*HEADER    LIPID BINDING PROTEIN                   06-DEC-12   2M1T              
*TITLE     SP-B C-TERMINAL (RESIDUES 59-80) PEPTIDE IN DPC MICELLES              
*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;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SFTPB, SFTP3;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET31B                                    
*KEYWDS    PEPTIDE FRAGMENT, DETERGENT, MICELLES, LIPID BINDING PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    6                                                                     
*AUTHOR    A.KUZNETSOVA, J.VANNI, J.LONG                                         
*REVDAT   1   18-DEC-13 2M1T    0                                                


!intra
 assign  (resid   60 and name   HA)   (resid   60 and name   HN)  2.9 0.9 0.9 !T60HA-HN  39162248 intra
 assign  (resid   64 and name  HD#)   (resid   64 and name   HE)  2.9 0.9 0.9 !R64HD#-HE  38880420 intra
 assign  (resid   60 and name   HB)   (resid   60 and name   HN)  2.9 0.9 0.9 !T60HB-HN  32847968 intra
 assign  (resid   72 and name  HD#)   (resid   72 and name   HE)  2.9 0.9 0.9 !R72HD#-HE  29925278 intra
 assign  (resid   76 and name  HD#)   (resid   76 and name   HE)  2.9 0.9 0.9 !R76HD#-HE  28554530 intra
 assign  (resid   62 and name  HB#)   (resid   62 and name   HN)  2.9 0.9 0.9 !L62HB1#-HN  25636730 intra
 assign  (resid   80 and name   HA)   (resid   80 and name   HN)  2.9 0.9 0.9 !D80HA-HN  24637874 intra
 assign  (resid   62 and name  HB#)   (resid   62 and name   HN)  2.9 0.9 0.9 !L62HB2#-HN  24562544 intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HN)  2.9 0.9 0.9 !R64HB1#-HN  24561960 intra
 assign  (resid   74 and name HG2#)   (resid   74 and name   HN)  2.9 0.9 0.9 !V74HG2#-HN  23528624 intra
 assign  (resid   66 and name HD1#)   (resid   66 and name   HN)  2.9 0.9 0.9 !L66HD1#-HN  22703306 intra
 assign  (resid   61 and name   HG)   (resid   61 and name   HN)  2.9 0.9 0.9 !L61HG-HN  22315220 intra
 assign  (resid   65 and name   HB)   (resid   65 and name   HN)  2.9 0.9 0.9 !I65HB-HN  20616126 intra
 assign  (resid   65 and name HG2#)   (resid   65 and name   HN)  2.9 0.9 0.9 !I65HG2#-HN  20478684 intra
 assign  (resid   69 and name HD1#)   (resid   69 and name   HN)  2.9 0.9 0.9 !L69HD1#-HN  19799218 intra
 assign  (resid   78 and name   HA)   (resid   78 and name   HN)  2.9 0.9 0.9 !S78HA-HN  19674376 intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HN)  2.9 0.9 0.9 !R72HB#-HN  19224676 intra
 assign  (resid   66 and name HD2#)   (resid   66 and name   HN)  2.9 0.9 0.9 !L66HD2#-HN  18739412 intra
 assign  (resid   79 and name   HB)   (resid   79 and name   HN)  2.9 0.9 0.9 !I79HB-HN  18168446 intra
 assign  (resid   66 and name  HB#)   (resid   66 and name   HN)  2.9 0.9 0.9 !L66HB1#-HN  17884756 intra
 assign  (resid   65 and name HD1#)   (resid   65 and name   HN)  2.9 0.9 0.9 !I65HD1#-HN  17385896 intra
 assign  (resid   63 and name  HA#)   (resid   63 and name   HN)  2.9 0.9 0.9 !G63HA1#-HN  16486772 intra
 assign  (resid   80 and name  HB#)   (resid   80 and name   HN)  2.9 0.9 0.9 !D80HB2#-HN  16442535 intra
 assign  (resid   63 and name  HA#)   (resid   63 and name   HN)  2.9 0.9 0.9 !G63HA2#-HN  16070704 intra
 assign  (resid   77 and name   HA)   (resid   77 and name   HN)  2.9 0.9 0.9 !C77HA-HN  15921812 intra
 assign  (resid   69 and name  HB#)   (resid   69 and name   HN)  2.9 0.9 0.9 !L69HB1#-HN  15864451 intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HE)  2.9 0.9 0.9 !R64HB1#-HE  15839359 intra
 assign  (resid   78 and name  HB#)   (resid   78 and name   HN)  2.9 0.9 0.9 !S78HB#-HN  15691154 intra
 assign  (resid   72 and name  HG#)   (resid   72 and name   HN)  2.9 0.9 0.9 !R72HG#-HN  15520407 intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HN)  2.9 0.9 0.9 !C77HB2#-HN  15292276 intra
 assign  (resid   61 and name  HB#)   (resid   61 and name   HN)  2.9 0.9 0.9 !L61HB2#-HN  15252789 intra
 assign  (resid   76 and name   HA)   (resid   76 and name   HN)  2.9 0.9 0.9 !R76HA-HN  15172871 intra
 assign  (resid   62 and name HD1#)   (resid   62 and name   HN)  3.25 1.25 1.25 !L62HD1#-HN  14322249 intra
 assign  (resid   70 and name HG2#)   (resid   70 and name   HN)  3.25 1.25 1.25 !V70HG2#-HN  14274229 intra
 assign  (resid   60 and name HG2#)   (resid   60 and name   HN)  3.25 1.25 1.25 !T60HG2#-HN  13819165 intra
 assign  (resid   79 and name   HA)   (resid   79 and name   HN)  3.25 1.25 1.25 !I79HA-HN  13590045 intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HN)  3.25 1.25 1.25 !C71HB2#-HN  13447509 intra
 assign  (resid   69 and name   HA)   (resid   69 and name   HN)  3.25 1.25 1.25 !L69HA-HN  13434590 intra
 assign  (resid   61 and name HD2#)   (resid   61 and name   HN)  3.25 1.25 1.25 !L61HD2#-HN  13332892 intra
 assign  (resid   72 and name  HD#)   (resid   72 and name   HN)  3.25 1.25 1.25 !R72HD#-HN  13260558 intra
 assign  (resid   72 and name  HG#)   (resid   72 and name   HE)  3.25 1.25 1.25 !R72HG#-HE  13069314 intra
 assign  (resid   66 and name  HB#)   (resid   66 and name   HN)  3.25 1.25 1.25 !L66HB2#-HN  12971898 intra
 assign  (resid   61 and name HD2#)   (resid   61 and name   HN)  3.25 1.25 1.25 !L61HD1#-HN  12733698 intra
 assign  (resid   64 and name   HA)   (resid   64 and name   HN)  3.25 1.25 1.25 !R64HA-HN  12660272 intra
 assign  (resid   62 and name HD2#)   (resid   62 and name   HN)  3.25 1.25 1.25 !L62HD2#-HN  12529107 intra
 assign  (resid   72 and name   HA)   (resid   72 and name   HN)  3.25 1.25 1.25 !R72HA-HN  12067815 intra
 assign  (resid   79 and name HD1#)   (resid   79 and name   HN)  3.25 1.25 1.25 !I79HD1#-HN  12024546 intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HE)  3.25 1.25 1.25 !R64HG#-HE  11723670 intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HN)  3.25 1.25 1.25 !R64HB2#-HN  11594160 intra
 assign  (resid   69 and name HD2#)   (resid   69 and name   HN)  3.25 1.25 1.25 !L69HD2#-HN  11516266 intra
 assign  (resid   64 and name  HB#)   (resid   64 and name   HE)  3.25 1.25 1.25 !R64HB2#-HE  11504248 intra
 assign  (resid   69 and name  HB#)   (resid   69 and name   HN)  3.25 1.25 1.25 !L69HB2#-HN  11182886 intra
 assign  (resid   79 and name HG2#)   (resid   79 and name   HN)  3.25 1.25 1.25 !I79HG2#-HN  11161163 intra
 assign  (resid   66 and name   HG)   (resid   66 and name   HN)  3.25 1.25 1.25 !L66HG-HN  11068642 intra
 assign  (resid   65 and name   HA)   (resid   65 and name   HN)  3.25 1.25 1.25 !I65HA-HN  10574115 intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HN)  3.25 1.25 1.25 !R76HG1#-HN  10487512 intra
 assign  (resid   61 and name   HA)   (resid   61 and name   HN)  3.25 1.25 1.25 !L61HA-HN  10153152 intra
 assign  (resid   64 and name  HG#)   (resid   64 and name   HN)  3.25 1.25 1.25 !R64HG#-HN  10091657 intra
 assign  (resid   68 and name HE22)   (resid   68 and name HE21)  3.25 1.25 1.25 !Q68HE22#-HE21  10009185 intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HE)  3.25 1.25 1.25 !R76HG1#-HE  9894847 intra
 assign  (resid   62 and name   HG)   (resid   62 and name   HN)  3.25 1.25 1.25 !L62HG-HN  9864055 intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HN)  3.25 1.25 1.25 !R76HB2#-HN  9772729 intra
 assign  (resid   62 and name   HA)   (resid   62 and name   HN)  3.25 1.25 1.25 !L62HA-HN  9733263 intra
 assign  (resid   74 and name   HA)   (resid   74 and name   HN)  3.25 1.25 1.25 !V74HA-HN  9605120 intra
 assign  (resid   61 and name  HB#)   (resid   61 and name   HN)  3.25 1.25 1.25 !L61HB1#-HN  9579217 intra
 assign  (resid   70 and name HG1#)   (resid   70 and name   HN)  3.25 1.25 1.25 !V70HG1#-HN  9500358 intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HN)  3.25 1.25 1.25 !R76HG2#-HN  8986218 intra
 assign  (resid   79 and name HG1#)   (resid   79 and name   HN)  3.25 1.25 1.25 !I79HG12#-HN  8977883 intra
 assign  (resid   69 and name   HG)   (resid   69 and name   HN)  3.25 1.25 1.25 !L69HG-HN  8890600 intra
 assign  (resid   80 and name  HB#)   (resid   80 and name   HN)  3.25 1.25 1.25 !D80HB1#-HN  8833922 intra
 assign  (resid   72 and name  HB#)   (resid   72 and name   HE)  3.25 1.25 1.25 !R72HB#-HE  8756850 intra
 assign  (resid   77 and name  HB#)   (resid   77 and name   HN)  3.25 1.25 1.25 !C77HB1#-HN  8562720 intra
 assign  (resid   66 and name   HA)   (resid   66 and name   HN)  3.25 1.25 1.25 !L66HA-HN  7958664 intra
 assign  (resid   79 and name HG1#)   (resid   79 and name   HN)  3.25 1.25 1.25 !I79HG11#-HN  7503600 intra
 assign  (resid   76 and name  HG#)   (resid   76 and name   HE)  3.25 1.25 1.25 !R76HG2#-HE  7325244 intra
 assign  (resid   65 and name HG1#)   (resid   65 and name   HN)  3.25 1.25 1.25 !I65HG11#-HN  6507802 intra
 assign  (resid   70 and name   HB)   (resid   70 and name   HN)  3.25 1.25 1.25 !V70HB-HN  6432470 intra
 assign  (resid   74 and name   HB)   (resid   74 and name   HN)  3.25 1.25 1.25 !V74HB-HN  5917947 intra
!assign  (resid   64 and name   HA)   (resid   64 and name   HE)  3.25 1.25 1.25 !R64HA-HE  5899512 intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HN)  3.25 1.25 1.25 !R76HB1#-HN  5779470 intra
 assign  (resid   65 and name HG1#)   (resid   65 and name   HN)  3.25 1.25 1.25 !I65HG12#-HN  5369554 intra
 assign  (resid   71 and name   HA)   (resid   71 and name   HN)  3.25 1.25 1.25 !C71HA-HN  5072076 intra
!assign  (resid   64 and name  HD#)   (resid   64 and name   HN)  3.25 1.25 1.25 !R64HD#-HN  4981852 intra
 assign  (resid   70 and name   HA)   (resid   70 and name   HN)  3.25 1.25 1.25 !V70HA-HN  4608930 intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HE)  3.25 1.25 1.25 !R76HB1#-HE  4423926 intra
 assign  (resid   76 and name  HB#)   (resid   76 and name   HE)  3.5 1.5 1.5 !R76HB2#-HE  4258614 intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HN)  3.5 1.5 1.5 !Q68HB1#-HN  4174363 intra
 assign  (resid   68 and name   HA)   (resid   68 and name   HN)  3.5 1.5 1.5 !Q68HA-HN  4062519 intra
 assign  (resid   72 and name   HA)   (resid   72 and name   HE)  3.5 1.5 1.5 !R72HA-HE  3990450 intra
 assign  (resid   71 and name  HB#)   (resid   71 and name   HN)  3.5 1.5 1.5 !C71HB1#-HN  3632616 intra
 assign  (resid   76 and name   HA)   (resid   76 and name   HE)  3.5 1.5 1.5 !R76HA-HE  3422397 intra
 assign  (resid   76 and name  HD#)   (resid   76 and name   HN)  3.5 1.5 1.5 !R76HD#-HN  3308686 intra
 assign  (resid   68 and name  HB#)   (resid   68 and name   HN)  3.5 1.5 1.5 !Q68HB2#-HN  3273458 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name HE21)  3.5 1.5 1.5 !Q68HG2#-HE21  3257813 intra
!assign  (resid   64 and name   HN)   (resid   64 and name   HE)  3.5 1.5 1.5 !R64HN-HE  3188523 intra
 assign  (resid   72 and name   HN)   (resid   72 and name   HE)  3.5 1.5 1.5 !R72HN-HE  3160344 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name   HN)  3.5 1.5 1.5 !Q68HG2#-HN  3105369 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name HE22)  3.5 1.5 1.5 !Q68HG2#-HE22  2590044 intra
 assign  (resid   74 and name HG1#)   (resid   74 and name   HN)  3.5 1.5 1.5 !V74HG1#-HN  2506618 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name HE21)  3.5 1.5 1.5 !Q68HG1#-HE21  2313216 intra
 assign  (resid   68 and name HE2#)   (resid   68 and name   HN)  3.5 1.5 1.5 !Q68HE22#-HN  2272055 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name   HN)  4 2 2  !Q68HG1#-HN  2216352 intra
 assign  (resid   72 and name   HE)   (resid   72 and name   HN)  4 2 2  !R72HE-HN  2069329 intra
 assign  (resid   68 and name  HG#)   (resid   68 and name HE22)  4 2 2  !Q68HG1#-HE22  1888885 intra
 assign  (resid   76 and name   HN)   (resid   76 and name   HE)  4 2 2  !R76HN-HE  1521249 intra
 assign  (resid   68 and name  HB#)   (resid   68 and name HE21)  4 2 2  !Q68HB1#-HE21  1428781 intra
!assign  (resid   64 and name   HE)   (resid   64 and name   HN)  4 2 2  !R64HE-HN  1238912 intra
 assign  (resid   68 and name   HN)   (resid   68 and name HE22)  4 2 2  !Q68HN-HE22  1128519 intra
 assign  (resid   68 and name   HA)   (resid   68 and name HE21)  4 2 2  !Q68HA-HE21  1095540 intra
 assign  (resid   68 and name   HN)   (resid   68 and name HE21)  4 2 2  !Q68HN-HE21  1028025 intra
 assign  (resid   68 and name  HB#)   (resid   68 and name HE22)  4 2 2  !Q68HB1#-HE22  907576 intra
 assign  (resid   68 and name   HA)   (resid   68 and name HE22)  4 2 2  !Q68HA-HE22  793095 intra

!sequential

 assign  (resid   79 and name   HA)   (resid   80 and name   HN)  2.9 0.9 0.9 !I79HA-D80HN  37559124 sqntl
 assign  (resid   60 and name   HA)   (resid   61 and name   HN)  2.9 0.9 0.9 !T60HA-L61HN  37272636 sqntl
 assign  (resid   78 and name   HA)   (resid   79 and name   HN)  2.9 0.9 0.9 !S78HA-I79HN  35764020 sqntl
 assign  (resid   76 and name   HA)   (resid   77 and name   HN)  2.9 0.9 0.9 !R76HA-C77HN  22530592 sqntl
 assign  (resid   77 and name   HA)   (resid   78 and name   HN)  2.9 0.9 0.9 !C77HA-S78HN  21307182 sqntl
 assign  (resid   65 and name   HB)   (resid   66 and name   HN)  2.9 0.9 0.9 !I65HB-L66HN  15848657 sqntl
 assign  (resid   75 and name   HA)   (resid   76 and name   HN)  2.9 0.9 0.9 !L75HA-R76HN  15172871 sqntl
 assign  (resid   65 and name   HN)   (resid   64 and name   HN)  3.25 1.25 1.25 !I65HN-R64HN       14117474 sqntl
 assign  (resid   59 and name  HB#)   (resid   60 and name   HN)  3.25 1.25 1.25 !D59HB#-T60HN  13822531 sqntl
 assign  (resid   63 and name   HN)   (resid   64 and name   HN)  3.25 1.25 1.25 !G63HN-R64HN        13785580 sqntl
 assign  (resid   70 and name HG2#)   (resid   71 and name   HN)  3.25 1.25 1.25 !V70HG2#-C71HN  12786745 sqntl
 assign  (resid   70 and name HG2#)   (resid   69 and name   HN)  3.25 1.25 1.25 !V70HG2#-L69HN  12622652 sqntl
 assign  (resid   62 and name   HA)   (resid   63 and name   HN)  3.25 1.25 1.25 !L62HA-G63HN  12003040 sqntl
 assign  (resid   78 and name  HB#)   (resid   79 and name   HN)  3.25 1.25 1.25 !S78HB#-I79HN  11882809 sqntl
 assign  (resid   77 and name  HB#)   (resid   78 and name   HN)  3.25 1.25 1.25 !C77HB2#-S78HN  11476484 sqntl
 assign  (resid   72 and name   HN)   (resid   73 and name   HN)  3.25 1.25 1.25 !R72HN-L73HN  11446627 sqntl
 assign  (resid   80 and name   HN)   (resid   79 and name   HN)  3.25 1.25 1.25 !D80HN-I79HN  11386790 sqntl
 assign  (resid   79 and name   HB)   (resid   80 and name   HN)  3.25 1.25 1.25 !I79HB-D80HN  11376169 sqntl
 assign  (resid   66 and name   HG)   (resid   65 and name   HN)  3.25 1.25 1.25 !L66HG-I65HN  11121568 sqntl
!assign  (resid   64 and name  HG#)   (resid   65 and name   HN)  3.25 1.25 1.25 !R64HG#-I65HN  11121568 sqntl
 assign  (resid   71 and name  HB#)   (resid   72 and name   HN)  3.25 1.25 1.25 !C71HB2#-R72HN  11068885 sqntl
 assign  (resid   62 and name  HB#)   (resid   63 and name   HN)  3.25 1.25 1.25 !L62HB2#-G63HN  10373879 sqntl
 assign  (resid   77 and name  HB#)   (resid   78 and name   HN)  3.25 1.25 1.25 !C77HB1#-S78HN  10116743 sqntl
 assign  (resid   78 and name   HN)   (resid   79 and name   HN)  3.25 1.25 1.25 !S78HN-I79HN  9963872 sqntl
 assign  (resid   60 and name HG2#)   (resid   61 and name   HN)  3.25 1.25 1.25 !T60HG2#-L61HN  9904931 sqntl
 assign  (resid   68 and name  HB#)   (resid   69 and name   HN)  3.25 1.25 1.25 !Q68HB1#-L69HN  9423997 sqntl
 assign  (resid   79 and name HG2#)   (resid   80 and name   HN)  3.25 1.25 1.25 !I79HG2#-D80HN  9176647 sqntl
 assign  (resid   63 and name  HA#)   (resid   64 and name   HN)  3.25 1.25 1.25 !G63HA2#-R64HN  8843750 sqntl
 assign  (resid   74 and name   HA)   (resid   75 and name   HN)  3.25 1.25 1.25 !V74HA-L75HN  8808919 sqntl
 assign  (resid   72 and name   HA)   (resid   73 and name   HN)  3.25 1.25 1.25 !R72HA-L73HN  8808919 sqntl
 assign  (resid   63 and name  HA#)   (resid   64 and name   HN)  3.25 1.25 1.25 !G63HA1#-R64HN  8391874 sqntl
 assign  (resid   63 and name  HA#)   (resid   62 and name   HN)  3.25 1.25 1.25 !G63HA1#-L62HN  7697995 sqntl
 assign  (resid   70 and name HG1#)   (resid   71 and name   HN)  3.25 1.25 1.25 !V70HG1#-C71HN  7663264 sqntl
 assign  (resid   65 and name   HN)   (resid   66 and name   HN)  3.25 1.25 1.25 !I65HN-L66HN  7052958 sqntl
 assign  (resid   73 and name   HA)   (resid   74 and name   HN)  3.25 1.25 1.25 !L73HA-V74HN  6956774 sqntl
 assign  (resid   76 and name  HG#)   (resid   77 and name   HN)  3.25 1.25 1.25 !R76HG1#-C77HN  6823952 sqntl
 assign  (resid   70 and name   HB)   (resid   71 and name   HN)  3.25 1.25 1.25 !V70HB-C71HN  6784706 sqntl
 assign  (resid   62 and name HD1#)   (resid   63 and name   HN)  3.25 1.25 1.25 !L62HD1#-G63HN  6734718 sqntl
 assign  (resid   67 and name  HD#)   (resid   66 and name   HN)  3.25 1.25 1.25 !P67HD1#-L66HN  6678649 sqntl
 assign  (resid   76 and name  HB#)   (resid   77 and name   HN)  3.25 1.25 1.25 !R76HB2#-C77HN  6440262 sqntl
 assign  (resid   62 and name   HN)   (resid   63 and name   HN)  3.25 1.25 1.25 !L62HN-G63HN  6328355 sqntl
 assign  (resid   68 and name  HG#)   (resid   69 and name   HN)  3.25 1.25 1.25 !Q68HG2#-L69HN  6298275 sqntl
 assign  (resid   62 and name   HG)   (resid   63 and name   HN)  3.25 1.25 1.25 !L62HG-G63HN  5975251 sqntl
 assign  (resid   70 and name   HN)   (resid   71 and name   HN)  3.25 1.25 1.25 !V70HN-C71HN  5961720 sqntl
 assign  (resid   65 and name   HA)   (resid   64 and name   HN)  3.25 1.25 1.25 !I65HA-R64HN  5955000 sqntl
 assign  (resid   65 and name   HA)   (resid   66 and name   HN)  3.25 1.25 1.25 !I65HA-L66HN  5918458 sqntl
 assign  (resid   67 and name HD#)   (resid   66 and name   HN)  3.25 1.25 1.25  !P67HD2#-L66HN  5916358 sqntl
