -17.157  -3.205  -0.460
  160    HG2  ARG  76           HG3      ARG  76 -15.772  -1.201  -0.265
  161    HG3  ARG  76           HG2      ARG  76 -14.325  -2.131  -0.639
  162    HD2  ARG  76           HD3      ARG  76 -15.235  -2.677  -2.859
  163    HD3  ARG  76           HD2      ARG  76 -16.706  -1.784  -2.484
  164    HE   ARG  76           HE       ARG  76 -14.520  -0.053  -2.124
  165   HH11  ARG  76          HH21      ARG  76 -16.162  -1.817  -4.608
  166   HH12  ARG  76          HH22      ARG  76 -15.771  -0.685  -5.860
  167   HH21  ARG  76          HH11      ARG  76 -14.005   1.436  -3.760
  168   HH22  ARG  76          HH12      ARG  76 -14.551   1.157  -5.380
  169    H    CYS  77           HN       CYS  77 -15.590  -6.094   0.938
  170    HA   CYS  77           HA       CYS  77 -18.216  -6.875   1.568
  171    HB2  CYS  77           HB3      CYS  77 -16.620  -8.331   0.392
  172    HB3  CYS  77           HB2      CYS  77 -15.637  -8.441   1.869
  173    HG   CYS  77           HG       CYS  77 -18.410  -9.279   2.573
  174    H    SER  78           HN       SER  78 -15.285  -6.756   3.587
  175    HA   SER  78           HA       SER  78 -16.455  -7.733   5.954
  176    HB2  SER  78           HB3      SER  78 -14.028  -7.571   5.657
  177    HB3  SER  78           HB2      SER  78 -14.143  -5.801   5.611
  178    HG   SER  78           HG       SER  78 -13.837  -6.071   7.698
  179    H    MET  79           HN       MET  79 -16.062  -4.412   4.745
  180    HA   MET  79           HA       MET  79 -18.345  -3.552   6.335
  181    HB2  MET  79           HB3      MET  79 -17.138  -1.739   7.457
  182    HB3  MET  79           HB2      MET  79 -16.455  -3.315   7.909
  183    HG2  MET  79           HG3      MET  79 -14.701  -2.996   6.149
  184    HG3  MET  79           HG2      MET  79 -15.343  -1.385   5.843
  185    HE1  MET  79           HE1      MET  79 -14.736  -3.279   9.492
  186    HE2  MET  79           HE2      MET  79 -13.005  -2.973   9.398
  187    HE3  MET  79           HE3      MET  79 -13.806  -3.854   8.103
  188    H    ASP  80           HN       ASP  80 -19.008  -1.342   5.804
  189    HA   ASP  80           HA       ASP  80 -17.838  -0.142   3.408
  190    HB2  ASP  80           HB3      ASP  80 -19.914  -0.184   2.145
  191    HB3  ASP  80           HB2      ASP  80 -19.443  -1.834   2.547