 assign  (resid   61 and name   HN)   (resid   62 and name   HN)  3.25 1.25 1.25 !L61HN-L62HN  5884803 sqntl
 assign  (resid   72 and name   HN)   (resid   71 and name   HN)  3.25 1.25 1.25 !R72HN-C71HN  5814055 sqntl
 assign  (resid   64 and name   HA)   (resid   65 and name   HN)  3.25 1.25 1.25 !R64HA-I65HN  5783779 sqntl
 assign  (resid   76 and name   HN)   (resid   77 and name   HN)  3.25 1.25 1.25 !R76HN-C77HN  5712840 sqntl
 assign  (resid   60 and name   HN)   (resid   61 and name   HN)  3.25 1.25 1.25 !T60HN-L61HN  5622900 sqntl
 assign  (resid   70 and name   HN)   (resid   69 and name   HN)  3.25 1.25 1.25 !V70HN-L69HN  5498279 sqntl
 assign  (resid   70 and name HG1#)   (resid   69 and name   HN)  3.25 1.25 1.25 !V70HG1#-L69HN  5484882 sqntl
 assign  (resid   69 and name HD2#)   (resid   70 and name   HN)  3.25 1.25 1.25 !L69HD2#-V70HN  5088020 sqntl
 assign  (resid   61 and name   HA)   (resid   62 and name   HN)  3.25 1.25 1.25 !L61HA-L62HN  5074376 sqntl
 assign  (resid   76 and name  HB#)   (resid   77 and name   HN)  3.25 1.25 1.25 !R76HB1#-C77HN  5025197 sqntl
 assign  (resid   72 and name  HB#)   (resid   71 and name   HN)  3.25 1.25 1.25 !R72HB#-C71HN  5001866 sqntl
 assign  (resid   79 and name HG1#)   (resid   80 and name   HN)  3.25 1.25 1.25 !I79HG11#-D80HN  4560218 sqntl
 assign  (resid   69 and name   HA)   (resid   70 and name   HN)  3.25 1.25 1.25 !L69HA-V70HN  4444908 sqntl
 assign  (resid   68 and name   HN)   (resid   69 and name   HN)  3.25 1.25 1.25 !Q68HN-L69HN  4354503 sqntl
 assign  (resid   69 and name   HG)   (resid   70 and name   HN)  3.25 1.25 1.25 !L69HG-V70HN  4327702 sqntl
 assign  (resid   65 and name HG1#)   (resid   64 and name   HN)  3.5 1.5 1.5 !I65HG11#-R64HN  4134659 sqntl
 assign  (resid   59 and name   HA)   (resid   60 and name   HN)  3.5 1.5 1.5 !D59HA-T60HN  3877023 sqntl
 assign  (resid   63 and name  HA#)   (resid   62 and name   HN)  3.5 1.5 1.5 !G63HA2#-L62HN  3827526 sqntl
 assign  (resid   76 and name  HG#)   (resid   77 and name   HN)  3.5 1.5 1.5 !R76HG2#-C77HN  3773076 sqntl
 assign  (resid   65 and name HG1#)   (resid   64 and name   HN)  3.5 1.5 1.5 !I65HG12#-R64HN  3676654 sqntl
 assign  (resid   70 and name   HA)   (resid   71 and name   HN)  3.5 1.5 1.5 !V70HA-C71HN  3577328 sqntl
 assign  (resid   71 and name   HA)   (resid   72 and name   HN)  3.5 1.5 1.5 !C71HA-R72HN  3302425 sqntl
 assign  (resid   70 and name   HA)   (resid   69 and name   HN)  3.5 1.5 1.5 !V70HA-L69HN  3128922 sqntl
 assign  (resid   65 and name HG1#)   (resid   66 and name   HN)  3.5 1.5 1.5 !I65HG11#-L66HN  3040753 sqntl
 assign  (resid   62 and name   HG)   (resid   61 and name   HN)  3.5 1.5 1.5 !L62HG-L61HN  3032373 sqntl
 assign  (resid   79 and name HG2#)   (resid   78 and name   HN)  3.5 1.5 1.5 !I79HG2#-S78HN  2987009 sqntl
 assign  (resid   79 and name HG1#)   (resid   80 and name   HN)  3.5 1.5 1.5 !I79HG12#-D80HN  2956890 sqntl
 assign  (resid   71 and name  HB#)   (resid   72 and name   HN)  3.5 1.5 1.5 !C71HB1#-R72HN  2765618 sqntl
 assign  (resid   65 and name HG1#)   (resid   66 and name   HN)  3.5 1.5 1.5 !I65HG12#-L66HN  2327860 sqntl
 assign  (resid   72 and name   HA)   (resid   71 and name   HN)  3.5 1.5 1.5 !R72HA-C71HN  2315008 sqntl
 assign  (resid   66 and name   HA)   (resid   65 and name   HN)  4 2 2  !L66HA-I65HN  2212347 sqntl
 assign  (resid   80 and name   HA)   (resid   79 and name   HN)  4 2 2  !D80HA-I79HN  2110248 sqntl
 assign  (resid   65 and name   HN)   (resid   64 and name   HE)  4 2 2  !I65HN-R64HE  1972132 sqntl
 assign  (resid   69 and name HD2#)   (resid   68 and name   HN)  4 2 2  !L69HD2#-Q68HN  1737088 sqntl
 assign  (resid   64 and name   HA)   (resid   63 and name   HN)  4 2 2  !R64HA-G63HN  1712677 sqntl
 assign  (resid   64 and name  HD#)   (resid   65 and name   HN)  4 2 2  !R64HD#-I65HN  1555660 sqntl
 assign  (resid   61 and name  HB#)   (resid   60 and name   HN)  4 2 2  !L61HB1#-T60HN  1530971 sqntl
 assign  (resid   67 and name HD#)   (resid   68 and name   HN)  4 2 2  !P67HD2#-Q68HN  1427165 sqntl
 assign  (resid   77 and name   HN)   (resid   76 and name   HE)  4 2 2  !C77HN-R76HE  1350362 sqntl
 assign  (resid   67 and name  HD#)   (resid   68 and name   HN)  4 2 2  !P67HD1#-Q68HN  1337883 sqntl
 assign  (resid   59 and name   HB#)   (resid   60 and name   HG2#)  4 2 2 !D59HB-T60HG2  1093696 sqntl 2D spectrum
 assign  (resid   78 and name  HB#)   (resid   77 and name   HN)  4 2 2  !S78HB#-C77HN  1018630 sqntl

!medium range

 assign  (resid   78 and name   HN)   (resid   80 and name   HN)  3.25 1.25 1.25 !S78HN-D80HN  9359186 medrange
 assign  (resid   60 and name   HA)   (resid   62 and name   HN)  3.25 1.25 1.25 !T60HA-L62HN  8688765 medrange
 assign  (resid   72 and name   HA)   (resid   76 and name   HN)  3.25 1.25 1.25 !R72HA-R76HN  8519239 medrange
 assign  (resid   61 and name   HA)   (resid   65 and name   HN)  3.25 1.25 1.25 !L61HA-I65HN  8082752 medrange
 assign  (resid   65 and name HD1#)   (resid   61 and name   HN)  3.25 1.25 1.25 !I65HD1#-L61HN  7543874 medrange
 assign  (resid   61 and name   HA)   (resid   64 and name   HN)  3.25 1.25 1.25 !L61HA-R64HN  7244244 medrange
 assign  (resid   61 and name   HA)   (resid   64 and name   HB#)  3.25 1.25 1.25 !L61HA-R64HB1  6936812 medrange 2D spectrum
 assign  (resid   78 and name   HA)   (resid   80 and name   HN)  3.25 1.25 1.25 !S78HA-D80HN  6770236 medrange
!assign  (resid   70 and name   HA)   (resid   66 and name   HN)  3.25 1.25 1.25 !V70HA-L66HN  6517469 medrange
 assign  (resid   68 and name   HA)   (resid   72 and name   HN)  3.25 1.25 1.25 !Q68HA-R72HN  6441036 medrange
 assign  (resid   70 and name   HA)   (resid   73 and name   HB#)  3.25 1.25 1.25 !V70HA-L73HB1  6273677 medrange 2D spectrum
 assign  (resid   80 and name   HN)   (resid   77 and name   HN)  3.25 1.25 1.25 !D80HN-C77HN  6266146 medrange
 assign  (resid   77 and name   HA)   (resid   79 and name   HN)  3.25 1.25 1.25 !C77HA-I79HN  6110194 medrange
 assign  (resid   69 and name   HA)   (resid   72 and name   HN)  3.25 1.25 1.25 !L69HA-R72HN  5944312 medrange
 assign  (resid   65 and name   HN)   (resid   62 and name   HN)  3.25 1.25 1.25 !I65HN-L62HN     5663001 medrange
 assign  (resid   76 and name   HA)   (resid   80 and name   HN)  3.25 1.25 1.25 !R76HA-D80HN  5385774 medrange
 assign  (resid   68 and name  HG#)   (resid   71 and name   HN)  3.25 1.25 1.25 !Q68HG1#-C71HN  5314451 medrange
 assign  (resid   62 and name   HA)   (resid   65 and name   HB)  3.25 1.25 1.25 !L62HA-I65HB  5209806 medrange 2D spectrum
 assign  (resid   76 and name  HB#)   (resid   74 and name   HN)  3.25 1.25 1.25 !R76HB2#-V74HN  5138780 medrange
 assign  (resid   74 and name   HN)   (resid   76 and name   HN)  3.25 1.25 1.25 !V74HN-R76HN     5090964 medrange
 assign  (resid   62 and name   HA)   (resid   66 and name   HN)  3.25 1.25 1.25 !L62HA-L66HN  4850505 medrange
 assign  (resid   66 and name  HB#)   (resid   68 and name   HN)  3.25 1.25 1.25 !L66HB1#-Q68HN  4561550 medrange
 assign  (resid   60 and name   HA)   (resid   63 and name   HN)  3.25 1.25 1.25 !T60HA-G63HN  4541910 medrange
 assign  (resid   68 and name  HB#)   (resid   66 and name   HN)  3.25 1.25 1.25 !Q68HB1#-L66HN  4492400 medrange
 assign  (resid   65 and name   HA)   (resid   68 and name   HN)  3.25 1.25 1.25 !I65HA-Q68HN  4477979 medrange
 assign  (resid   66 and name   HA)   (resid   69 and name   HN)  3.25 1.25 1.25 !L66HA-L69HN  4349054 medrange
!assign  (resid   61 and name   HA)   (resid   64 and name   HE)  3.25 1.25 1.25 !L61HA-R64HE  4272237 medrange
 assign  (resid   60 and name   HA)   (resid   64 and name   HN)  3.25 1.25 1.25 !T60HA-R64HN  4217228 medrange
 assign  (resid   68 and name  HB#)   (resid   70 and name   HN)  3.5 1.5 1.5 !Q68HB1#-V70HN  4086512 medrange
 assign  (resid   68 and name  HB#)   (resid   71 and name   HN)  3.5 1.5 1.5 !Q68HB1#-C71HN  4074956 medrange
 assign  (resid   66 and name   HA)   (resid   69 and name   HB#)  3.5 1.5 1.5 !L66HA-L69HB1  4025460 medrange 2D spectrum
 assign  (resid   66 and name   HN)   (resid   69 and name   HN)  3.5 1.5 1.5 !L66HN-L69HN  4012784 medrange
 assign  (resid   74 and name   HB)   (resid   76 and name   HN)  3.5 1.5 1.5 !V74HB-R76HN  3882605 medrange
 assign  (resid   66 and name   HG)   (resid   63 and name   HN)  3.5 1.5 1.5 !L66HG-G63HN  3843580 medrange
 assign  (resid   77 and name  HB#)   (resid   79 and name   HN)  3.5 1.5 1.5 !C77HB2#-I79HN  3795185 medrange
 assign  (resid   74 and name   HN)   (resid   71 and name   HN)  3.5 1.5 1.5 !V74HN-C71HN  3767979 medrange
 assign  (resid   72 and name   HN)   (resid   76 and name   HN)  3.5 1.5 1.5 !R72HN-R76HN  3752978 medrange
 assign  (resid   76 and name   HN)   (resid   80 and name   HN)  3.5 1.5 1.5 !R76HN-D80HN  3712649 medrange
 assign  (resid   61 and name   HA)   (resid   63 and name   HN)  3.5 1.5 1.5 !L61HA-G63HN  3597083 medrange
 assign  (resid   78 and name  HB#)   (resid   80 and name   HN)  3.5 1.5 1.5 !S78HB#-D80HN  3553420 medrange
 assign  (resid   64 and name  HB#)   (resid   60 and name   HN)  3.5 1.5 1.5 !R64HB2#-T60HN  3465124 medrange
 assign  (resid   65 and name HG1#)   (resid   62 and name   HN)  3.5 1.5 1.5 !I65HG11#-L62HN  3403595 medrange
 assign  (resid   60 and name HG2#)   (resid   64 and name   HN)  3.5 1.5 1.5 !T60HG2#-R64HN  3366174 medrange
 assign  (resid   60 and name HG2#)   (resid   62 and name   HN)  3.5 1.5 1.5 !T60HG2#-L62HN  3345646 medrange
 assign  (resid   77 and name  HB#)   (resid   80 and name   HN)  3.5 1.5 1.5 !C77HB2#-D80HN  3331712 medrange
 assign  (resid   63 and name  HA#)   (resid   65 and name   HN)  3.5 1.5 1.5 !G63HA1#-I65HN  3178770 medrange
 assign  (resid   70 and name   HN)   (resid   72 and name   HN)  3.5 1.5 1.5 !V70HN-R72HN      3094599 medrange
 assign  (resid   74 and name   HA)   (resid   77 and name   HB#)  3.5 1.5 1.5 !V74HA-C77HB2  2927077 medrange 2D spectrum
 assign  (resid   68 and name   HA)   (resid   72 and name   HE)  3.5 1.5 1.5 !Q68HA-R72HE  2765924 medrange
 assign  (resid   69 and name   HA)   (resid   72 and name   HE)  3.5 1.5 1.5 !L69HA-R72HE  2726506 medrange
 assign  (resid   63 and name  HA#)   (resid   61 and name   HN)  3.5 1.5 1.5 !G63HA1#-L61HN  2689920 medrange
 assign  (resid   76 and name   HN)   (resid   78 and name   HN)  3.5 1.5 1.5 !R76HN-S78HN  2667322 medrange
 assign  (resid   70 and name   HA)   (resid   74 and name   HN)  3.5 1.5 1.5 !V70HA-V74HN  2570935 medrange
 assign  (resid   77 and name  HB#)   (resid   79 and name   HN)  3.5 1.5 1.5 !C77HB1#-I79HN  2521523 medrange
 assign  (resid   67 and name  HD#)   (resid   69 and name   HN)  3.5 1.5 1.5 !P67HD2#-L69HN  2477306 medrange
 assign  (resid   67 and name  HD#)   (resid   69 and name   HN)  3.5 1.5 1.5 !P67HD1#-L69HN  2469846 medrange
 assign  (resid   67 and name  HD#)   (resid   66 and name   HG)  3.5 1.5 1.5 !P67HD1-L66HG  2450486 medrange 2D spectrum
 assign  (resid   68 and name  HB#)   (resid   64 and name   HN)  3.5 1.5 1.5 !Q68HB1#-R64HN  2427470 medrange
 assign  (resid   65 and name HG1#)   (resid   63 and name   HN)  3.5 1.5 1.5 !I65HG11#-G63HN  2383724 medrange
 assign  (resid   68 and name  HB#)   (resid   65 and name   HN)  3.5 1.5 1.5 !Q68HB1#-I65HN  2373676 medrange
 assign  (resid   70 and name   HA)   (resid   74 and name   HB)  3.5 1.5 1.5 !V70HA-V74HB  2340742 medrange 2D spectrum
 assign  (resid   69 and name   HA)   (resid   73 and name   HN)  3.5 1.5 1.5 !L69HA-L73HN  2295956 medrange
 assign  (resid   65 and name   HN)   (resid   61 and name   HN)  3.5 1.5 1.5 !I65HN-L61HN      2276028 medrange
 assign  (resid   64 and name   HE)   (resid   68 and name HE2#)  3.5 1.5 1.5 !R64HE-Q68HE21#    2271293 medrange
 assign  (resid   66 and name   HN)   (resid   64 and name   HN)  3.5 1.5 1.5 !L66HN-R64HN      2250238 medrange
 assign  (resid   62 and name   HN)   (resid   64 and name   HN)  3.5 1.5 1.5 !L62HN-R64HN      2235569 medrange
 assign  (resid   67 and name  HD#)   (resid   64 and name   HN)  4 2 2  !P67HD2#-R64HN  2224556 medrange
 assign  (resid   60 and name HG2#)   (resid   63 and name   HN)  4 2 2  !T60HG2#-G63HN  2214103 medrange
 assign  (resid   63 and name   HN)   (resid   60 and name   HN)  4 2 2  !G63HN-T60HN     2205673 medrange
 assign  (resid   76 and name   HN)   (resid   79 and name   HN)  4 2 2  !R76HN-I79HN  2186277 medrange
 assign  (resid   80 and name   HA)   (resid   76 and name   HN)  4 2 2  !D80HA-R76HN  2168282 medrange
 assign  (resid   66 and name   HA)   (resid   70 and name   HN)  4 2 2.5 !L66HA-V70HN  2146343 medrange
 assign  (resid   63 and name  HA#)   (resid   66 and name   HN)  4 2 2  !G63HA1#-L66HN  2142933 medrange
 assign  (resid   67 and name  HD#)   (resid   64 and name   HN)  4 2 2  !P67HD1#-R64HN  2109265 medrange
 assign  (resid   63 and name  HA#)   (resid   65 and name   HN)  4 2 2  !G63HA2#-I65HN  2017329 medrange
 assign  (resid   62 and name   HN)   (resid   60 and name   HN)  4 2 2  !L62HN-T60HN  1991562 medrange
 assign  (resid   71 and name  HB#)   (resid   74 and name   HN)  4 2 2  !C71HB2#-V74HN  1954541 medrange
 assign  (resid   80 and name   HA)   (resid   77 and name   HN)  4 2 2  !D80HA-C77HN  1925554 medrange
 assign  (resid   64 and name   HA)   (resid   62 and name   HN)  4 2 2  !R64HA-L62HN  1869828 medrange
 assign  (resid   70 and name   HB)   (resid   73 and name   HN)  4 2 2  !V70HB-L73HN  1858998 medrange
 assign  (resid   67 and name  HD#)   (resid   65 and name   HN)  4 2 2  !P67HD1#-I65HN  1850927 medrange
 assign  (resid   64 and name   HE)   (resid   68 and name HE2#)  4 2 2  !R64HE-Q68HE22#  1824913 medrange
 assign  (resid   61 and name   HN)   (resid   63 and name   HN)  4 2 2  !L61HN-G63HN  1769453 medrange
 assign  (resid   70 and name   HA)   (resid   73 and name   HN)  4 2 2  !V70HA-L73HN  1767726 medrange
 assign  (resid   67 and name  HD#)   (resid   65 and name   HN)  4 2 2  !P67HD2#-I65HN  1764678 medrange
 assign  (resid   64 and name  HG#)   (resid   60 and name   HN)  4 2 2  !R64HG#-T60HN  1719850 medrange
 assign  (resid   68 and name  HB#)   (resid   72 and name   HN)  4 2 2  !Q68HB1#-R72HN  1547316 medrange
 assign  (resid   64 and name   HN)   (resid   60 and name   HN)  4 2 2  !R64HN-T60HN  1546647 medrange
 assign  (resid   62 and name   HN)   (resid   66 and name   HN)  4 2 2  !L62HN-L66HN  1522244 medrange
 assign  (resid   64 and name  HB#)   (resid   60 and name   HN)  4 2 2  !R64HB1#-T60HN  1444328 medrange
 assign  (resid   65 and name   HA)   (resid   68 and name HE2#)  4 2 2  !I65HA-Q68HE21#  1428195 medrange
 assign  (resid   70 and name   HA)   (resid   72 and name   HN)  4 2 2  !V70HA-R72HN  1424627 medrange
 assign  (resid   60 and name HG2#)   (resid   64 and name   HE)  4 2 2  !T60HG2#-R64HE  1415926 medrange
 assign  (resid   63 and name  HA#)   (resid   61 and name   HN)  4 2 2  !G63HA2#-L61HN  1415050 medrange
 assign  (resid   68 and name  HB#)   (resid   72 and name   HE)  4 2 2  !Q68HB1#-R72HE  1364360 medrange
 assign  (resid   74 and name   HB)   (resid   70 and name   HN)  4 2 2  !V74HB-V70HN  1333379 medrange
 assign  (resid   74 and name   HB)   (resid   72 and name   HN)  4 2 2  !V74HB-R72HN  1317537 medrange
 assign  (resid   64 and name   HN)   (resid   61 and name   HN)  4 2 2  !R64HN-L61HN  1294279 medrange
 assign  (resid   63 and name  HA#)   (resid   60 and name   HN)  4 2 2  !G63HA1#-T60HN  1284905 medrange
 assign  (resid   59 and name  HB#)   (resid   62 and name   HN)  4 2 2  !D59HB#-L62HN  1278664 medrange
 assign  (resid   72 and name   HN)   (resid   69 and name   HN)  4 2 2  !R72HN-L69HN  1268708 medrange
 assign  (resid   74 and name   HB)   (resid   71 and name   HN)  4 2 2  !V74HB-C71HN  1247864 medrange
 assign  (resid   71 and name  HB#)   (resid   74 and name   HN)  4 2 2  !C71HB1#-V74HN  1230926 medrange
 assign  (resid   71 and name   HA)   (resid   74 and name   HN)  4 2 2  !C71HA-V74HN  1229934 medrange
 assign  (resid   74 and name   HB)   (resid   78 and name   HN)  4 2 2  !V74HB-S78HN  1174134 medrange
 assign  (resid   68 and name   HA)   (resid   71 and name   HB#) 4 2 2  !Q68HA-C71HB2  1172191 medrange 2D spectrum
 assign  (resid   68 and name  HG#)   (resid   72 and name   HE)  4 2 2  !Q68HG1#-R72HE  1143633 medrange
 assign  (resid   63 and name  HA#)   (resid   66 and name   HB#)  4 2 2 !G63HA1-L66HB1  1124538 medrange 2D spectrum
 assign  (resid   59 and name  HB#)   (resid   64 and name   HG#)  4 2 2 !D59HB-R64HG  1113444 medrange 2D spectrum
 assign  (resid   68 and name  HG#)   (resid   71 and name   HN)  4 2 2  !Q68HG2#-C71HN  1085808 medrange
 assign  (resid   73 and name   HN)   (resid   69 and name   HN)  4 2 2  !L73HN-L69HN  1062030 medrange
 assign  (resid   65 and name  HG1#)   (resid   62 and name   HA)  4 2 2 !I65HG1-L62HA  1060708 medrange 2D spectrum
 assign  (resid   59 and name  HB#)   (resid   64 and name   HB#)  4 2 2 !D59HB-R64HB1  1034992 medrange 2D spectrum
 assign  (resid   68 and name  HG#)   (resid   72 and name   HE)  4 2 2  !Q68HG2#-R72HE  1018521 medrange
 assign  (resid   72 and name   HN)   (resid   76 and name   HE)  4 2 2  !R72HN-R76HE  1008147 medrange
 assign  (resid   63 and name  HA#)   (resid   60 and name   HN)  4 2 2  !G63HA2#-T60HN  1001670 medrange
 assign  (resid   72 and name   HA)   (resid   68 and name HE2#)  4 2 2  !R72HA-Q68HE22#  989218 medrange
 assign  (resid   68 and name  HG#)   (resid   64 and name   HE)  4 2 2  !Q68HG1#-R64HE  953784 medrange
 assign  (resid   73 and name   HN)   (resid   70 and name   HN)  4 2 2  !L73HN-V70HN  941414 medrange
 assign  (resid   65 and name   HA)   (resid   68 and name HE2#)  4 2 2  !I65HA-Q68HE22#  937724 medrange
 assign  (resid   63 and name  HA#)   (resid   66 and name   HN)  4 2 2  !G63HA2#-L66HN  937362 medrange
 assign  (resid   74 and name   HN)   (resid   77 and name   HN)  4 2 2  !V74HN-C77HN  933492 medrange
 assign  (resid   63 and name  HA#)   (resid   60 and name  HG2#)  4 2 2 !G63HA1-T60HG2  920595 medrange 2D spectrum
 assign  (resid   63 and name  HA#)   (resid   60 and name  HG2#)  4 2 2 !G63HA2-T60HG2  906764 medrange 2D spectrum
 assign  (resid   68 and name   HN)   (resid   66 and name   HN)  4 2 2  !Q68HN-L66HN  899081 medrange
 assign  (resid   68 and name   HN)   (resid   71 and name   HN)  4 2 2  !Q68HN-C71HN  896364 medrange
 assign  (resid   62 and name   HG)   (resid   60 and name   HN)  4 2 2  !L62HG-T60HN  887643 medrange
 assign  (resid   74 and name   HN)   (resid   70 and name   HN)  4 2 2  !V74HN-V70HN  882419 medrange
 assign  (resid   68 and name   HN)   (resid   70 and name   HN)  4 2 2  !Q68HN-V70HN  833128 medrange
 assign  (resid   68 and name  HG#)   (resid   71 and name   HN)  4 2 2  !Q68HG1#-C71HN  827177 medrange
 assign  (resid   80 and name  HB#)   (resid   77 and name   HN)  4 2 2  !D80HB2#-C77HN  821795 medrange
 assign  (resid   59 and name  HB#)   (resid   63 and name   HN)  4 2 2  !D59HB#-G63HN  818920 medrange
 assign  (resid   68 and name   HN)   (resid   65 and name   HN)  4 2 2  !Q68HN-I65HN  776484 medrange
 assign  (resid   68 and name  HB#)   (resid   64 and name   HE)  4 2 2  !Q68HB1#-R64HE  739456 medrange
 assign  (resid   68 and name  HG#)   (resid   64 and name   HN)  4 2 2  !Q68HG1#-R64HN  711958 medrange
 assign  (resid   68 and name  HG#)   (resid   64 and name   HN)  4 2 2  !Q68HG2#-R64HN  681350 medrange
 assign  (resid   80 and name  HB#)   (resid   77 and name   HN)  4 2 2  !D80HB1#-C77HN  662217 medrange
 assign  (resid   68 and name  HG#)   (resid   65 and name   HN)  4 2 2  !Q68HG2#-I65HN  645887 medrange
 assign  (resid   68 and name  HG#)   (resid   64 and name   HE)  4 2 2  !Q68HG2#-R64HE  626031 medrange
 assign  (resid   68 and name  HG#)   (resid   72 and name   HN)  4 2 2  !Q68HG2#-R72HN  575996 medrange
 assign  (resid   59 and name  HB#)   (resid   61 and name   HN)  4 2 2  !D59HB#-L61HN  508940 medrange
 assign  (resid   72 and name   HE)   (resid   68 and name HE2#)  4 2 2  !R72HE-Q68HE22#  452189 medrange
 assign  (resid   68 and name  HG#)   (resid   65 and name   HN)  4 2 2  !Q68HG1#-I65HN  445623 medrange
 assign  (resid   68 and name  HG#)   (resid   72 and name   HN)  4 2 2  !Q68HG2#-R72HN  381175 medrange

!long range

 assign  (resid   68 and name   HA)   (resid   64 and name   HN)  3.25 1.25 1.25 !Q68HA-R64HN  5916798 longrange added
 assign  (resid   68 and name   HA)   (resid   63 and name   HN)  3.25 1.25 1.25 !Q68HA-G63HN  4934530 longrange added
 assign  (resid   64 and name   HA)   (resid   72 and name   HE)  3.25 1.25 1.25 !R64HA-R72HE  3727552 longrange
 assign  (resid   59 and name   HA)   (resid   64 and name   HE)  3.5 1.5 1.5  !D59HA-R64HE  3224467 longrange
 assign  (resid   72 and name   HE)   (resid   64 and name   HE)  3.5 1.5 1.5  !R72HE-R64HE  3014631 longrange
!assign  (resid   70 and name   HA)   (resid   64 and name   HN)  4 2 2   !V70HA-R64HN  2626134 longrange
 assign  (resid   59 and name  HB#)   (resid   64 and name   HE)  4 2 2   !D59HB#-R64HE  1785854 longrange
!assign  (resid   70 and name   HA)   (resid   65 and name   HN)  4 2 2   !V70HA-I65HN  1766696 longrange
!assign  (resid   70 and name   HA)   (resid   63 and name   HN)  4 2 2   !V70HA-G63HN  1640041 longrange
!assign  (resid   65 and name   HA)   (resid   74 and name   HN)  4 2 2   !I65HA-V74HN  1430942 longrange
!assign  (resid   59 and name   HA)   (resid   76 and name   HE)  4 2 2   !D59HA-R76HE  1394872 longrange
 assign  (resid   67 and name  HD#)   (resid   62 and name   HN)  4 2 2   !P67HD2#-L62HN  1242557 longrange
 assign  (resid   64 and name   HN)   (resid   69 and name   HN)  4 2 2   !R64HN-L69HN  1149954 longrange
 assign  (resid   70 and name   HA)   (resid   76 and name   HN)  4 2 2   !V70HA-R76HN  1126673 longrange
 assign  (resid   59 and name   HA)   (resid   64 and name   HN)  4 2 2   !D59HA-R64HN  1096080 longrange
 assign  (resid   65 and name   HN)   (resid   72 and name   HE)  4 2 2   !I65HN-R72HE  1007684 longrange
 assign  (resid   67 and name  HD#)   (resid   62 and name   HN)  4 2 2   !P67HD1#-L62HN  845765 longrange
 assign  (resid   68 and name   HN)   (resid   62 and name   HN)  4 2 2   !Q68HN-L62HN  844819 longrange
 assign  (resid   68 and name  HB#)   (resid   63 and name   HN)  4 2 2   !Q68HB1#-G63HN  669810 longrange
 assign  (resid   59 and name  HB#)   (resid   64 and name   HN)  4 2 2   !D59HB#-R64HN  439047 longrange

!ambiguous noes

assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   72 and name   HN)  2.9 0.9 0.9  !L73/L75HN-R72HN         15357071 sqntl
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   65 and name   HN)  3.25 1.25 1.25 !G63/L69/C71HN-I65HN    14188192 medrange
assign ((resid  76 and name  HB#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   69 and name  HB#))   (resid   72 and name   HN)  3.25 1.25 1.25 !L69/L73/L75/R76HB1#-R72HN 14048974 medrange
assign ((resid  75 and name  HB#) OR 
        (resid   73 and name  HB#))   (resid   73 and name   HN)  3.25 1.25 1.25 !L73/L75HB1#-HN     13706812 intra
assign ((resid  75 and name  HB#) OR 
        (resid   73 and name  HB#))   (resid   73 and name   HN)  3.25 1.25 1.25 !L73/L75HB2#-HN     13337007 intra
assign ((resid  62 and name  HB#) OR 
        (resid   64 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   72 and name  HG#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#))   (resid   63 and name   HN)  3.25 1.25 1.25 !L62/R64/L69/R72/L73/L75HB1#/HB2/HB2/HG/HB2-G63HN 11683854 sqntl
assign ((resid  68 and name  HB#) OR 
        (resid   70 and name   HB))   (resid   69 and name   HN)  3.25 1.25 1.25 !V70/Q68HB/HB2-L69HN   10985356 sqntl
assign ((resid  66 and name  HD2#) OR 
        (resid   65 and name  HG2#) OR 
        (resid   61 and name  HD2#))   (resid   64 and name   HN)  3.25 1.25 1.25 !L61/I65/L66HD2#/HG2/HD2-R64HN  10460602 medrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   74 and name   HN)  3.25 1.25 1.25 !L73/L75HN-V74HN   9496052 sqntl
assign  (resid   72 and name  HB#)   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.25 1.25 1.25 !R72HB#-L73/L75HN    9449652 sqntl
assign ((resid  75 and name   HA) OR 
        (resid   73 and name   HA))   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.25 1.25 1.25 !L73/L75HA-HN    9122879 intra
assign ((resid  69 and name  HD1#) OR 
        (resid   66 and name  HD2#) OR 
        (resid   62 and name  HD1#))   (resid   64 and name   HN)  3.25 1.25 1.25 !L62/L66/L69HD1#/HD2/HD1-R64HN 8976237 medrange
assign ((resid  61 and name  HD2#) OR 
        (resid   65 and name  HG2#) OR 
        (resid   66 and name  HD1#))   (resid   63 and name   HN)  3.25 1.25 1.25 !L61/I65/L66HD2#/HG2/HD1-G63HN 8644079 medrange
assign  (resid   74 and name   HN)   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.25 1.25 1.25 !V74HN-L73/L75HN  8380757 sqntl
assign ((resid  64 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   72 and name  HG#) OR 
        (resid   73 and name  HB#) OR 
        (resid   75 and name  HB#))   (resid   76 and name   HN)  3.25 1.25 1.25 !R64/L69/R72/L73/L75HB2#/HB2/HG/HB2/HB2-R76HN 8301621 longrange
assign ((resid  75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   61 and name  HB#))   (resid   62 and name   HN)  3.25 1.25 1.25 !L61/L69/L73/L75HB1#-L62HN 8225168 sqntl
assign ((resid  62 and name  HB#) OR 
        (resid   64 and name  HB#) OR 
        (resid   69 and name   HG) OR 
        (resid   72 and name  HG#) OR 
        (resid   73 and name  HB#) OR 
        (resid   75 and name  HB#))   (resid   66 and name   HN)  3.25 1.25 1.25 !L62/R64/L69/R72/L73/L75HB/HB2/HB2/HG/HB2/HB2-L66HN 8017143 medrange
assign ((resid  62 and name  HD1#) OR 
        (resid   61 and name  HD2#))   (resid   64 and name   HN)  3.25 1.25 1.25 !L61/L62HD1#-R64HN  7707276 medrange
assign ((resid  76 and name  HB#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   69 and name  HB#))   (resid   71 and name   HN)  3.25 1.25 1.25 !L69/L73/L75/R76HB1#-C71HN  7435222 medrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   72 and name   HN)  3.25 1.25 1.25 !G63/L69/C71HN-R72HN  7322626 longrange
!assign ((resid  61 and name  HB#) OR 
        (resid   66 and name  HB#))   (resid   74 and name   HN)  3.25 1.25 1.25 !L66/L61HB2#-V74HN  7257910 longrange
assign ((resid  62 and name  HD2#) OR 
        (resid   66 and name  HD2#) OR 
        (resid   69 and name  HD1#))   (resid   63 and name   HN)  3.25 1.25 1.25 !L62/L66/L69HD2#/HD2/HD1-G63HN 7222865 sqntl
assign ((resid  75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   69 and name  HB#))   (resid   70 and name   HN)  3.25 1.25 1.25 !L69/L73/L75HB1#-V70HN   7155633 sqntl
assign ((resid  76 and name  HB#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   61 and name  HB#))   (resid   74 and name   HN)  3.25 1.25 1.25 !L61/L73/L75/R76HB1#-V74HN  6726996 longrange
assign ((resid  75 and name   HG) OR 
        (resid   73 and name   HG))   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.25 1.25 1.25 !L73/L75HG2-HN      6654252 intra
assign ((resid  62 and name  HB#) OR 
        (resid   64 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   72 and name  HG#) OR 
        (resid   73 and name  HB#) OR 
        (resid   75 and name  HB#))   (resid   65 and name   HN)  3.25 1.25 1.25 !L62/R64/L69/R72/L73/L75HB1#/HB2/HB2/HG/HB2-I65HN 6577905 medrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   76 and name   HN)  3.25 1.25 1.25 !L73/L75HN-R76HN  6526019 medrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN))   (resid   70 and name   HN)  3.25 1.25 1.25 !L69/C71HN-V70HN  6483838 sqntl
assign ((resid  69 and name   HA) OR 
        (resid   68 and name   HA) OR 
        (resid   65 and name   HA))   (resid   71 and name   HN)  3.25 1.25 1.25 !I65/Q68/L69HA-C71HN  6353038 longrange
assign ((resid  76 and name  HG#) OR 
        (resid   75 and name   HG) OR 
        (resid   73 and name   HG))   (resid   74 and name   HN)  3.25 1.25 1.25 !L73/L75/R76HG2#-V74HN  6268050 sqntl
assign ((resid  62 and name  HB#) OR 
        (resid   64 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   72 and name  HG#) OR 
        (resid   73 and name  HB#) OR 
        (resid   75 and name  HB#))   (resid   71 and name   HN)  3.25 1.25 1.25 !L62/R64/L69/R72/L73/L75HB/HB2/HB2/HG/HB2/HB2-C71HN  6047146 longrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   66 and name   HN)  3.25 1.25 1.25 !G63/L69/C71HN-L66HN  5950004 medrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   71 and name   HN)  3.25 1.25 1.25 !L73/L75HN-C71HN  5859330 medrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   77 and name   HN)  3.25 1.25 1.25 !L73/L75HN-C77HN  5539219 medrange
!assign ((resid  71 and name   HA) OR 
        (resid   59 and name   HA))   (resid   68 and name  HE2#)  3.25 1.25 1.25 !D59/C71HA-Q68HE21#  5485675 longrange
assign ((resid  64 and name  HB#) OR 
        (resid   72 and name  HB#))   (resid   63 and name   HN)  3.25 1.25 1.25 !R64/R72HB1/HB-G63HN  5114642 sqntl
assign ((resid  76 and name  HG#) OR 
        (resid   75 and name   HG) OR 
        (resid   73 and name   HG))   (resid   74 and name   HN)  3.25 1.25 1.25 !L73/L75/R76HG1#-V74HN   4846520 sqntl
assign ((resid  64 and name  HG#) OR 
        (resid   69 and name   HG) OR 
        (resid   73 and name   HG) OR 
        (resid   75 and name   HG) OR 
        (resid   76 and name  HG#))   (resid   72 and name   HN)  3.25 1.25 1.25 !R64/L69/L73/L75/R76HG/HG/HG1/HG1/HG1-R72HN 4723610 longrange
assign ((resid  76 and name  HB#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#) OR 
        (resid   69 and name  HB#) OR 
        (resid   61 and name  HB#))   (resid   68 and name   HN)  3.25 1.25 1.25 !L61/L69/L73/L75/R76HB1#-Q68HN 4669908 longrange
assign ((resid  69 and name  HD2#) OR 
        (resid   65 and name  HD1#))   (resid   64 and name   HN)  3.25 1.25 1.25 !I65/L69HD1#/HD2-R64HN    4617556 sqntl
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   72 and name   HN)  3.5 1.5 1.5 !V70/Q68HB/HB2-R72HN    3882130 medrange
!assign ((resid  71 and name   HA) OR 
        (resid   59 and name   HA))   (resid   68 and name  HE2#)  3.5 1.5 1.5 !D59/C71HA-Q68HE22#     3845677 longrange
!assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.5 1.5 1.5 !R64/R72HD#-L73/L75HN    3743836 longrange
assign ((resid  75 and name   HA) OR 
        (resid   73 and name   HA))   (resid   71 and name   HN)  3.5 1.5 1.5 !L73/L75HA-C71HN    3681336 medrange
assign ((resid  64 and name  HB#) OR 
        (resid   65 and name   HB) OR 
        (resid   72 and name  HB#))   (resid   74 and name   HN)  3.5 1.5 1.5 !R64/I65/R72HB1/HB/HB-V74HN  3499702 longrange
assign ((resid  61 and name  HB#) OR 
        (resid   66 and name  HB#))   (resid   68 and name   HN)  3.5 1.5 1.5 !L66/L61HB2#-Q68HN    3460171 medrange
assign ((resid  69 and name  HD2#) OR 
        (resid   65 and name  HD1#))   (resid   63 and name   HN)  3.5 1.5 1.5 !I65/L69HD1#/HD2-G63HN    3379350 medrange
assign ((resid  61 and name  HD2#) OR 
        (resid   66 and name  HD1#) OR 
        (resid   65 and name  HG2#))   (resid   68 and name   HN)  3.5 1.5 1.5 !L61/L66/I65HD2/HD1/HG2-Q68HN 3252543 longrange
assign ((resid  76 and name  HG#) OR 
        (resid   75 and name   HG) OR 
        (resid   73 and name   HG))   (resid   72 and name   HN)  3.5 1.5 1.5 !L73/L75/R76HG2#-R72HN     3171284 sqntl
assign ((resid  66 and name  HD2#) OR 
        (resid   69 and name  HD1#))   (resid   68 and name   HN)  3.5 1.5 1.5 !L66/L69HD2#/HD1-Q68HN     3069992 medrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   61 and name   HN)  3.5 1.5 1.5 !G63/L69/C71HN-L61HN     3069460 medrange
assign  (resid   71 and name   HB#)   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.5 1.5 1.5 !C71HB2#-L73/L75HN     3033526 medrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 3.5 1.5 1.5 !G63/L69/C71HN-L73/L75HN   2712444longrange
assign ((resid  64 and name  HB#) OR 
        (resid   65 and name   HB) OR 
        (resid   72 and name  HB#))   (resid   62 and name   HN)  3.5 1.5 1.5 !R64/I65/R72HB1/HB/HB-L62HN  2627165 medrange
!assign ((resid  75 and name   HA) OR 
        (resid   73 and name   HA))   (resid   69 and name   HN)  3.5 1.5 1.5 !L73/L75HA-L69HN     2612374 medrange
assign ((resid  76 and name  HG#) OR 
        (resid   75 and name   HG) OR 
        (resid   73 and name   HG))   (resid   69 and name   HN)  3.5 1.5 1.5 !L73/L75/R76HG2#-L69HN     2516811 medrange
!assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   (resid   68 and name   HN)  3.5 1.5 1.5 !R64/R72HD#-Q68HN     2333735 medrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   72 and name   HE)  3.5 1.5 1.5 !L73/L75HN-R72HE     2321047 sqntl
assign ((resid  61 and name  HD2#) OR 
        (resid   65 and name  HG2#) OR 
        (resid   66 and name  HD1#))   (resid   60 and name   HN)  4 2 2 !L61/I65/L66HD2#/HG2/HD1-T60HN 2261204 sqntl
assign  (resid   74 and name   HB)   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 4 2 2  !V74HB-L73/L75HN    2207878 sqntl
!assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   (resid   70 and name   HN)  4 2 2  !R64/R72HD#-V70HN  2203165 longrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   72 and name   HE)  4 2 2  !V70/Q68HB/HB2-R72HE  2151978 medrange
assign ((resid  71 and name   HA) OR 
        (resid   59 and name   HA))   (resid   76 and name   HN)  4 2 2  !D59/C71HA-R76HN  2146760 longrange
assign ((resid  69 and name   HG) OR 
        (resid   64 and name  HG#) OR 
        (resid   61 and name   HG))   (resid   68 and name   HN)  4 2 2  !L61/R64/L69HG-Q68HN  2026874 longrange
assign ((resid  66 and name  HD2#) OR 
        (resid   62 and name  HD2#))   (resid   60 and name   HN)  4 2 2 !L62/L66HD2#-T60HN  1946526 medrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   68 and name   HN)  4 2 2  !G63/L69/C71HN-Q68HN  1938196 longrange
assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   (resid   74 and name   HN)  4 2 2  !R64/R72HD#-V74HN  1852062 longrange
!assign ((resid  75 and name   HA) OR 
        (resid   73 and name   HA))   (resid   66 and name   HN)  4 2 2  !L73/L75HA-L66HN  1738805 longrange
assign ((resid  62 and name  HD2#) OR 
        (resid   66 and name  HD2#) OR 
        (resid   69 and name  HD1#))   (resid   68 and name  HE2#)  4 2 2 !L62/L66/L69HD2#/HD2/HD1-Q68HE21# 1735398 longrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   76 and name   HE)  4 2 2  !L73/L75HN-R76HE  1629663 medrange
assign ((resid  71 and name   HA) OR 
        (resid   59 and name   HA))   (resid   72 and name   HE)  4 2 2  !D59/C71HA-R72HE  1611683 longrange
assign ((resid  64 and name  HG#) OR
  (resid   69 and name   HG) OR
  (resid   73 and name   HG) OR
  (resid   75 and name   HG) OR
  (resid   76 and name  HG#))   (resid   79 and name   HN)  4 2 2 !R64/L69/L73/L75/R76HG#-I79HN 1608001 longrange
assign ((resid  76 and name  HB#) OR 
        (resid   75 and name  HB#) OR 
        (resid   73 and name  HB#))   (resid   78 and name   HN)  4 2 2  !L73/L75/R76HB1#-S78HN  1566306 longrange
assign ((resid  71 and name   HA) OR 
        (resid   59 and name   HA))   ((resid   75 and name   HN)  OR 
                                      (resid   73 and name   HN)) 4 2 2  !D59/C71HA-L73/L75HN  1475507 longrange
assign ((resid  75 and name   HN) OR 
        (resid   73 and name   HN))   (resid   78 and name   HN)  4 2 2  !L73/L75HN-S78HN  1327212 longrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   66 and name   HN)  4 2 2  !V70/Q68HB/HB2-L66HN  1281231 medrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   65 and name   HN)  4 2 2  !V70/Q68HB/HB2-I65HN  1277608 longrange
assign ((resid  64 and name  HG#) OR
  (resid   61 and name   HG) OR
  (resid   69 and name   HG) OR
  (resid   76 and name  HG#))   (resid   80 and name   HN)  4 2 2 !R64/L61/L69/R76HG#-D80HN 1275689 longrange
assign ((resid  71 and name   HN) OR 
        (resid   63 and name   HN))   (resid   74 and name   HN)  4 2 2  !G63/C71HN-V74HN  1262034 longrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   74 and name   HN)  4 2 2  !V70/Q68HB/HB2-V74HN  1214213 medrange
assign ((resid  62 and name  HD2#) OR 
        (resid   66 and name  HD2#) OR 
        (resid   69 and name  HD1#))   (resid   68 and name  HE2#)  4 2 2 !L62/L66/L69HD2#/HD2/HD1-Q68HE22# 1192515 longrange
assign ((resid  71 and name   HN) OR 
        (resid   69 and name   HN) OR 
        (resid   63 and name   HN))   (resid   72 and name   HE)  4 2 2  !G63/L69/C71HN-R72HE  1154776 longrange
assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   (resid   63 and name   HN)  4 2 2  !R64/R72HD#-G63HN  965008 sqntl
assign ((resid  79 and name   HA) OR 
        (resid   61 and name   HA))   (resid   60 and name   HN)  4 2 2  !L61/I79HA-T60HN  906038 sqntl
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   64 and name   HN)  4 2 2  !V70/Q68HB/HB2-R64HN  876561 longrange
assign ((resid  72 and name  HD#) OR 
        (resid   64 and name  HD#))   (resid   68 and name  HE2#)  4 2 2 !R64/R72HD#-Q68HE21#  832681 medrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   68 and name  HE2#)  4 2 2 !V70/Q68HB/HB2-Q68HE21#  800948 medrange
assign ((resid  70 and name   HB) OR 
        (resid   68 and name  HB#))   (resid   68 and name  HE2#)  4 2 2 !V70/Q68HB/HB2-Q68HE22#  716009 medrange
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP  59           HT1      ASP  59  -4.999  -2.242   6.232
    2    H2   ASP  59           HT2      ASP  59  -5.135  -1.204   4.894
    3    H3   ASP  59           HT3      ASP  59  -5.121  -2.890   4.668
    4    HA   ASP  59           HA       ASP  59  -7.276  -3.144   5.220
    5    HB2  ASP  59           HB3      ASP  59  -6.772  -0.852   7.125
    6    HB3  ASP  59           HB2      ASP  59  -8.372  -1.547   6.874
    7    H    THR  60           HN       THR  60  -5.749  -0.849   3.579
    8    HA   THR  60           HA       THR  60  -8.208   0.509   2.667
    9    HB   THR  60           HB       THR  60  -6.757   2.365   1.972
   10    HG1  THR  60           HG1      THR  60  -4.611   2.313   2.453
   11   HG21  THR  60          HG21      THR  60  -7.801   2.161   4.296
   12   HG22  THR  60          HG22      THR  60  -6.439   3.273   4.149
   13   HG23  THR  60          HG23      THR  60  -6.201   1.676   4.860
   14    H    LEU  61           HN       LEU  61  -8.605   0.688   0.565
   15    HA   LEU  61           HA       LEU  61  -8.572   0.262  -1.677
   16    HB2  LEU  61           HB3      LEU  61  -5.683  -0.591  -1.403
   17    HB3  LEU  61           HB2      LEU  61  -6.511  -0.039  -2.853
   18    HG   LEU  61           HG       LEU  61  -5.924   1.636  -0.395
   19   HD11  LEU  61          HD11      LEU  61  -4.473   2.894  -1.972
   20   HD12  LEU  61          HD12      LEU  61  -4.827   1.700  -3.220
   21   HD13  LEU  61          HD13      LEU  61  -3.946   1.224  -1.768
   22   HD21  LEU  61          HD21      LEU  61  -6.745   3.477  -2.055
   23   HD22  LEU  61          HD22      LEU  61  -7.946   2.498  -1.221
   24   HD23  LEU  61          HD23      LEU  61  -7.534   2.143  -2.896
   25    H    LEU  62           HN       LEU  62  -8.276  -1.853   0.716
   26    HA   LEU  62           HA       LEU  62  -9.363  -4.011  -0.750
   27    HB2  LEU  62           HB3      LEU  62  -7.428  -5.622   0.049
   28    HB3  LEU  62           HB2      LEU  62  -7.283  -4.759  -1.476
   29    HG   LEU  62           HG       LEU  62  -6.035  -2.942  -0.193
   30   HD11  LEU  62          HD11      LEU  62  -4.931  -3.809   1.921
   31   HD12  LEU  62          HD12      LEU  62  -6.132  -5.099   1.924
   32   HD13  LEU  62          HD13      LEU  62  -6.641  -3.415   2.077
   33   HD21  LEU  62          HD21      LEU  62  -4.890  -4.568  -1.617
   34   HD22  LEU  62          HD22      LEU  62  -4.873  -5.733  -0.294
   35   HD23  LEU  62          HD23      LEU  62  -3.931  -4.248  -0.172
   36    H    GLY  63           HN       GLY  63 -10.572  -2.878   1.061
   37    HA2  GLY  63           HA3      GLY  63 -11.406  -4.488   3.031
   38    HA3  GLY  63           HA2      GLY  63  -9.962  -3.790   3.757
   39    H    ARG  64           HN       ARG  64 -10.990  -1.481   1.739
   40    HA   ARG  64           HA       ARG  64 -12.848  -0.223   3.650
   41    HB2  ARG  64           HB3      ARG  64 -10.291   0.527   3.481
   42    HB3  ARG  64           HB2      ARG  64 -10.892   1.449   2.113
   43    HG2  ARG  64           HG3      ARG  64 -11.183   2.971   3.847
   44    HG3  ARG  64           HG2      ARG  64 -12.763   2.188   3.827
   45    HD2  ARG  64           HD3      ARG  64 -10.557   1.974   5.836
   46    HD3  ARG  64           HD2      ARG  64 -12.298   2.010   6.090
   47    HE   ARG  64           HE       ARG  64 -11.469  -0.405   4.782
   48   HH11  ARG  64          HH21      ARG  64 -11.630   1.271   7.805
   49   HH12  ARG  64          HH22      ARG  64 -11.660  -0.172   8.763
   50   HH21  ARG  64          HH11      ARG  64 -11.505  -2.304   6.032
   51   HH22  ARG  64          HH12      ARG  64 -11.589  -2.194   7.760
   52    H    ILE  65           HN       ILE  65 -12.329  -1.340   0.522
   53    HA   ILE  65           HA       ILE  65 -14.413   0.457  -0.547
   54    HB   ILE  65           HB       ILE  65 -12.247  -0.809  -2.214
   55   HG12  ILE  65          HG13      ILE  65 -12.346   1.998  -1.059
   56   HG13  ILE  65          HG12      ILE  65 -11.237   0.726  -0.540
   57   HG21  ILE  65          HG21      ILE  65 -13.924   1.651  -2.756
   58   HG22  ILE  65          HG22      ILE  65 -14.481   0.039  -3.189
   59   HG23  ILE  65          HG23      ILE  65 -13.006   0.680  -3.907
   60   HD11  ILE  65          HD11      ILE  65 -10.484   0.568  -2.967
   61   HD12  ILE  65          HD12      ILE  65 -10.027   2.046  -2.121
   62   HD13  ILE  65          HD13      ILE  65 -11.380   2.060  -3.247
   63    H    LEU  66           HN       LEU  66 -12.900  -2.726  -1.365
   64    HA   LEU  66           HA       LEU  66 -15.631  -3.659  -2.063
   65    HB2  LEU  66           HB3      LEU  66 -13.431  -5.418  -2.974
   66    HB3  LEU  66           HB2      LEU  66 -14.830  -4.815  -3.838
   67    HG   LEU  66           HG       LEU  66 -12.413  -3.089  -3.236
   68   HD11  LEU  66          HD11      LEU  66 -12.004  -3.444  -5.736
   69   HD12  LEU  66          HD12      LEU  66 -13.098  -4.822  -5.611
   70   HD13  LEU  66          HD13      LEU  66 -11.603  -4.794  -4.676
   71   HD21  LEU  66          HD21      LEU  66 -14.814  -2.158  -3.761
   72   HD22  LEU  66          HD22      LEU  66 -14.471  -2.692  -5.405
   73   HD23  LEU  66          HD23      LEU  66 -13.430  -1.499  -4.631
   74    HA   PRO  67           HA       PRO  67 -14.075  -7.230   0.595
   75    HB2  PRO  67           HB3      PRO  67 -11.515  -6.494   1.856
   76    HB3  PRO  67           HB2      PRO  67 -11.895  -7.909   0.859
   77    HG2  PRO  67           HG3      PRO  67 -10.287  -5.953  -0.018
   78    HG3  PRO  67           HG2      PRO  67 -11.363  -6.838  -1.109
   79    HD2  PRO  67           HD3      PRO  67 -11.816  -4.131   0.156
   80    HD3  PRO  67           HD2      PRO  67 -12.021  -4.614  -1.533
   81    H    GLN  68           HN       GLN  68 -13.924  -3.925   1.389
   82    HA   GLN  68           HA       GLN  68 -13.811  -3.967   4.180
   83    HB2  GLN  68           HB3      GLN  68 -14.592  -1.771   4.075
   84    HB3  GLN  68           HB2      GLN  68 -13.914  -2.008   2.482
   85    HG2  GLN  68           HG3      GLN  68 -16.146  -2.477   1.562
   86    HG3  GLN  68           HG2      GLN  68 -16.859  -2.251   3.159
   87   HE21  GLN  68          HE21      GLN  68 -16.572  -0.073   4.173
   88   HE22  GLN  68          HE22      GLN  68 -16.472   1.293   3.143
   89    H    LEU  69           HN       LEU  69 -16.228  -4.907   1.951
   90    HA   LEU  69           HA       LEU  69 -18.566  -4.762   3.468
   91    HB2  LEU  69           HB3      LEU  69 -17.592  -6.465   1.199
   92    HB3  LEU  69           HB2      LEU  69 -19.044  -7.001   2.043
   93    HG   LEU  69           HG       LEU  69 -20.097  -4.853   1.647
   94   HD11  LEU  69          HD11      LEU  69 -18.347  -3.275   1.669
   95   HD12  LEU  69          HD12      LEU  69 -18.877  -3.285  -0.011
   96   HD13  LEU  69          HD13      LEU  69 -17.421  -4.157   0.460
   97   HD21  LEU  69          HD21      LEU  69 -20.104  -4.944  -0.917
   98   HD22  LEU  69          HD22      LEU  69 -20.507  -6.446  -0.082
   99   HD23  LEU  69          HD23      LEU  69 -18.896  -6.220  -0.765
  100    H    VAL  70           HN       VAL  70 -16.138  -7.272   3.201
  101    HA   VAL  70           HA       VAL  70 -17.335  -8.761   5.406
  102    HB   VAL  70           HB       VAL  70 -15.513 -10.385   5.015
  103   HG11  VAL  70          HG11      VAL  70 -16.853  -9.629   2.410
  104   HG12  VAL  70          HG12      VAL  70 -17.726 -10.374   3.749
  105   HG13  VAL  70          HG13      VAL  70 -16.407 -11.242   2.966
  106   HG21  VAL  70          HG21      VAL  70 -13.888  -8.614   4.139
  107   HG22  VAL  70          HG22      VAL  70 -14.785  -8.678   2.623
  108   HG23  VAL  70          HG23      VAL  70 -13.952 -10.113   3.216
  109    H    CYS  71           HN       CYS  71 -16.498  -6.166   6.021
  110    HA   CYS  71           HA       CYS  71 -14.455  -6.749   8.066
  111    HB2  CYS  71           HB3      CYS  71 -13.416  -5.646   6.005
  112    HB3  CYS  71           HB2      CYS  71 -14.357  -4.217   6.432
  113    HG   CYS  71           HG       CYS  71 -12.845  -3.771   8.361
  114    H    ARG  72           HN       ARG  72 -16.790  -4.376   6.783
  115    HA   ARG  72           HA       ARG  72 -17.294  -3.451   9.542
  116    HB2  ARG  72           HB3      ARG  72 -17.493  -2.176   6.843
  117    HB3  ARG  72           HB2      ARG  72 -18.641  -1.649   8.069
  118    HG2  ARG  72           HG3      ARG  72 -16.811  -0.170   8.304
  119    HG3  ARG  72           HG2      ARG  72 -16.576  -1.328   9.607
  120    HD2  ARG  72           HD3      ARG  72 -14.449  -1.094   8.555
  121    HD3  ARG  72           HD2      ARG  72 -15.092  -2.634   7.993
  122    HE   ARG  72           HE       ARG  72 -15.319  -1.722   5.852
  123   HH11  ARG  72          HH21      ARG  72 -14.589   0.684   8.233
  124   HH12  ARG  72          HH22      ARG  72 -14.291   1.942   7.080
  125   HH21  ARG  72          HH11      ARG  72 -14.929  -0.059   4.327
  126   HH22  ARG  72          HH12      ARG  72 -14.481   1.520   4.874
  127    H    LEU  73           HN       LEU  73 -18.610  -5.478   7.137
  128    HA   LEU  73           HA       LEU  73 -21.350  -5.104   8.235
  129    HB2  LEU  73           HB3      LEU  73 -20.652  -6.641   5.741
  130    HB3  LEU  73           HB2      LEU  73 -22.224  -6.053   6.255
  131    HG   LEU  73           HG       LEU  73 -19.868  -4.311   5.474
  132   HD11  LEU  73          HD11      LEU  73 -21.105  -5.566   3.638
  133   HD12  LEU  73          HD12      LEU  73 -21.102  -3.808   3.487
  134   HD13  LEU  73          HD13      LEU  73 -22.539  -4.639   4.087
  135   HD21  LEU  73          HD21      LEU  73 -22.638  -3.716   6.536
  136   HD22  LEU  73          HD22      LEU  73 -21.762  -2.537   5.560
  137   HD23  LEU  73          HD23      LEU  73 -21.090  -3.082   7.095
  138    H    VAL  74           HN       VAL  74 -18.836  -7.516   7.629
  139    HA   VAL  74           HA       VAL  74 -20.514  -9.619   8.821
  140    HB   VAL  74           HB       VAL  74 -17.752  -9.751   7.596
  141   HG11  VAL  74          HG11      VAL  74 -19.657 -11.865   8.638
  142   HG12  VAL  74          HG12      VAL  74 -18.007 -11.552   9.178
  143   HG13  VAL  74          HG13      VAL  74 -18.297 -12.230   7.575
  144   HG21  VAL  74          HG21      VAL  74 -20.472 -10.596   6.543
  145   HG22  VAL  74          HG22      VAL  74 -18.932 -10.807   5.710
  146   HG23  VAL  74          HG23      VAL  74 -19.565  -9.187   5.996
  147    H    LEU  75           HN       LEU  75 -17.182  -8.379   9.291
  148    HA   LEU  75           HA       LEU  75 -16.786  -9.712  11.748
  149    HB2  LEU  75           HB3      LEU  75 -15.458  -7.313  10.501
  150    HB3  LEU  75           HB2      LEU  75 -14.971  -7.932  12.077
  151    HG   LEU  75           HG       LEU  75 -14.540 -10.146  11.072
  152   HD11  LEU  75          HD11      LEU  75 -15.566  -8.748   8.604
  153   HD12  LEU  75          HD12      LEU  75 -16.016 -10.325   9.248
  154   HD13  LEU  75          HD13      LEU  75 -14.452 -10.110   8.465
  155   HD21  LEU  75          HD21      LEU  75 -12.619  -9.395   9.564
  156   HD22  LEU  75          HD22      LEU  75 -12.644  -8.684  11.177
  157   HD23  LEU  75          HD23      LEU  75 -13.205  -7.746   9.794
  158    H    ARG  76           HN       ARG  76 -18.016  -6.488  10.974
  159    HA   ARG  76           HA       ARG  76 -18.127  -5.481  13.606
  160    HB2  ARG  76           HB3      ARG  76 -18.426  -4.090  11.572
  161    HB3  ARG  76           HB2      ARG  76 -19.990  -4.860  11.298
  162    HG2  ARG  76           HG3      ARG  76 -20.786  -4.036  13.486
  163    HG3  ARG  76           HG2      ARG  76 -19.221  -3.271  13.767
  164    HD2  ARG  76           HD3      ARG  76 -21.051  -2.641  11.435
  165    HD3  ARG  76           HD2      ARG  76 -20.936  -1.677  12.905
  166    HE   ARG  76           HE       ARG  76 -18.997  -1.783  10.744
  167   HH11  ARG  76          HH21      ARG  76 -19.644  -1.044  14.063
  168   HH12  ARG  76          HH22      ARG  76 -18.328   0.073  14.215
  169   HH21  ARG  76          HH11      ARG  76 -17.271  -0.318  10.937
  170   HH22  ARG  76          HH12      ARG  76 -16.984   0.483  12.446
  171    H    CYS  77           HN       CYS  77 -20.390  -7.415  11.720
  172    HA   CYS  77           HA       CYS  77 -22.602  -7.341  13.446
  173    HB2  CYS  77           HB3      CYS  77 -22.670  -8.236  11.151
  174    HB3  CYS  77           HB2      CYS  77 -21.664  -9.593  11.662
  175    HG   CYS  77           HG       CYS  77 -24.243  -9.294  13.302
  176    H    SER  78           HN       SER  78 -19.927  -9.677  13.241
  177    HA   SER  78           HA       SER  78 -20.809 -11.033  15.671
  178    HB2  SER  78           HB3      SER  78 -18.877 -12.508  15.239
  179    HB3  SER  78           HB2      SER  78 -19.909 -12.365  13.819
  180    HG   SER  78           HG       SER  78 -17.914 -11.994  13.049
  181    H    ILE  79           HN       ILE  79 -20.245  -8.354  16.116
  182    HA   ILE  79           HA       ILE  79 -18.858  -6.868  17.206
  183    HB   ILE  79           HB       ILE  79 -18.283  -7.647  19.460
  184   HG12  ILE  79          HG13      ILE  79 -19.298 -10.369  18.598
  185   HG13  ILE  79          HG12      ILE  79 -17.581  -9.983  18.719
  186   HG21  ILE  79          HG21      ILE  79 -20.564  -6.955  19.065
  187   HG22  ILE  79          HG22      ILE  79 -20.598  -8.376  20.108
  188   HG23  ILE  79          HG23      ILE  79 -20.971  -8.533  18.391
  189   HD11  ILE  79          HD11      ILE  79 -19.614  -9.830  20.960
  190   HD12  ILE  79          HD12      ILE  79 -17.926  -9.340  21.097
  191   HD13  ILE  79          HD13      ILE  79 -18.333 -11.030  20.793
  192    H    ASP  80           HN       ASP  80 -17.556  -8.579  15.157
  193    HA   ASP  80           HA       ASP  80 -15.439  -9.031  14.371
  194    HB2  ASP  80           HB3      ASP  80 -15.200  -6.608  14.715
  195    HB3  ASP  80           HB2      ASP  80 -14.695  -6.891  16.379
  Start of MODEL    2
    1    H1   ASP  59           HT1      ASP  59  -5.672  -3.326   3.880
    2    H2   ASP  59           HT2      ASP  59  -5.747  -4.536   5.069
    3    H3   ASP  59           HT3      ASP  59  -4.957  -3.068   5.395
    4    HA   ASP  59           HA       ASP  59  -7.768  -3.721   5.505
    5    HB2  ASP  59           HB3      ASP  59  -5.918  -1.661   6.719
    6    HB3  ASP  59           HB2      ASP  59  -7.653  -1.683   7.030
    7    H    THR  60           HN       THR  60  -5.697  -1.194   4.121
    8    HA   THR  60           HA       THR  60  -8.051   0.194   3.038
    9    HB   THR  60           HB       THR  60  -6.442   1.971   2.464
   10    HG1  THR  60           HG1      THR  60  -4.331   1.708   2.825
   11   HG21  THR  60          HG21      THR  60  -5.662   2.395   4.901
   12   HG22  THR  60          HG22      THR  60  -6.526   0.906   5.285
   13   HG23  THR  60          HG23      THR  60  -7.393   2.278   4.595
   14    H    LEU  61           HN       LEU  61  -8.360   0.478   0.885
   15    HA   LEU  61           HA       LEU  61  -8.278   0.062  -1.356
   16    HB2  LEU  61           HB3      LEU  61  -5.426  -0.869  -0.988
   17    HB3  LEU  61           HB2      LEU  61  -6.182  -0.272  -2.460
   18    HG   LEU  61           HG       LEU  61  -5.687   1.346   0.055
   19   HD11  LEU  61          HD11      LEU  61  -3.657   0.831  -1.286
   20   HD12  LEU  61          HD12      LEU  61  -4.057   2.548  -1.313
   21   HD13  LEU  61          HD13      LEU  61  -4.441   1.533  -2.702
   22   HD21  LEU  61          HD21      LEU  61  -6.354   3.234  -1.615
   23   HD22  LEU  61          HD22      LEU  61  -7.639   2.265  -0.897
   24   HD23  LEU  61          HD23      LEU  61  -7.105   1.936  -2.546
   25    H    LEU  62           HN       LEU  62  -8.029  -2.094   1.021
   26    HA   LEU  62           HA       LEU  62  -9.169  -4.220  -0.476
   27    HB2  LEU  62           HB3      LEU  62  -7.286  -5.863   0.466
   28    HB3  LEU  62           HB2      LEU  62  -7.108  -5.092  -1.106
   29    HG   LEU  62           HG       LEU  62  -5.828  -3.245   0.044
   30   HD11  LEU  62          HD11      LEU  62  -6.562  -3.516   2.329
   31   HD12  LEU  62          HD12      LEU  62  -4.842  -3.897   2.276
   32   HD13  LEU  62          HD13      LEU  62  -6.030  -5.196   2.348
   33   HD21  LEU  62          HD21      LEU  62  -3.783  -4.693   0.379
   34   HD22  LEU  62          HD22      LEU  62  -4.610  -4.917  -1.161
   35   HD23  LEU  62          HD23      LEU  62  -4.831  -6.091   0.137
   36    H    GLY  63           HN       GLY  63 -10.403  -3.019   1.258
   37    HA2  GLY  63           HA3      GLY  63 -11.350  -4.544   3.249
   38    HA3  GLY  63           HA2      GLY  63  -9.918  -3.852   4.000
   39    H    ARG  64           HN       ARG  64 -10.762  -1.550   1.907
   40    HA   ARG  64           HA       ARG  64 -12.700  -0.222   3.693
   41    HB2  ARG  64           HB3      ARG  64 -10.186   0.878   2.433
   42    HB3  ARG  64           HB2      ARG  64 -11.486   1.922   3.001
   43    HG2  ARG  64           HG3      ARG  64 -10.311  -0.198   4.796
   44    HG3  ARG  64           HG2      ARG  64  -9.544   1.376   4.643
   45    HD2  ARG  64           HD3      ARG  64 -11.110   2.358   5.975
   46    HD3  ARG  64           HD2      ARG  64 -12.443   1.608   5.101
   47    HE   ARG  64           HE       ARG  64 -11.514  -0.475   6.507
   48   HH11  ARG  64          HH21      ARG  64 -12.152   2.814   7.383
   49   HH12  ARG  64          HH22      ARG  64 -12.558   2.444   9.025
   50   HH21  ARG  64          HH11      ARG  64 -12.047  -0.967   8.659
   51   HH22  ARG  64          HH12      ARG  64 -12.497   0.303   9.747
   52    H    ILE  65           HN       ILE  65 -12.156  -1.485   0.661
   53    HA   ILE  65           HA       ILE  65 -14.129   0.346  -0.547
   54    HB   ILE  65           HB       ILE  65 -11.925  -0.998  -2.099
   55   HG12  ILE  65          HG13      ILE  65 -12.016   1.838  -1.011
   56   HG13  ILE  65          HG12      ILE  65 -10.953   0.559  -0.417
   57   HG21  ILE  65          HG21      ILE  65 -14.113  -0.121  -3.168
   58   HG22  ILE  65          HG22      ILE  65 -12.598   0.447  -3.859
   59   HG23  ILE  65          HG23      ILE  65 -13.516   1.486  -2.770
   60   HD11  ILE  65          HD11      ILE  65 -10.965   1.814  -3.166
   61   HD12  ILE  65          HD12      ILE  65 -10.092   0.330  -2.791
   62   HD13  ILE  65          HD13      ILE  65  -9.663   1.836  -1.978
   63    H    LEU  66           HN       LEU  66 -12.643  -2.850  -1.362
   64    HA   LEU  66           HA       LEU  66 -15.361  -3.747  -2.103
   65    HB2  LEU  66           HB3      LEU  66 -13.172  -5.599  -2.839
   66    HB3  LEU  66           HB2      LEU  66 -14.500  -4.981  -3.798
   67    HG   LEU  66           HG       LEU  66 -12.057  -3.319  -3.121
   68   HD11  LEU  66          HD11      LEU  66 -12.696  -5.048  -5.515
   69   HD12  LEU  66          HD12      LEU  66 -11.279  -5.135  -4.467
   70   HD13  LEU  66          HD13      LEU  66 -11.492  -3.761  -5.552
   71   HD21  LEU  66          HD21      LEU  66 -12.939  -1.736  -4.609
   72   HD22  LEU  66          HD22      LEU  66 -14.386  -2.312  -3.786
   73   HD23  LEU  66          HD23      LEU  66 -13.993  -2.911  -5.395
   74    HA   PRO  67           HA       PRO  67 -14.031  -7.278   0.743
   75    HB2  PRO  67           HB3      PRO  67 -11.519  -6.554   2.108
   76    HB3  PRO  67           HB2      PRO  67 -11.884  -7.997   1.145
   77    HG2  PRO  67           HG3      PRO  67 -10.188  -6.112   0.279
   78    HG3  PRO  67           HG2      PRO  67 -11.237  -7.005  -0.833
   79    HD2  PRO  67           HD3      PRO  67 -11.677  -4.248   0.328
   80    HD3  PRO  67           HD2      PRO  67 -11.811  -4.777  -1.356
   81    H    GLN  68           HN       GLN  68 -13.774  -3.949   1.475
   82    HA   GLN  68           HA       GLN  68 -13.851  -3.932   4.263
   83    HB2  GLN  68           HB3      GLN  68 -14.575  -1.716   4.080
   84    HB3  GLN  68           HB2      GLN  68 -13.777  -1.990   2.549
   85    HG2  GLN  68           HG3      GLN  68 -15.923  -2.379   1.440
   86    HG3  GLN  68           HG2      GLN  68 -16.774  -2.178   2.970
   87   HE21  GLN  68          HE21      GLN  68 -16.319  -0.010   4.116
   88   HE22  GLN  68          HE22      GLN  68 -16.212   1.369   3.103
   89    H    LEU  69           HN       LEU  69 -16.076  -4.915   1.909
   90    HA   LEU  69           HA       LEU  69 -18.530  -4.643   3.233
   91    HB2  LEU  69           HB3      LEU  69 -17.585  -6.720   1.236
   92    HB3  LEU  69           HB2      LEU  69 -19.263  -6.522   1.733
   93    HG   LEU  69           HG       LEU  69 -17.583  -4.322   0.492
   94   HD11  LEU  69          HD11      LEU  69 -17.871  -5.975  -1.200
   95   HD12  LEU  69          HD12      LEU  69 -19.122  -4.769  -1.501
   96   HD13  LEU  69          HD13      LEU  69 -19.535  -6.292  -0.711
   97   HD21  LEU  69          HD21      LEU  69 -19.304  -3.213   1.621
   98   HD22  LEU  69          HD22      LEU  69 -20.439  -4.544   1.425
   99   HD23  LEU  69          HD23      LEU  69 -20.064  -3.494   0.060
  100    H    VAL  70           HN       VAL  70 -16.065  -7.137   3.297
  101    HA   VAL  70           HA       VAL  70 -17.581  -8.626   5.325
  102    HB   VAL  70           HB       VAL  70 -15.772 -10.324   5.074
  103   HG11  VAL  70          HG11      VAL  70 -16.491 -11.073   2.843
  104   HG12  VAL  70          HG12      VAL  70 -17.111  -9.460   2.493
  105   HG13  VAL  70          HG13      VAL  70 -17.862 -10.439   3.755
  106   HG21  VAL  70          HG21      VAL  70 -14.105 -10.106   3.373
  107   HG22  VAL  70          HG22      VAL  70 -14.066  -8.590   4.270
  108   HG23  VAL  70          HG23      VAL  70 -14.874  -8.668   2.704
  109    H    CYS  71           HN       CYS  71 -16.537  -6.020   5.933
  110    HA   CYS  71           HA       CYS  71 -14.695  -6.755   8.135
  111    HB2  CYS  71           HB3      CYS  71 -14.437  -4.231   6.495
  112    HB3  CYS  71           HB2      CYS  71 -13.357  -4.797   7.766
  113    HG   CYS  71           HG       CYS  71 -13.447  -6.930   5.691
  114    H    ARG  72           HN       ARG  72 -16.855  -4.261   6.786
  115    HA   ARG  72           HA       ARG  72 -17.432  -3.316   9.514
  116    HB2  ARG  72           HB3      ARG  72 -17.594  -2.113   6.786
  117    HB3  ARG  72           HB2      ARG  72 -18.788  -1.571   7.961
  118    HG2  ARG  72           HG3      ARG  72 -16.968  -0.063   8.191
  119    HG3  ARG  72           HG2      ARG  72 -16.797  -1.162   9.554
  120    HD2  ARG  72           HD3      ARG  72 -14.622  -1.005   8.621
  121    HD3  ARG  72           HD2      ARG  72 -15.252  -2.541   8.036
  122    HE   ARG  72           HE       ARG  72 -15.331  -1.653   5.875
  123   HH11  ARG  72          HH21      ARG  72 -14.803   0.782   8.279
  124   HH12  ARG  72          HH22      ARG  72 -14.388   2.022   7.145
  125   HH21  ARG  72          HH11      ARG  72 -14.778  -0.004   4.369
  126   HH22  ARG  72          HH12      ARG  72 -14.377   1.578   4.940
  127    H    LEU  73           HN       LEU  73 -18.691  -5.430   7.191
  128    HA   LEU  73           HA       LEU  73 -21.456  -5.046   8.201
  129    HB2  LEU  73           HB3      LEU  73 -20.707  -6.773   5.859
  130    HB3  LEU  73           HB2      LEU  73 -22.272  -6.090   6.265
  131    HG   LEU  73           HG       LEU  73 -19.828  -4.510   5.406
  132   HD11  LEU  73          HD11      LEU  73 -22.412  -5.288   4.038
  133   HD12  LEU  73          HD12      LEU  73 -20.761  -5.590   3.496
  134   HD13  LEU  73          HD13      LEU  73 -21.410  -3.950   3.476
  135   HD21  LEU  73          HD21      LEU  73 -22.602  -3.712   6.323
  136   HD22  LEU  73          HD22      LEU  73 -21.616  -2.650   5.318
  137   HD23  LEU  73          HD23      LEU  73 -21.048  -3.128   6.916
  138    H    VAL  74           HN       VAL  74 -18.878  -7.428   7.819
  139    HA   VAL  74           HA       VAL  74 -20.529  -9.472   9.165
  140    HB   VAL  74           HB       VAL  74 -17.807  -9.726   7.872
  141   HG11  VAL  74          HG11      VAL  74 -18.381 -12.159   7.938
  142   HG12  VAL  74          HG12      VAL  74 -19.818 -11.762   8.879
  143   HG13  VAL  74          HG13      VAL  74 -18.216 -11.456   9.546
  144   HG21  VAL  74          HG21      VAL  74 -20.541 -10.532   6.832
  145   HG22  VAL  74          HG22      VAL  74 -19.002 -10.701   5.987
  146   HG23  VAL  74          HG23      VAL  74 -19.664  -9.097   6.305
  147    H    LEU  75           HN       LEU  75 -17.149  -8.293   9.387
  148    HA   LEU  75           HA       LEU  75 -16.689  -9.447  11.930
  149    HB2  LEU  75           HB3      LEU  75 -15.297  -7.333  10.311
  150    HB3  LEU  75           HB2      LEU  75 -14.774  -7.669  11.958
  151    HG   LEU  75           HG       LEU  75 -14.338  -9.985  11.417
  152   HD11  LEU  75          HD11      LEU  75 -14.631 -10.668   8.938
  153   HD12  LEU  75          HD12      LEU  75 -15.706  -9.274   8.820
  154   HD13  LEU  75          HD13      LEU  75 -16.082 -10.585   9.936
  155   HD21  LEU  75          HD21      LEU  75 -12.680  -8.158  10.732
  156   HD22  LEU  75          HD22      LEU  75 -13.281  -8.368   9.087
  157   HD23  LEU  75          HD23      LEU  75 -12.495  -9.711   9.917
  158    H    ARG  76           HN       ARG  76 -18.263  -6.541  10.960
  159    HA   ARG  76           HA       ARG  76 -17.912  -4.962  13.252
  160    HB2  ARG  76           HB3      ARG  76 -18.876  -4.103  11.173
  161    HB3  ARG  76           HB2      ARG  76 -20.308  -5.103  11.416
  162    HG2  ARG  76           HG3      ARG  76 -20.858  -3.914  13.463
  163    HG3  ARG  76           HG2      ARG  76 -19.349  -3.002  13.382
  164    HD2  ARG  76           HD3      ARG  76 -21.222  -1.649  12.540
  165    HD3  ARG  76           HD2      ARG  76 -20.071  -1.994  11.251
  166    HE   ARG  76           HE       ARG  76 -21.679  -3.338  10.222
  167   HH11  ARG  76          HH21      ARG  76 -22.628  -2.415  13.417
  168   HH12  ARG  76          HH22      ARG  76 -24.250  -3.000  13.253
  169   HH21  ARG  76          HH11      ARG  76 -23.805  -4.106   9.998
  170   HH22  ARG  76          HH12      ARG  76 -24.916  -3.958  11.318
  171    H    CYS  77           HN       CYS  77 -20.326  -7.469  12.520
  172    HA   CYS  77           HA       CYS  77 -21.264  -7.310  15.337
  173    HB2  CYS  77           HB3      CYS  77 -22.696  -8.298  12.865
  174    HB3  CYS  77           HB2      CYS  77 -23.344  -8.348  14.503
  175    HG   CYS  77           HG       CYS  77 -24.118  -6.115  13.268
  176    H    SER  78           HN       SER  78 -19.972  -9.424  12.853
  177    HA   SER  78           HA       SER  78 -20.646 -11.900  13.995
  178    HB2  SER  78           HB3      SER  78 -19.749 -11.703  11.720
  179    HB3  SER  78           HB2      SER  78 -18.199 -11.180  12.372
  180    HG   SER  78           HG       SER  78 -17.869 -13.165  13.209
  181    H    ILE  79           HN       ILE  79 -17.710  -9.931  14.413
  182    HA   ILE  79           HA       ILE  79 -17.064 -11.535  16.830
  183    HB   ILE  79           HB       ILE  79 -15.415 -11.746  14.981
  184   HG12  ILE  79          HG13      ILE  79 -14.275 -10.151  17.288
  185   HG13  ILE  79          HG12      ILE  79 -14.828 -11.817  17.464
  186   HG21  ILE  79          HG21      ILE  79 -15.770  -9.437  14.080
  187   HG22  ILE  79          HG22      ILE  79 -14.072  -9.837  14.327
  188   HG23  ILE  79          HG23      ILE  79 -14.910  -8.798  15.479
  189   HD11  ILE  79          HD11      ILE  79 -12.829 -10.993  15.352
  190   HD12  ILE  79          HD12      ILE  79 -13.208 -12.623  15.908
  191   HD13  ILE  79          HD13      ILE  79 -12.337 -11.510  16.965
  192    H    ASP  80           HN       ASP  80 -17.995  -8.490  15.651
  193    HA   ASP  80           HA       ASP  80 -18.000  -6.367  16.574
  194    HB2  ASP  80           HB3      ASP  80 -19.671  -7.534  17.949
  195    HB3  ASP  80           HB2      ASP  80 -18.404  -8.037  19.066
  Start of MODEL    3
    1    H1   ASP  59           HT1      ASP  59  -4.383  -1.249   4.577
    2    H2   ASP  59           HT2      ASP  59  -4.658  -1.865   6.137
    3    H3   ASP  59           HT3      ASP  59  -5.067  -0.257   5.770
    4    HA   ASP  59           HA       ASP  59  -6.309  -2.611   4.465
    5    HB2  ASP  59           HB3      ASP  59  -8.252  -2.143   5.910
    6    HB3  ASP  59           HB2      ASP  59  -6.838  -2.593   6.864
    7    H    THR  60           HN       THR  60  -5.686  -1.074   2.618
    8    HA   THR  60           HA       THR  60  -7.977   0.681   2.099
    9    HB   THR  60           HB       THR  60  -6.479   2.403   1.155
   10    HG1  THR  60           HG1      THR  60  -4.224   2.077   2.117
   11   HG21  THR  60          HG21      THR  60  -7.325   2.395   3.560
   12   HG22  THR  60          HG22      THR  60  -5.896   3.382   3.254
   13   HG23  THR  60          HG23      THR  60  -5.727   1.803   4.020
   14    H    LEU  61           HN       LEU  61  -8.728   0.541   0.093
   15    HA   LEU  61           HA       LEU  61  -8.919  -0.023  -2.109
   16    HB2  LEU  61           HB3      LEU  61  -6.221   0.618  -1.891
   17    HB3  LEU  61           HB2      LEU  61  -6.167  -1.009  -2.558
   18    HG   LEU  61           HG       LEU  61  -7.823   1.264  -3.691
   19   HD11  LEU  61          HD11      LEU  61  -5.471   1.768  -3.991
   20   HD12  LEU  61          HD12      LEU  61  -6.110   1.197  -5.533
   21   HD13  LEU  61          HD13      LEU  61  -5.142   0.121  -4.526
   22   HD21  LEU  61          HD21      LEU  61  -8.821  -0.814  -4.305
   23   HD22  LEU  61          HD22      LEU  61  -7.252  -1.580  -4.554
   24   HD23  LEU  61          HD23      LEU  61  -7.827  -0.360  -5.688
   25    H    LEU  62           HN       LEU  62  -8.281  -1.924   0.386
   26    HA   LEU  62           HA       LEU  62  -9.450  -4.225  -0.790
   27    HB2  LEU  62           HB3      LEU  62  -7.387  -5.707  -0.054
   28    HB3  LEU  62           HB2      LEU  62  -7.409  -4.964  -1.648
   29    HG   LEU  62           HG       LEU  62  -6.124  -3.011  -0.625
   30   HD11  LEU  62          HD11      LEU  62  -4.809  -3.674   1.442
   31   HD12  LEU  62          HD12      LEU  62  -5.950  -5.000   1.648
   32   HD13  LEU  62          HD13      LEU  62  -6.514  -3.330   1.721
   33   HD21  LEU  62          HD21      LEU  62  -4.952  -4.560  -2.016
   34   HD22  LEU  62          HD22      LEU  62  -4.965  -5.796  -0.759
   35   HD23  LEU  62          HD23      LEU  62  -3.967  -4.355  -0.568
   36    H    GLY  63           HN       GLY  63 -10.494  -2.929   1.058
   37    HA2  GLY  63           HA3      GLY  63 -11.139  -4.413   3.183
   38    HA3  GLY  63           HA2      GLY  63  -9.623  -3.704   3.730
   39    H    ARG  64           HN       ARG  64 -10.820  -1.455   1.730
   40    HA   ARG  64           HA       ARG  64 -12.502  -0.132   3.757
   41    HB2  ARG  64           HB3      ARG  64  -9.911   0.559   3.306
   42    HB3  ARG  64           HB2      ARG  64 -10.691   1.572   2.105
   43    HG2  ARG  64           HG3      ARG  64 -10.744   2.979   3.952
   44    HG3  ARG  64           HG2      ARG  64 -12.304   2.175   4.125
   45    HD2  ARG  64           HD3      ARG  64  -9.816   1.877   5.757
   46    HD3  ARG  64           HD2      ARG  64 -11.497   1.863   6.275
   47    HE   ARG  64           HE       ARG  64 -10.881  -0.453   4.710
   48   HH11  ARG  64          HH21      ARG  64 -10.502   1.043   7.805
   49   HH12  ARG  64          HH22      ARG  64 -10.326  -0.450   8.663
   50   HH21  ARG  64          HH11      ARG  64 -10.640  -2.424   5.835
   51   HH22  ARG  64          HH12      ARG  64 -10.405  -2.409   7.549
   52    H    ILE  65           HN       ILE  65 -12.276  -1.301   0.620
   53    HA   ILE  65           HA       ILE  65 -14.357   0.568  -0.311
   54    HB   ILE  65           HB       ILE  65 -12.232  -0.620  -2.076
   55   HG12  ILE  65          HG13      ILE  65 -12.352   2.121  -0.764
   56   HG13  ILE  65          HG12      ILE  65 -11.183   0.853  -0.396
   57   HG21  ILE  65          HG21      ILE  65 -13.100   0.788  -3.746
   58   HG22  ILE  65          HG22      ILE  65 -13.851   1.880  -2.585
   59   HG23  ILE  65          HG23      ILE  65 -14.572   0.309  -2.906
   60   HD11  ILE  65          HD11      ILE  65 -11.363   2.630  -2.785
   61   HD12  ILE  65          HD12      ILE  65 -10.770   0.990  -3.041
   62   HD13  ILE  65          HD13      ILE  65  -9.943   2.062  -1.911
   63    H    LEU  66           HN       LEU  66 -12.897  -2.528  -1.438
   64    HA   LEU  66           HA       LEU  66 -15.623  -3.375  -2.166
   65    HB2  LEU  66           HB3      LEU  66 -13.755  -5.346  -3.073
   66    HB3  LEU  66           HB2      LEU  66 -14.707  -4.230  -4.027
   67    HG   LEU  66           HG       LEU  66 -12.072  -3.393  -2.790
   68   HD11  LEU  66          HD11      LEU  66 -12.648  -4.670  -5.471
   69   HD12  LEU  66          HD12      LEU  66 -11.536  -5.245  -4.229
   70   HD13  LEU  66          HD13      LEU  66 -11.173  -3.769  -5.123
   71   HD21  LEU  66          HD21      LEU  66 -13.419  -2.327  -5.272
   72   HD22  LEU  66          HD22      LEU  66 -12.238  -1.535  -4.228
   73   HD23  LEU  66          HD23      LEU  66 -13.896  -1.752  -3.680
   74    HA   PRO  67           HA       PRO  67 -14.546  -7.106   0.441
   75    HB2  PRO  67           HB3      PRO  67 -12.160  -7.452   1.665
   76    HB3  PRO  67           HB2      PRO  67 -12.403  -7.875  -0.044
   77    HG2  PRO  67           HG3      PRO  67 -11.178  -5.431   1.128
   78    HG3  PRO  67           HG2      PRO  67 -10.612  -6.414  -0.227
   79    HD2  PRO  67           HD3      PRO  67 -11.997  -4.068  -0.568
   80    HD3  PRO  67           HD2      PRO  67 -12.064  -5.417  -1.720
   81    H    GLN  68           HN       GLN  68 -13.907  -3.886   1.341
   82    HA   GLN  68           HA       GLN  68 -13.647  -4.056   4.125
   83    HB2  GLN  68           HB3      GLN  68 -14.324  -1.798   4.187
   84    HB3  GLN  68           HB2      GLN  68 -13.610  -1.980   2.598
   85    HG2  GLN  68           HG3      GLN  68 -15.785  -2.127   1.547
   86    HG3  GLN  68           HG2      GLN  68 -16.599  -2.172   3.108
   87   HE21  GLN  68          HE21      GLN  68 -16.090  -0.202   4.571
   88   HE22  GLN  68          HE22      GLN  68 -16.024   1.314   3.777
   89    H    LEU  69           HN       LEU  69 -16.165  -4.729   1.972
   90    HA   LEU  69           HA       LEU  69 -18.455  -4.457   3.566
   91    HB2  LEU  69           HB3      LEU  69 -17.815  -6.405   1.330
   92    HB3  LEU  69           HB2      LEU  69 -19.424  -6.183   2.010
   93    HG   LEU  69           HG       LEU  69 -17.783  -3.947   0.779
   94   HD11  LEU  69          HD11      LEU  69 -19.971  -5.680  -0.405
   95   HD12  LEU  69          HD12      LEU  69 -18.298  -5.563  -0.951
   96   HD13  LEU  69          HD13      LEU  69 -19.387  -4.189  -1.140
   97   HD21  LEU  69          HD21      LEU  69 -20.581  -4.182   1.886
   98   HD22  LEU  69          HD22      LEU  69 -20.233  -3.002   0.625
   99   HD23  LEU  69          HD23      LEU  69 -19.383  -2.918   2.163
  100    H    VAL  70           HN       VAL  70 -16.133  -7.056   3.163
  101    HA   VAL  70           HA       VAL  70 -17.498  -8.637   5.227
  102    HB   VAL  70           HB       VAL  70 -15.841 -10.392   4.650
  103   HG11  VAL  70          HG11      VAL  70 -16.725 -10.722   2.266
  104   HG12  VAL  70          HG12      VAL  70 -17.547  -9.176   2.472
  105   HG13  VAL  70          HG13      VAL  70 -17.940 -10.531   3.529
  106   HG21  VAL  70          HG21      VAL  70 -14.323 -10.125   2.822
  107   HG22  VAL  70          HG22      VAL  70 -14.111  -8.687   3.818
  108   HG23  VAL  70          HG23      VAL  70 -15.064  -8.603   2.336
  109    H    CYS  71           HN       CYS  71 -16.298  -6.156   5.945
  110    HA   CYS  71           HA       CYS  71 -14.260  -7.142   7.857
  111    HB2  CYS  71           HB3      CYS  71 -13.172  -5.982   5.895
  112    HB3  CYS  71           HB2      CYS  71 -14.021  -4.515   6.382
  113    HG   CYS  71           HG       CYS  71 -12.503  -5.669   8.731
  114    H    ARG  72           HN       ARG  72 -16.453  -4.481   6.950
  115    HA   ARG  72           HA       ARG  72 -16.678  -3.758   9.808
  116    HB2  ARG  72           HB3      ARG  72 -16.966  -2.245   7.238
  117    HB3  ARG  72           HB2      ARG  72 -17.943  -1.723   8.607
  118    HG2  ARG  72           HG3      ARG  72 -15.968  -0.441   8.792
  119    HG3  ARG  72           HG2      ARG  72 -15.721  -1.735   9.957
  120    HD2  ARG  72           HD3      ARG  72 -13.691  -1.580   8.716
  121    HD3  ARG  72           HD2      ARG  72 -14.523  -3.000   8.093
  122    HE   ARG  72           HE       ARG  72 -14.861  -1.875   6.070
  123   HH11  ARG  72          HH21      ARG  72 -13.709   0.227   8.567
  124   HH12  ARG  72          HH22      ARG  72 -13.403   1.560   7.506
  125   HH21  ARG  72          HH11      ARG  72 -14.454  -0.112   4.663
  126   HH22  ARG  72          HH12      ARG  72 -13.824   1.367   5.300
  127    H    LEU  73           HN       LEU  73 -18.332  -5.443   7.346
  128    HA   LEU  73           HA       LEU  73 -20.945  -4.924   8.663
  129    HB2  LEU  73           HB3      LEU  73 -20.582  -6.315   6.025
  130    HB3  LEU  73           HB2      LEU  73 -22.030  -5.574   6.682
  131    HG   LEU  73           HG       LEU  73 -19.514  -4.097   5.848
  132   HD11  LEU  73          HD11      LEU  73 -20.826  -3.261   4.018
  133   HD12  LEU  73          HD12      LEU  73 -22.300  -3.989   4.662
  134   HD13  LEU  73          HD13      LEU  73 -21.013  -5.015   4.024
  135   HD21  LEU  73          HD21      LEU  73 -20.456  -2.868   7.656
  136   HD22  LEU  73          HD22      LEU  73 -22.107  -3.218   7.144
  137   HD23  LEU  73          HD23      LEU  73 -21.112  -2.097   6.213
  138    H    VAL  74           HN       VAL  74 -18.798  -7.525   7.554
  139    HA   VAL  74           HA       VAL  74 -20.563  -9.549   8.726
  140    HB   VAL  74           HB       VAL  74 -17.907  -9.828   7.305
  141   HG11  VAL  74          HG11      VAL  74 -18.276 -11.737   8.748
  142   HG12  VAL  74          HG12      VAL  74 -18.679 -12.225   7.104
  143   HG13  VAL  74          HG13      VAL  74 -19.963 -11.846   8.250
  144   HG21  VAL  74          HG21      VAL  74 -20.762 -10.280   6.376
  145   HG22  VAL  74          HG22      VAL  74 -19.312 -10.589   5.422
  146   HG23  VAL  74          HG23      VAL  74 -19.729  -8.938   5.884
  147    H    LEU  75           HN       LEU  75 -17.123  -8.617   9.102
  148    HA   LEU  75           HA       LEU  75 -16.700 -10.213  11.394
  149    HB2  LEU  75           HB3      LEU  75 -15.256  -7.831  10.261
  150    HB3  LEU  75           HB2      LEU  75 -14.738  -8.570  11.769
  151    HG   LEU  75           HG       LEU  75 -13.557  -9.412   9.685
  152   HD11  LEU  75          HD11      LEU  75 -15.038 -11.730  10.905
  153   HD12  LEU  75          HD12      LEU  75 -14.001 -10.740  11.930
  154   HD13  LEU  75          HD13      LEU  75 -13.326 -11.565  10.530
  155   HD21  LEU  75          HD21      LEU  75 -14.710 -10.811   8.136
  156   HD22  LEU  75          HD22      LEU  75 -15.717  -9.377   8.326
  157   HD23  LEU  75          HD23      LEU  75 -16.150 -10.871   9.153
  158    H    ARG  76           HN       ARG  76 -17.725  -6.864  10.989
  159    HA   ARG  76           HA       ARG  76 -17.606  -6.045  13.664
  160    HB2  ARG  76           HB3      ARG  76 -17.955  -4.503  11.770
  161    HB3  ARG  76           HB2      ARG  76 -19.565  -5.182  11.531
  162    HG2  ARG  76           HG3      ARG  76 -20.245  -4.456  13.763
  163    HG3  ARG  76           HG2      ARG  76 -18.615  -3.863  14.092
  164    HD2  ARG  76           HD3      ARG  76 -20.070  -2.006  13.427
  165    HD3  ARG  76           HD2      ARG  76 -18.828  -2.275  12.206
  166    HE   ARG  76           HE       ARG  76 -20.485  -2.995  10.728
  167   HH11  ARG  76          HH21      ARG  76 -21.696  -2.661  13.952
  168   HH12  ARG  76          HH22      ARG  76 -23.355  -2.856  13.497
  169   HH21  ARG  76          HH11      ARG  76 -22.661  -3.250  10.123
  170   HH22  ARG  76          HH12      ARG  76 -23.902  -3.189  11.329
  171    H    CYS  77           HN       CYS  77 -20.180  -7.630  11.827
  172    HA   CYS  77           HA       CYS  77 -22.138  -7.567  13.832
  173    HB2  CYS  77           HB3      CYS  77 -22.638  -8.108  11.489
  174    HB3  CYS  77           HB2      CYS  77 -21.735  -9.614  11.647
  175    HG   CYS  77           HG       CYS  77 -23.572 -10.603  13.072
  176    H    SER  78           HN       SER  78 -19.734 -10.062  13.030
  177    HA   SER  78           HA       SER  78 -20.577 -11.873  15.027
  178    HB2  SER  78           HB3      SER  78 -17.950 -11.613  13.574
  179    HB3  SER  78           HB2      SER  78 -18.363 -12.959  14.632
  180    HG   SER  78           HG       SER  78 -18.827 -13.083  12.239
  181    H    ILE  79           HN       ILE  79 -18.025  -9.396  15.062
  182    HA   ILE  79           HA       ILE  79 -17.384 -10.101  17.849
  183    HB   ILE  79           HB       ILE  79 -15.607  -9.671  16.065
  184   HG12  ILE  79          HG13      ILE  79 -15.459  -7.907  18.530
  185   HG13  ILE  79          HG12      ILE  79 -15.234  -9.656  18.570
  186   HG21  ILE  79          HG21      ILE  79 -15.145  -7.486  15.349
  187   HG22  ILE  79          HG22      ILE  79 -16.075  -6.752  16.654
  188   HG23  ILE  79          HG23      ILE  79 -16.905  -7.530  15.312
  189   HD11  ILE  79          HD11      ILE  79 -13.055  -8.564  18.421
  190   HD12  ILE  79          HD12      ILE  79 -13.572  -7.675  16.989
  191   HD13  ILE  79          HD13      ILE  79 -13.383  -9.428  16.920
  192    H    ASP  80           HN       ASP  80 -18.868  -7.564  15.964
  193    HA   ASP  80           HA       ASP  80 -19.706  -5.474  16.577
  194    HB2  ASP  80           HB3      ASP  80 -20.788  -6.863  19.013
  195    HB3  ASP  80           HB2      ASP  80 -21.565  -5.673  17.971
  Start of MODEL    4
    1    H1   ASP  59           HT1      ASP  59  -7.536  -1.585   4.408
    2    H2   ASP  59           HT2      ASP  59  -7.192  -0.746   5.844
    3    H3   ASP  59           HT3      ASP  59  -6.459  -0.274   4.386
    4    HA   ASP  59           HA       ASP  59  -9.366  -0.294   4.410
    5    HB2  ASP  59           HB3      ASP  59  -9.488   1.864   5.544
    6    HB3  ASP  59           HB2      ASP  59  -8.813   0.648   6.629
    7    H    THR  60           HN       THR  60  -8.082  -0.584   2.171
    8    HA   THR  60           HA       THR  60  -8.564   1.772   0.725
    9    HB   THR  60           HB       THR  60  -6.645   2.814   1.566
   10    HG1  THR  60           HG1      THR  60  -6.668   2.602  -0.765
   11   HG21  THR  60          HG21      THR  60  -4.428   1.451   1.595
   12   HG22  THR  60          HG22      THR  60  -5.476   0.037   1.510
   13   HG23  THR  60          HG23      THR  60  -5.612   1.155   2.866
   14    H    LEU  61           HN       LEU  61  -9.492   0.626  -0.835
   15    HA   LEU  61           HA       LEU  61  -9.650  -0.571  -2.773
   16    HB2  LEU  61           HB3      LEU  61  -7.019   0.378  -2.775
   17    HB3  LEU  61           HB2      LEU  61  -6.821  -1.344  -3.068
   18    HG   LEU  61           HG       LEU  61  -8.704   0.453  -4.631
   19   HD11  LEU  61          HD11      LEU  61  -7.000   0.172  -6.453
   20   HD12  LEU  61          HD12      LEU  61  -5.921  -0.566  -5.269
   21   HD13  LEU  61          HD13      LEU  61  -6.414   1.117  -5.084
   22   HD21  LEU  61          HD21      LEU  61  -9.466  -1.812  -4.742
   23   HD22  LEU  61          HD22      LEU  61  -7.822  -2.433  -4.884
   24   HD23  LEU  61          HD23      LEU  61  -8.551  -1.551  -6.225
   25    H    LEU  62           HN       LEU  62  -8.505  -1.695   0.093
   26    HA   LEU  62           HA       LEU  62  -9.477  -4.342  -0.407
   27    HB2  LEU  62           HB3      LEU  62  -7.166  -5.241   0.619
   28    HB3  LEU  62           HB2      LEU  62  -7.387  -5.053  -1.118
   29    HG   LEU  62           HG       LEU  62  -6.375  -2.790  -0.987
   30   HD11  LEU  62          HD11      LEU  62  -6.873  -2.148   1.280
   31   HD12  LEU  62          HD12      LEU  62  -5.119  -2.269   1.155
   32   HD13  LEU  62          HD13      LEU  62  -6.039  -3.564   1.921
   33   HD21  LEU  62          HD21      LEU  62  -4.703  -5.005   0.226
   34   HD22  LEU  62          HD22      LEU  62  -4.072  -3.565  -0.573
   35   HD23  LEU  62          HD23      LEU  62  -4.986  -4.757  -1.497
   36    H    GLY  63           HN       GLY  63 -10.547  -2.552   1.109
   37    HA2  GLY  63           HA3      GLY  63 -10.941  -3.583   3.594
   38    HA3  GLY  63           HA2      GLY  63  -9.568  -2.507   3.812
   39    H    ARG  64           HN       ARG  64 -11.137  -1.103   1.375
   40    HA   ARG  64           HA       ARG  64 -13.072   0.390   3.015
   41    HB2  ARG  64           HB3      ARG  64 -10.748   1.398   1.437
   42    HB3  ARG  64           HB2      ARG  64 -12.228   2.345   1.351
   43    HG2  ARG  64           HG3      ARG  64 -11.280   1.468   4.071
   44    HG3  ARG  64           HG2      ARG  64 -10.407   2.772   3.276
   45    HD2  ARG  64           HD3      ARG  64 -12.135   3.761   4.640
   46    HD3  ARG  64           HD2      ARG  64 -12.595   3.969   2.956
   47    HE   ARG  64           HE       ARG  64 -13.709   1.582   4.129
   48   HH11  ARG  64          HH21      ARG  64 -14.008   5.009   3.769
   49   HH12  ARG  64          HH22      ARG  64 -15.721   5.025   4.027
   50   HH21  ARG  64          HH11      ARG  64 -15.953   1.594   4.468
   51   HH22  ARG  64          HH12      ARG  64 -16.822   3.091   4.422
   52    H    ILE  65           HN       ILE  65 -12.633  -1.619   0.422
   53    HA   ILE  65           HA       ILE  65 -15.029  -0.555  -0.909
   54    HB   ILE  65           HB       ILE  65 -12.680  -1.674  -2.428
   55   HG12  ILE  65          HG13      ILE  65 -13.403   1.230  -1.880
   56   HG13  ILE  65          HG12      ILE  65 -11.994   0.391  -1.238
   57   HG21  ILE  65          HG21      ILE  65 -15.145  -1.545  -3.330
   58   HG22  ILE  65          HG22      ILE  65 -13.837  -0.945  -4.345
   59   HG23  ILE  65          HG23      ILE  65 -14.839   0.185  -3.435
   60   HD11  ILE  65          HD11      ILE  65 -10.992   1.319  -3.071
   61   HD12  ILE  65          HD12      ILE  65 -12.498   1.414  -3.980
   62   HD13  ILE  65          HD13      ILE  65 -11.632  -0.118  -3.868
   63    H    LEU  66           HN       LEU  66 -12.873  -3.415  -1.442
   64    HA   LEU  66           HA       LEU  66 -15.314  -5.009  -1.712
   65    HB2  LEU  66           HB3      LEU  66 -12.860  -6.586  -2.034
   66    HB3  LEU  66           HB2      LEU  66 -14.201  -6.353  -3.132
   67    HG   LEU  66           HG       LEU  66 -12.003  -4.297  -2.752
   68   HD11  LEU  66          HD11      LEU  66 -11.042  -6.309  -3.705
   69   HD12  LEU  66          HD12      LEU  66 -11.232  -5.106  -4.982
   70   HD13  LEU  66          HD13      LEU  66 -12.375  -6.441  -4.852
   71   HD21  LEU  66          HD21      LEU  66 -13.888  -4.547  -5.090
   72   HD22  LEU  66          HD22      LEU  66 -13.002  -3.133  -4.523
   73   HD23  LEU  66          HD23      LEU  66 -14.404  -3.708  -3.629
   74    HA   PRO  67           HA       PRO  67 -13.533  -7.514   1.884
   75    HB2  PRO  67           HB3      PRO  67 -11.225  -6.021   3.001
   76    HB3  PRO  67           HB2      PRO  67 -11.331  -7.732   2.540
   77    HG2  PRO  67           HG3      PRO  67  -9.885  -6.030   1.108
   78    HG3  PRO  67           HG2      PRO  67 -10.837  -7.299   0.318
   79    HD2  PRO  67           HD3      PRO  67 -11.587  -4.391   0.705
   80    HD3  PRO  67           HD2      PRO  67 -11.616  -5.353  -0.779
   81    H    GLN  68           HN       GLN  68 -13.723  -4.145   1.730
   82    HA   GLN  68           HA       GLN  68 -13.986  -3.313   4.361
   83    HB2  GLN  68           HB3      GLN  68 -13.833  -1.755   2.592
   84    HB3  GLN  68           HB2      GLN  68 -15.261  -2.374   1.799
   85    HG2  GLN  68           HG3      GLN  68 -15.542  -1.384   4.622
   86    HG3  GLN  68           HG2      GLN  68 -15.373  -0.181   3.345
   87   HE21  GLN  68          HE21      GLN  68 -17.644  -1.926   5.040
   88   HE22  GLN  68          HE22      GLN  68 -18.919  -1.895   3.899
   89    H    LEU  69           HN       LEU  69 -16.377  -4.453   2.055
   90    HA   LEU  69           HA       LEU  69 -18.655  -4.121   3.648
   91    HB2  LEU  69           HB3      LEU  69 -18.076  -6.030   1.370
   92    HB3  LEU  69           HB2      LEU  69 -19.676  -5.804   2.072
   93    HG   LEU  69           HG       LEU  69 -18.000  -3.576   0.875
   94   HD11  LEU  69          HD11      LEU  69 -20.207  -5.289  -0.281
   95   HD12  LEU  69          HD12      LEU  69 -18.593  -5.011  -0.933
   96   HD13  LEU  69          HD13      LEU  69 -19.788  -3.714  -0.953
   97   HD21  LEU  69          HD21      LEU  69 -19.491  -2.477   2.286
   98   HD22  LEU  69          HD22      LEU  69 -20.721  -3.731   2.152
   99   HD23  LEU  69          HD23      LEU  69 -20.477  -2.589   0.833
  100    H    VAL  70           HN       VAL  70 -16.412  -6.800   3.264
  101    HA   VAL  70           HA       VAL  70 -17.902  -8.336   5.280
  102    HB   VAL  70           HB       VAL  70 -16.329 -10.177   4.651
  103   HG11  VAL  70          HG11      VAL  70 -18.507 -10.200   3.669
  104   HG12  VAL  70          HG12      VAL  70 -17.381 -10.456   2.336
  105   HG13  VAL  70          HG13      VAL  70 -18.108  -8.868   2.586
  106   HG21  VAL  70          HG21      VAL  70 -15.631  -8.433   2.285
  107   HG22  VAL  70          HG22      VAL  70 -14.879  -9.948   2.785
  108   HG23  VAL  70          HG23      VAL  70 -14.613  -8.479   3.725
  109    H    CYS  71           HN       CYS  71 -16.287  -5.945   5.976
  110    HA   CYS  71           HA       CYS  71 -14.467  -7.290   7.900
  111    HB2  CYS  71           HB3      CYS  71 -13.035  -6.353   6.186
  112    HB3  CYS  71           HB2      CYS  71 -13.861  -4.797   6.292
  113    HG   CYS  71           HG       CYS  71 -12.083  -5.983   8.581
  114    H    ARG  72           HN       ARG  72 -16.254  -4.318   7.087
  115    HA   ARG  72           HA       ARG  72 -16.348  -3.641   9.957
  116    HB2  ARG  72           HB3      ARG  72 -16.604  -2.066   7.414
  117    HB3  ARG  72           HB2      ARG  72 -17.424  -1.465   8.852
  118    HG2  ARG  72           HG3      ARG  72 -15.300  -0.422   8.898
  119    HG3  ARG  72           HG2      ARG  72 -15.148  -1.738  10.055
  120    HD2  ARG  72           HD3      ARG  72 -13.183  -1.779   8.675
  121    HD3  ARG  72           HD2      ARG  72 -14.182  -3.139   8.180
  122    HE   ARG  72           HE       ARG  72 -14.524  -2.096   6.122
  123   HH11  ARG  72          HH21      ARG  72 -13.151   0.051   8.464
  124   HH12  ARG  72          HH22      ARG  72 -12.801   1.309   7.324
  125   HH21  ARG  72          HH11      ARG  72 -14.051  -0.434   4.607
  126   HH22  ARG  72          HH12      ARG  72 -13.311   1.032   5.151
  127    H    LEU  73           HN       LEU  73 -18.255  -5.118   7.543
  128    HA   LEU  73           HA       LEU  73 -20.743  -4.405   9.001
  129    HB2  LEU  73           HB3      LEU  73 -20.663  -5.690   6.290
  130    HB3  LEU  73           HB2      LEU  73 -21.985  -4.833   7.058
  131    HG   LEU  73           HG       LEU  73 -19.373  -3.581   6.156
  132   HD11  LEU  73          HD11      LEU  73 -20.619  -2.603   4.378
  133   HD12  LEU  73          HD12      LEU  73 -22.159  -3.087   5.089
  134   HD13  LEU  73          HD13      LEU  73 -21.089  -4.304   4.391
  135   HD21  LEU  73          HD21      LEU  73 -20.138  -2.350   8.052
  136   HD22  LEU  73          HD22      LEU  73 -21.827  -2.503   7.568
  137   HD23  LEU  73          HD23      LEU  73 -20.740  -1.453   6.659
  138    H    VAL  74           HN       VAL  74 -18.702  -7.073   7.992
  139    HA   VAL  74           HA       VAL  74 -20.643  -9.007   9.122
  140    HB   VAL  74           HB       VAL  74 -18.254  -9.443   7.318
  141   HG11  VAL  74          HG11      VAL  74 -20.272 -11.316   8.570
  142   HG12  VAL  74          HG12      VAL  74 -18.512 -11.398   8.663
  143   HG13  VAL  74          HG13      VAL  74 -19.333 -11.755   7.142
  144   HG21  VAL  74          HG21      VAL  74 -20.171  -8.347   6.211
  145   HG22  VAL  74          HG22      VAL  74 -21.243  -9.609   6.815
  146   HG23  VAL  74          HG23      VAL  74 -19.984 -10.006   5.644
  147    H    LEU  75           HN       LEU  75 -17.088  -8.584   8.979
  148    HA   LEU  75           HA       LEU  75 -16.547 -10.316  11.123
  149    HB2  LEU  75           HB3      LEU  75 -14.842  -9.636   9.495
  150    HB3  LEU  75           HB2      LEU  75 -14.917  -7.984  10.094
  151    HG   LEU  75           HG       LEU  75 -14.159  -8.762  12.325
  152   HD11  LEU  75          HD11      LEU  75 -14.298 -11.439  10.942
  153   HD12  LEU  75          HD12      LEU  75 -14.864 -10.989  12.551
  154   HD13  LEU  75          HD13      LEU  75 -13.141 -11.183  12.248
  155   HD21  LEU  75          HD21      LEU  75 -11.861  -9.131  11.703
  156   HD22  LEU  75          HD22      LEU  75 -12.563  -8.071  10.480
  157   HD23  LEU  75          HD23      LEU  75 -12.332  -9.785  10.133
  158    H    ARG  76           HN       ARG  76 -16.976  -6.803  11.019
  159    HA   ARG  76           HA       ARG  76 -16.584  -6.508  13.869
  160    HB2  ARG  76           HB3      ARG  76 -16.063  -4.813  11.945
  161    HB3  ARG  76           HB2      ARG  76 -17.765  -4.393  12.082
  162    HG2  ARG  76           HG3      ARG  76 -16.777  -2.879  13.573
  163    HG3  ARG  76           HG2      ARG  76 -17.241  -4.192  14.652
  164    HD2  ARG  76           HD3      ARG  76 -14.912  -3.389  15.051
  165    HD3  ARG  76           HD2      ARG  76 -14.968  -5.088  14.607
  166    HE   ARG  76           HE       ARG  76 -13.904  -4.561  12.596
  167   HH11  ARG  76          HH21      ARG  76 -14.959  -1.726  14.279
  168   HH12  ARG  76          HH22      ARG  76 -14.098  -0.628  13.253
  169   HH21  ARG  76          HH11      ARG  76 -12.774  -3.125  11.244
  170   HH22  ARG  76          HH12      ARG  76 -12.862  -1.419  11.535
  171    H    CYS  77           HN       CYS  77 -18.991  -7.888  12.278
  172    HA   CYS  77           HA       CYS  77 -21.126  -6.746  14.002
  173    HB2  CYS  77           HB3      CYS  77 -21.598  -6.388  11.641
  174    HB3  CYS  77           HB2      CYS  77 -21.354  -8.103  11.309
  175    HG   CYS  77           HG       CYS  77 -23.424  -8.299  13.234
  176    H    SER  78           HN       SER  78 -20.061  -9.760  12.435
  177    HA   SER  78           HA       SER  78 -21.737 -11.480  13.883
  178    HB2  SER  78           HB3      SER  78 -20.584 -12.184  11.846
  179    HB3  SER  78           HB2      SER  78 -19.029 -12.035  12.657
  180    HG   SER  78           HG       SER  78 -21.055 -13.935  12.957
  181    H    ILE  79           HN       ILE  79 -18.406 -10.421  14.535
  182    HA   ILE  79           HA       ILE  79 -18.651 -11.576  17.267
  183    HB   ILE  79           HB       ILE  79 -16.201 -11.806  17.246
  184   HG12  ILE  79          HG13      ILE  79 -16.398 -11.037  14.317
  185   HG13  ILE  79          HG12      ILE  79 -15.791  -9.960  15.573
  186   HG21  ILE  79          HG21      ILE  79 -16.116 -13.711  15.736
  187   HG22  ILE  79          HG22      ILE  79 -17.495 -13.097  14.827
  188   HG23  ILE  79          HG23      ILE  79 -17.709 -13.653  16.486
  189   HD11  ILE  79          HD11      ILE  79 -13.847 -10.967  14.659
  190   HD12  ILE  79          HD12      ILE  79 -14.597 -12.563  14.616
  191   HD13  ILE  79          HD13      ILE  79 -14.139 -11.844  16.161
  192    H    ASP  80           HN       ASP  80 -18.455  -8.712  15.502
  193    HA   ASP  80           HA       ASP  80 -17.917  -6.535  16.068
  194    HB2  ASP  80           HB3      ASP  80 -18.804  -7.517  18.788
  195    HB3  ASP  80           HB2      ASP  80 -18.743  -5.836  18.260
  Start of MODEL    5
    1    H1   ASP  59           HT1      ASP  59  -5.336  -1.901   4.210
    2    H2   ASP  59           HT2      ASP  59  -5.373  -3.479   4.835
    3    H3   ASP  59           HT3      ASP  59  -5.041  -2.164   5.859
    4    HA   ASP  59           HA       ASP  59  -7.536  -3.287   5.179
    5    HB2  ASP  59           HB3      ASP  59  -6.579  -1.035   6.956
    6    HB3  ASP  59           HB2      ASP  59  -8.263  -1.553   6.894
    7    H    THR  60           HN       THR  60  -5.864  -0.981   3.521
    8    HA   THR  60           HA       THR  60  -8.307   0.469   2.689
    9    HB   THR  60           HB       THR  60  -6.816   2.298   2.023
   10    HG1  THR  60           HG1      THR  60  -4.725   2.044   2.028
   11   HG21  THR  60          HG21      THR  60  -6.135   1.472   4.847
   12   HG22  THR  60          HG22      THR  60  -7.742   2.038   4.393
   13   HG23  THR  60          HG23      THR  60  -6.347   3.104   4.214
   14    H    LEU  61           HN       LEU  61  -8.741   0.683   0.579
   15    HA   LEU  61           HA       LEU  61  -8.760   0.260  -1.668
   16    HB2  LEU  61           HB3      LEU  61  -5.865  -0.583  -1.445
   17    HB3  LEU  61           HB2      LEU  61  -6.717  -0.024  -2.879
   18    HG   LEU  61           HG       LEU  61  -6.107   1.628  -0.411
   19   HD11  LEU  61          HD11      LEU  61  -5.095   1.866  -3.258
   20   HD12  LEU  61          HD12      LEU  61  -4.177   1.174  -1.920
   21   HD13  LEU  61          HD13      LEU  61  -4.629   2.879  -1.892
   22   HD21  LEU  61          HD21      LEU  61  -6.974   3.481  -2.031
   23   HD22  LEU  61          HD22      LEU  61  -8.154   2.478  -1.195
   24   HD23  LEU  61          HD23      LEU  61  -7.760   2.151  -2.883
   25    H    LEU  62           HN       LEU  62  -8.310  -1.876   0.714
   26    HA   LEU  62           HA       LEU  62  -9.477  -4.040  -0.705
   27    HB2  LEU  62           HB3      LEU  62  -7.488  -5.628   0.062
   28    HB3  LEU  62           HB2      LEU  62  -7.432  -4.815  -1.496
   29    HG   LEU  62           HG       LEU  62  -6.141  -2.950  -0.355
   30   HD11  LEU  62          HD11      LEU  62  -6.664  -3.336   1.960
   31   HD12  LEU  62          HD12      LEU  62  -4.951  -3.692   1.753
   32   HD13  LEU  62          HD13      LEU  62  -6.115  -5.011   1.859
   33   HD21  LEU  62          HD21      LEU  62  -4.029  -4.238  -0.369
   34   HD22  LEU  62          HD22      LEU  62  -5.053  -4.644  -1.747
   35   HD23  LEU  62          HD23      LEU  62  -4.963  -5.735  -0.366
   36    H    GLY  63           HN       GLY  63 -10.656  -2.940   1.113
   37    HA2  GLY  63           HA3      GLY  63 -11.412  -4.503   3.135
   38    HA3  GLY  63           HA2      GLY  63  -9.945  -3.800   3.806
   39    H    ARG  64           HN       ARG  64 -10.996  -1.493   1.819
   40    HA   ARG  64           HA       ARG  64 -12.793  -0.222   3.768
   41    HB2  ARG  64           HB3      ARG  64 -10.351   0.597   3.703
   42    HB3  ARG  64           HB2      ARG  64 -10.755   1.280   2.137
   43    HG2  ARG  64           HG3      ARG  64 -11.044   3.011   3.771
   44    HG3  ARG  64           HG2      ARG  64 -12.653   2.511   3.262
   45    HD2  ARG  64           HD3      ARG  64 -12.246   2.833   5.787
   46    HD3  ARG  64           HD2      ARG  64 -13.055   1.356   5.303
   47    HE   ARG  64           HE       ARG  64 -11.155   0.152   5.970
   48   HH11  ARG  64          HH21      ARG  64 -10.563   3.561   5.862
   49   HH12  ARG  64          HH22      ARG  64  -9.031   3.461   6.667
   50   HH21  ARG  64          HH11      ARG  64  -9.151   0.014   7.028
   51   HH22  ARG  64          HH12      ARG  64  -8.232   1.452   7.325
   52    H    ILE  65           HN       ILE  65 -12.399  -1.364   0.636
   53    HA   ILE  65           HA       ILE  65 -14.532   0.419  -0.355
   54    HB   ILE  65           HB       ILE  65 -12.434  -0.851  -2.106
   55   HG12  ILE  65          HG13      ILE  65 -12.506   1.975  -0.991
   56   HG13  ILE  65          HG12      ILE  65 -11.373   0.720  -0.485
   57   HG21  ILE  65          HG21      ILE  65 -13.278   0.636  -3.773
   58   HG22  ILE  65          HG22      ILE  65 -14.168   1.586  -2.585
   59   HG23  ILE  65          HG23      ILE  65 -14.709  -0.035  -2.997
   60   HD11  ILE  65          HD11      ILE  65 -10.230   2.019  -2.137
   61   HD12  ILE  65          HD12      ILE  65 -11.621   1.990  -3.217
   62   HD13  ILE  65          HD13      ILE  65 -10.700   0.515  -2.927
   63    H    LEU  66           HN       LEU  66 -13.045  -2.730  -1.324
   64    HA   LEU  66           HA       LEU  66 -15.786  -3.675  -1.902
   65    HB2  LEU  66           HB3      LEU  66 -13.611  -5.472  -2.796
   66    HB3  LEU  66           HB2      LEU  66 -15.005  -4.865  -3.666
   67    HG   LEU  66           HG       LEU  66 -12.555  -3.166  -3.108
   68   HD11  LEU  66          HD11      LEU  66 -11.806  -4.936  -4.516
   69   HD12  LEU  66          HD12      LEU  66 -12.134  -3.568  -5.580
   70   HD13  LEU  66          HD13      LEU  66 -13.289  -4.896  -5.471
   71   HD21  LEU  66          HD21      LEU  66 -14.962  -2.222  -3.645
   72   HD22  LEU  66          HD22      LEU  66 -14.594  -2.751  -5.283
   73   HD23  LEU  66          HD23      LEU  66 -13.557  -1.570  -4.485
   74    HA   PRO  67           HA       PRO  67 -14.223  -7.222   0.795
   75    HB2  PRO  67           HB3      PRO  67 -11.638  -6.513   2.008
   76    HB3  PRO  67           HB2      PRO  67 -12.044  -7.918   1.010
   77    HG2  PRO  67           HG3      PRO  67 -10.432  -5.952   0.129
   78    HG3  PRO  67           HG2      PRO  67 -11.512  -6.847  -0.955
   79    HD2  PRO  67           HD3      PRO  67 -11.960  -4.135   0.299
   80    HD3  PRO  67           HD2      PRO  67 -12.182  -4.631  -1.382
   81    H    GLN  68           HN       GLN  68 -13.932  -3.905   1.600
   82    HA   GLN  68           HA       GLN  68 -13.838  -3.964   4.388
   83    HB2  GLN  68           HB3      GLN  68 -14.492  -1.732   4.277
   84    HB3  GLN  68           HB2      GLN  68 -13.939  -2.001   2.641
   85    HG2  GLN  68           HG3      GLN  68 -16.276  -2.433   1.921
   86    HG3  GLN  68           HG2      GLN  68 -16.825  -2.079   3.560
   87   HE21  GLN  68          HE21      GLN  68 -16.123   0.149   4.422
   88   HE22  GLN  68          HE22      GLN  68 -16.127   1.441   3.295
   89    H    LEU  69           HN       LEU  69 -16.198  -4.898   2.141
   90    HA   LEU  69           HA       LEU  69 -18.580  -4.749   3.615
   91    HB2  LEU  69           HB3      LEU  69 -17.696  -6.662   1.439
   92    HB3  LEU  69           HB2      LEU  69 -19.346  -6.564   2.050
   93    HG   LEU  69           HG       LEU  69 -17.824  -4.224   0.863
   94   HD11  LEU  69          HD11      LEU  69 -18.169  -5.800  -0.905
   95   HD12  LEU  69          HD12      LEU  69 -19.439  -4.588  -1.071
   96   HD13  LEU  69          HD13      LEU  69 -19.807  -6.158  -0.356
   97   HD21  LEU  69          HD21      LEU  69 -19.497  -3.237   2.149
   98   HD22  LEU  69          HD22      LEU  69 -20.591  -4.609   1.985
   99   HD23  LEU  69          HD23      LEU  69 -20.376  -3.487   0.644
  100    H    VAL  70           HN       VAL  70 -16.061  -7.190   3.404
  101    HA   VAL  70           HA       VAL  70 -17.484  -8.857   5.352
  102    HB   VAL  70           HB       VAL  70 -15.658 -10.480   4.947
  103   HG11  VAL  70          HG11      VAL  70 -17.698 -10.679   3.662
  104   HG12  VAL  70          HG12      VAL  70 -16.343 -10.967   2.570
  105   HG13  VAL  70          HG13      VAL  70 -17.176  -9.412   2.553
  106   HG21  VAL  70          HG21      VAL  70 -14.011  -8.628   4.243
  107   HG22  VAL  70          HG22      VAL  70 -14.820  -8.667   2.676
  108   HG23  VAL  70          HG23      VAL  70 -13.998 -10.104   3.280
  109    H    CYS  71           HN       CYS  71 -16.354  -6.263   6.074
  110    HA   CYS  71           HA       CYS  71 -14.639  -7.211   8.288
  111    HB2  CYS  71           HB3      CYS  71 -14.179  -4.711   6.647
  112    HB3  CYS  71           HB2      CYS  71 -13.280  -5.169   8.093
  113    HG   CYS  71           HG       CYS  71 -12.888  -6.359   5.302
  114    H    ARG  72           HN       ARG  72 -16.199  -4.274   7.046
  115    HA   ARG  72           HA       ARG  72 -16.942  -3.347   9.652
  116    HB2  ARG  72           HB3      ARG  72 -17.707  -2.491   6.868
  117    HB3  ARG  72           HB2      ARG  72 -18.334  -1.705   8.303
  118    HG2  ARG  72           HG3      ARG  72 -16.482  -0.382   8.330
  119    HG3  ARG  72           HG2      ARG  72 -15.534  -1.798   8.750
  120    HD2  ARG  72           HD3      ARG  72 -16.153  -1.389   5.848
  121    HD3  ARG  72           HD2      ARG  72 -14.981  -0.314   6.592
  122    HE   ARG  72           HE       ARG  72 -14.601  -3.099   6.002
  123   HH11  ARG  72          HH21      ARG  72 -13.776  -0.475   8.099
  124   HH12  ARG  72          HH22      ARG  72 -12.220  -1.113   8.515
  125   HH21  ARG  72          HH11      ARG  72 -12.555  -3.940   6.538
  126   HH22  ARG  72          HH12      ARG  72 -11.530  -3.073   7.633
  127    H    LEU  73           HN       LEU  73 -18.478  -5.365   7.206
  128    HA   LEU  73           HA       LEU  73 -21.035  -5.191   8.699
  129    HB2  LEU  73           HB3      LEU  73 -20.670  -6.505   6.019
  130    HB3  LEU  73           HB2      LEU  73 -22.147  -5.920   6.764
  131    HG   LEU  73           HG       LEU  73 -19.839  -4.188   5.824
  132   HD11  LEU  73          HD11      LEU  73 -21.389  -5.268   4.090
  133   HD12  LEU  73          HD12      LEU  73 -21.262  -3.509   4.043
  134   HD13  LEU  73          HD13      LEU  73 -22.674  -4.273   4.774
  135   HD21  LEU  73          HD21      LEU  73 -20.811  -3.086   7.699
  136   HD22  LEU  73          HD22      LEU  73 -22.441  -3.590   7.255
  137   HD23  LEU  73          HD23      LEU  73 -21.606  -2.363   6.302
  138    H    VAL  74           HN       VAL  74 -18.318  -7.169   8.404
  139    HA   VAL  74           HA       VAL  74 -19.888  -9.542   9.314
  140    HB   VAL  74           HB       VAL  74 -17.375  -9.432   7.643
  141   HG11  VAL  74          HG11      VAL  74 -17.662 -11.977   7.696
  142   HG12  VAL  74          HG12      VAL  74 -18.718 -11.727   9.087
  143   HG13  VAL  74          HG13      VAL  74 -17.025 -11.239   9.165
  144   HG21  VAL  74          HG21      VAL  74 -20.135 -10.606   7.181
  145   HG22  VAL  74          HG22      VAL  74 -18.792 -10.667   6.040
  146   HG23  VAL  74          HG23      VAL  74 -19.527  -9.119   6.456
  147    H    LEU  75           HN       LEU  75 -16.443  -8.538   9.404
  148    HA   LEU  75           HA       LEU  75 -15.938  -9.869  11.845
  149    HB2  LEU  75           HB3      LEU  75 -14.490  -7.549  10.554
  150    HB3  LEU  75           HB2      LEU  75 -13.883  -8.452  11.934
  151    HG   LEU  75           HG       LEU  75 -14.575  -9.696   9.255
  152   HD11  LEU  75          HD11      LEU  75 -11.831  -9.124  10.405
  153   HD12  LEU  75          HD12      LEU  75 -12.628  -8.081   9.228
  154   HD13  LEU  75          HD13      LEU  75 -12.210  -9.739   8.795
  155   HD21  LEU  75          HD21      LEU  75 -14.678 -11.469  10.775
  156   HD22  LEU  75          HD22      LEU  75 -13.497 -10.746  11.868
  157   HD23  LEU  75          HD23      LEU  75 -12.966 -11.498  10.365
  158    H    ARG  76           HN       ARG  76 -16.866  -6.564  11.089
  159    HA   ARG  76           HA       ARG  76 -16.694  -5.691  13.846
  160    HB2  ARG  76           HB3      ARG  76 -16.264  -4.225  11.837
  161    HB3  ARG  76           HB2      ARG  76 -17.998  -4.261  11.534
  162    HG2  ARG  76           HG3      ARG  76 -18.468  -3.226  13.661
  163    HG3  ARG  76           HG2      ARG  76 -16.784  -3.378  14.163
  164    HD2  ARG  76           HD3      ARG  76 -17.767  -1.727  11.820
  165    HD3  ARG  76           HD2      ARG  76 -17.299  -1.083  13.392
  166    HE   ARG  76           HE       ARG  76 -15.169  -2.633  12.410
  167   HH11  ARG  76          HH21      ARG  76 -16.916   0.273  11.715
  168   HH12  ARG  76          HH22      ARG  76 -15.578   1.059  10.948
  169   HH21  ARG  76          HH11      ARG  76 -13.409  -1.607  11.402
  170   HH22  ARG  76          HH12      ARG  76 -13.592  -0.004  10.770
  171    H    CYS  77           HN       CYS  77 -19.014  -7.339  11.990
  172    HA   CYS  77           HA       CYS  77 -21.230  -6.446  13.745
  173    HB2  CYS  77           HB3      CYS  77 -21.550  -6.193  11.294
  174    HB3  CYS  77           HB2      CYS  77 -21.385  -7.941  11.125
  175    HG   CYS  77           HG       CYS  77 -23.964  -6.978  11.498
  176    H    SER  78           HN       SER  78 -20.007  -9.435  12.215
  177    HA   SER  78           HA       SER  78 -21.640 -11.194  13.651
  178    HB2  SER  78           HB3      SER  78 -18.934 -11.647  12.398
  179    HB3  SER  78           HB2      SER  78 -19.963 -12.932  13.020
  180    HG   SER  78           HG       SER  78 -21.604 -12.108  11.577
  181    H    ILE  79           HN       ILE  79 -18.380  -9.993  14.439
  182    HA   ILE  79           HA       ILE  79 -18.650 -11.294  17.105
  183    HB   ILE  79           HB       ILE  79 -16.198 -11.382  17.175
  184   HG12  ILE  79          HG13      ILE  79 -16.306 -10.462  14.286
  185   HG13  ILE  79          HG12      ILE  79 -15.831  -9.421  15.627
  186   HG21  ILE  79          HG21      ILE  79 -15.926 -13.155  15.494
  187   HG22  ILE  79          HG22      ILE  79 -17.379 -12.603  14.663
  188   HG23  ILE  79          HG23      ILE  79 -17.496 -13.289  16.284
  189   HD11  ILE  79          HD11      ILE  79 -14.468 -11.996  14.795
  190   HD12  ILE  79          HD12      ILE  79 -14.026 -11.032  16.205
  191   HD13  ILE  79          HD13      ILE  79 -13.834 -10.364  14.585
  192    H    ASP  80           HN       ASP  80 -18.603  -8.335  15.515
  193    HA   ASP  80           HA       ASP  80 -18.211  -6.162  16.216
  194    HB2  ASP  80           HB3      ASP  80 -19.341  -7.490  18.678
  195    HB3  ASP  80           HB2      ASP  80 -19.065  -5.752  18.571
  Start of MODEL    6
    1    H1   ASP  59           HT1      ASP  59  -4.497  -2.591   4.946
    2    H2   ASP  59           HT2      ASP  59  -4.540  -1.107   5.772
    3    H3   ASP  59           HT3      ASP  59  -4.861  -1.162   4.106
    4    HA   ASP  59           HA       ASP  59  -6.666  -2.912   5.199
    5    HB2  ASP  59           HB3      ASP  59  -6.297  -0.424   6.872
    6    HB3  ASP  59           HB2      ASP  59  -7.796  -1.352   6.845
    7    H    THR  60           HN       THR  60  -5.603  -0.450   3.345
    8    HA   THR  60           HA       THR  60  -8.334   0.397   2.550
    9    HB   THR  60           HB       THR  60  -7.308   2.460   1.715
   10    HG1  THR  60           HG1      THR  60  -5.263   2.063   1.256
   11   HG21  THR  60          HG21      THR  60  -8.101   2.213   4.108
   12   HG22  THR  60          HG22      THR  60  -6.909   3.487   3.849
   13   HG23  THR  60          HG23      THR  60  -6.417   1.949   4.560
   14    H    LEU  61           HN       LEU  61  -8.822   0.504   0.425
   15    HA   LEU  61           HA       LEU  61  -8.802  -0.005  -1.802
   16    HB2  LEU  61           HB3      LEU  61  -5.831  -0.528  -1.576
   17    HB3  LEU  61           HB2      LEU  61  -6.753  -0.193  -3.035
   18    HG   LEU  61           HG       LEU  61  -6.360   1.733  -0.727
   19   HD11  LEU  61          HD11      LEU  61  -5.091   3.021  -2.490
   20   HD12  LEU  61          HD12      LEU  61  -5.191   1.594  -3.518
   21   HD13  LEU  61          HD13      LEU  61  -4.315   1.519  -1.989
   22   HD21  LEU  61          HD21      LEU  61  -7.356   3.318  -2.559
   23   HD22  LEU  61          HD22      LEU  61  -8.457   2.295  -1.640
   24   HD23  LEU  61          HD23      LEU  61  -7.982   1.831  -3.274
   25    H    LEU  62           HN       LEU  62  -8.445  -1.916   0.652
   26    HA   LEU  62           HA       LEU  62  -9.342  -4.244  -0.616
   27    HB2  LEU  62           HB3      LEU  62  -7.306  -5.696   0.090
   28    HB3  LEU  62           HB2      LEU  62  -7.213  -4.803  -1.420
   29    HG   LEU  62           HG       LEU  62  -6.063  -2.934  -0.042
   30   HD11  LEU  62          HD11      LEU  62  -6.459  -3.570   2.211
   31   HD12  LEU  62          HD12      LEU  62  -4.767  -3.958   1.927
   32   HD13  LEU  62          HD13      LEU  62  -5.975  -5.240   1.912
   33   HD21  LEU  62          HD21      LEU  62  -4.710  -5.613  -0.432
   34   HD22  LEU  62          HD22      LEU  62  -3.875  -4.071  -0.242
   35   HD23  LEU  62          HD23      LEU  62  -4.890  -4.357  -1.655
   36    H    GLY  63           HN       GLY  63 -10.449  -2.944   1.256
   37    HA2  GLY  63           HA3      GLY  63 -11.166  -4.513   3.305
   38    HA3  GLY  63           HA2      GLY  63  -9.672  -3.819   3.924
   39    H    ARG  64           HN       ARG  64 -10.859  -1.535   1.935
   40    HA   ARG  64           HA       ARG  64 -12.637  -0.279   3.900
   41    HB2  ARG  64           HB3      ARG  64 -10.168   0.517   3.951
   42    HB3  ARG  64           HB2      ARG  64 -10.554   1.312   2.430
   43    HG2  ARG  64           HG3      ARG  64 -10.933   2.951   4.120
   44    HG3  ARG  64           HG2      ARG  64 -12.532   2.386   3.660
   45    HD2  ARG  64           HD3      ARG  64 -12.105   2.613   6.161
   46    HD3  ARG  64           HD2      ARG  64 -12.743   1.063   5.649
   47    HE   ARG  64           HE       ARG  64 -10.704   0.078   6.234
   48   HH11  ARG  64          HH21      ARG  64 -10.505   3.535   6.155
   49   HH12  ARG  64          HH22      ARG  64  -8.947   3.604   6.910
   50   HH21  ARG  64          HH11      ARG  64  -8.658   0.166   7.232
   51   HH22  ARG  64          HH12      ARG  64  -7.903   1.696   7.519
   52    H    ILE  65           HN       ILE  65 -12.267  -1.392   0.803
   53    HA   ILE  65           HA       ILE  65 -14.219   0.563  -0.238
   54    HB   ILE  65           HB       ILE  65 -12.196  -0.811  -1.986
   55   HG12  ILE  65          HG13      ILE  65 -10.902   0.408  -0.273
   56   HG13  ILE  65          HG12      ILE  65 -10.772   1.191  -1.839
   57   HG21  ILE  65          HG21      ILE  65 -12.766   0.875  -3.560
   58   HG22  ILE  65          HG22      ILE  65 -13.527   1.886  -2.336
   59   HG23  ILE  65          HG23      ILE  65 -14.303   0.397  -2.845
   60   HD11  ILE  65          HD11      ILE  65 -12.978   2.442  -0.606
   61   HD12  ILE  65          HD12      ILE  65 -11.366   3.108  -0.832
   62   HD13  ILE  65          HD13      ILE  65 -11.765   2.273   0.662
   63    H    LEU  66           HN       LEU  66 -12.892  -2.588  -1.353
   64    HA   LEU  66           HA       LEU  66 -15.651  -3.350  -2.051
   65    HB2  LEU  66           HB3      LEU  66 -13.724  -5.325  -2.966
   66    HB3  LEU  66           HB2      LEU  66 -14.824  -4.335  -3.898
   67    HG   LEU  66           HG       LEU  66 -12.180  -3.285  -2.858
   68   HD11  LEU  66          HD11      LEU  66 -11.475  -3.559  -5.271
   69   HD12  LEU  66          HD12      LEU  66 -12.899  -4.576  -5.495
   70   HD13  LEU  66          HD13      LEU  66 -11.634  -5.062  -4.366
   71   HD21  LEU  66          HD21      LEU  66 -14.218  -1.782  -3.558
   72   HD22  LEU  66          HD22      LEU  66 -13.798  -2.272  -5.196
   73   HD23  LEU  66          HD23      LEU  66 -12.622  -1.406  -4.204
   74    HA   PRO  67           HA       PRO  67 -14.576  -7.105   0.512
   75    HB2  PRO  67           HB3      PRO  67 -12.187  -7.488   1.706
   76    HB3  PRO  67           HB2      PRO  67 -12.442  -7.861  -0.012
   77    HG2  PRO  67           HG3      PRO  67 -11.154  -5.485   1.227
   78    HG3  PRO  67           HG2      PRO  67 -10.660  -6.403  -0.201
   79    HD2  PRO  67           HD3      PRO  67 -12.055  -4.006  -0.307
   80    HD3  PRO  67           HD2      PRO  67 -12.073  -5.229  -1.588
   81    H    GLN  68           HN       GLN  68 -13.987  -3.914   1.471
   82    HA   GLN  68           HA       GLN  68 -13.723  -4.207   4.270
   83    HB2  GLN  68           HB3      GLN  68 -14.111  -1.923   4.382
   84    HB3  GLN  68           HB2      GLN  68 -13.629  -2.085   2.703
   85    HG2  GLN  68           HG3      GLN  68 -16.044  -2.207   2.066
   86    HG3  GLN  68           HG2      GLN  68 -16.468  -1.888   3.746
   87   HE21  GLN  68          HE21      GLN  68 -15.442   0.186   4.690
   88   HE22  GLN  68          HE22      GLN  68 -15.342   1.531   3.630
   89    H    LEU  69           HN       LEU  69 -16.244  -4.644   2.049
   90    HA   LEU  69           HA       LEU  69 -18.543  -4.315   3.617
   91    HB2  LEU  69           HB3      LEU  69 -17.979  -6.157   1.278
   92    HB3  LEU  69           HB2      LEU  69 -19.584  -5.873   1.946
   93    HG   LEU  69           HG       LEU  69 -17.772  -3.687   0.881
   94   HD11  LEU  69          HD11      LEU  69 -19.164  -3.692  -1.110
   95   HD12  LEU  69          HD12      LEU  69 -20.189  -4.959  -0.436
   96   HD13  LEU  69          HD13      LEU  69 -18.516  -5.313  -0.868
   97   HD21  LEU  69          HD21      LEU  69 -20.189  -2.579   0.798
   98   HD22  LEU  69          HD22      LEU  69 -19.266  -2.585   2.294
   99   HD23  LEU  69          HD23      LEU  69 -20.549  -3.769   2.048
  100    H    VAL  70           HN       VAL  70 -16.363  -7.027   3.142
  101    HA   VAL  70           HA       VAL  70 -17.932  -8.666   4.991
  102    HB   VAL  70           HB       VAL  70 -16.307 -10.448   4.430
  103   HG11  VAL  70          HG11      VAL  70 -17.008 -10.601   1.985
  104   HG12  VAL  70          HG12      VAL  70 -17.744  -9.010   2.189
  105   HG13  VAL  70          HG13      VAL  70 -18.322 -10.379   3.141
  106   HG21  VAL  70          HG21      VAL  70 -14.628 -10.124   2.759
  107   HG22  VAL  70          HG22      VAL  70 -14.447  -8.771   3.872
  108   HG23  VAL  70          HG23      VAL  70 -15.264  -8.539   2.326
  109    H    CYS  71           HN       CYS  71 -16.520  -6.269   5.903
  110    HA   CYS  71           HA       CYS  71 -14.910  -7.567   8.012
  111    HB2  CYS  71           HB3      CYS  71 -14.112  -5.065   6.514
  112    HB3  CYS  71           HB2      CYS  71 -13.266  -5.744   7.901
  113    HG   CYS  71           HG       CYS  71 -12.915  -6.662   5.067
  114    H    ARG  72           HN       ARG  72 -16.282  -4.462   6.927
  115    HA   ARG  72           HA       ARG  72 -16.759  -3.599   9.645
  116    HB2  ARG  72           HB3      ARG  72 -17.492  -2.431   6.965
  117    HB3  ARG  72           HB2      ARG  72 -17.961  -1.693   8.485
  118    HG2  ARG  72           HG3      ARG  72 -15.963  -0.599   8.483
  119    HG3  ARG  72           HG2      ARG  72 -15.199  -2.142   8.830
  120    HD2  ARG  72           HD3      ARG  72 -15.792  -1.598   5.954
  121    HD3  ARG  72           HD2      ARG  72 -14.535  -0.624   6.696
  122    HE   ARG  72           HE       ARG  72 -14.359  -3.393   6.028
  123   HH11  ARG  72          HH21      ARG  72 -13.379  -0.961   8.283
  124   HH12  ARG  72          HH22      ARG  72 -11.895  -1.749   8.698
  125   HH21  ARG  72          HH11      ARG  72 -12.412  -4.433   6.567
  126   HH22  ARG  72          HH12      ARG  72 -11.347  -3.713   7.728
  127    H    LEU  73           HN       LEU  73 -18.514  -5.360   7.203
  128    HA   LEU  73           HA       LEU  73 -21.042  -4.931   8.700
  129    HB2  LEU  73           HB3      LEU  73 -20.839  -6.145   5.958
  130    HB3  LEU  73           HB2      LEU  73 -22.238  -5.433   6.742
  131    HG   LEU  73           HG       LEU  73 -19.752  -3.928   5.867
  132   HD11  LEU  73          HD11      LEU  73 -21.326  -4.712   4.054
  133   HD12  LEU  73          HD12      LEU  73 -21.161  -2.959   4.167
  134   HD13  LEU  73          HD13      LEU  73 -22.593  -3.754   4.822
  135   HD21  LEU  73          HD21      LEU  73 -21.301  -1.943   6.428
  136   HD22  LEU  73          HD22      LEU  73 -20.609  -2.811   7.794
  137   HD23  LEU  73          HD23      LEU  73 -22.281  -3.105   7.319
  138    H    VAL  74           HN       VAL  74 -18.666  -7.316   7.859
  139    HA   VAL  74           HA       VAL  74 -20.489  -9.484   8.772
  140    HB   VAL  74           HB       VAL  74 -17.943  -9.590   7.147
  141   HG11  VAL  74          HG11      VAL  74 -17.933 -11.554   8.518
  142   HG12  VAL  74          HG12      VAL  74 -18.610 -12.055   6.969
  143   HG13  VAL  74          HG13      VAL  74 -19.676 -11.766   8.345
  144   HG21  VAL  74          HG21      VAL  74 -19.446 -10.398   5.394
  145   HG22  VAL  74          HG22      VAL  74 -20.036  -8.846   5.994
  146   HG23  VAL  74          HG23      VAL  74 -20.812 -10.344   6.507
  147    H    LEU  75           HN       LEU  75 -16.952  -8.869   8.977
  148    HA   LEU  75           HA       LEU  75 -16.627 -10.497  11.258
  149    HB2  LEU  75           HB3      LEU  75 -14.929  -8.219  10.228
  150    HB3  LEU  75           HB2      LEU  75 -14.442  -9.301  11.526
  151    HG   LEU  75           HG       LEU  75 -15.209 -10.225   8.740
  152   HD11  LEU  75          HD11      LEU  75 -12.433 -10.040   9.938
  153   HD12  LEU  75          HD12      LEU  75 -13.112  -8.809   8.873
  154   HD13  LEU  75          HD13      LEU  75 -12.859 -10.450   8.277
  155   HD21  LEU  75          HD21      LEU  75 -14.283 -11.605  11.255
  156   HD22  LEU  75          HD22      LEU  75 -13.786 -12.263   9.697
  157   HD23  LEU  75          HD23      LEU  75 -15.495 -12.116  10.080
  158    H    ARG  76           HN       ARG  76 -17.203  -7.036  10.901
  159    HA   ARG  76           HA       ARG  76 -16.858  -6.300  13.585
  160    HB2  ARG  76           HB3      ARG  76 -16.993  -4.691  11.707
  161    HB3  ARG  76           HB2      ARG  76 -18.708  -5.065  11.539
  162    HG2  ARG  76           HG3      ARG  76 -19.111  -4.303  13.848
  163    HG3  ARG  76           HG2      ARG  76 -17.395  -3.943  14.033
  164    HD2  ARG  76           HD3      ARG  76 -19.205  -2.682  11.956
  165    HD3  ARG  76           HD2      ARG  76 -18.748  -1.922  13.479
  166    HE   ARG  76           HE       ARG  76 -17.067  -2.250  11.131
  167   HH11  ARG  76          HH21      ARG  76 -17.261  -1.698  14.544
  168   HH12  ARG  76          HH22      ARG  76 -15.713  -0.930  14.646
  169   HH21  ARG  76          HH11      ARG  76 -15.035  -1.243  11.260
  170   HH22  ARG  76          HH12      ARG  76 -14.452  -0.672  12.787
  171    H    CYS  77           HN       CYS  77 -19.731  -7.349  11.775
  172    HA   CYS  77           HA       CYS  77 -21.548  -7.038  13.914
  173    HB2  CYS  77           HB3      CYS  77 -21.609  -8.785  11.453
  174    HB3  CYS  77           HB2      CYS  77 -22.954  -8.672  12.589
  175    HG   CYS  77           HG       CYS  77 -22.873  -5.995  12.068
  176    H    SER  78           HN       SER  78 -19.604  -9.814  12.861
  177    HA   SER  78           HA       SER  78 -20.741 -11.632  14.726
  178    HB2  SER  78           HB3      SER  78 -18.878 -13.097  14.121
  179    HB3  SER  78           HB2      SER  78 -19.596 -12.370  12.686
  180    HG   SER  78           HG       SER  78 -17.815 -10.667  13.378
  181    H    ILE  79           HN       ILE  79 -17.816  -9.615  14.840
  182    HA   ILE  79           HA       ILE  79 -17.197 -10.629  17.526
  183    HB   ILE  79           HB       ILE  79 -15.428 -10.191  15.724
  184   HG12  ILE  79          HG13      ILE  79 -15.036  -8.725  18.352
  185   HG13  ILE  79          HG12      ILE  79 -14.995 -10.482  18.204
  186   HG21  ILE  79          HG21      ILE  79 -15.572  -7.320  16.636
  187   HG22  ILE  79          HG22      ILE  79 -16.526  -7.857  15.258
  188   HG23  ILE  79          HG23      ILE  79 -14.772  -7.998  15.219
  189   HD11  ILE  79          HD11      ILE  79 -13.197  -8.556  16.705
  190   HD12  ILE  79          HD12      ILE  79 -13.153 -10.314  16.579
  191   HD13  ILE  79          HD13      ILE  79 -12.719  -9.527  18.098
  192    H    ASP  80           HN       ASP  80 -18.422  -7.794  15.910
  193    HA   ASP  80           HA       ASP  80 -19.054  -5.702  16.720
  194    HB2  ASP  80           HB3      ASP  80 -20.997  -7.145  17.166
  195    HB3  ASP  80           HB2      ASP  80 -20.333  -7.553  18.748