*HEADER    PHOTOSYNTHESIS,MEMBRANE PROTEIN         02-NOV-06   2NRG              
*TITLE     SOLUTION STRUCTURE OF PUFX FROM RHODOBACTER SPHAEROIDES               
*TITLE    2 (MINIMISED AVERAGE)                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTRINSIC MEMBRANE PROTEIN PUFX;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: PUFX;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 PLYSS;                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET9A                                     
*KEYWDS    BENT TRANSMEMBRANE HELIX                                              
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    R.B.TUNNICLIFFE, E.C.RATCLIFFE, C.N.HUNTER, M.P.WILLIAMSON            
*REVDAT   1   26-DEC-06 2NRG    0                                                


!NOEs
assign ( resid   2 and name   ha ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name   ha ) ( resid   3 and name  hb+ )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   3 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name  hb+ ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name   hn ) ( resid   4 and name   hn )   5.0   3.2   0.0
assign ( resid   3 and name   hn ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   5 and name   hb ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   ha ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name   hb ) ( resid   6 and name hg2+ )   5.0   3.2   0.0
assign ( resid   6 and name   hb ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name hd1+ ) ( resid   6 and name hg1+ )   5.0   3.2   0.0
assign ( resid   6 and name hg1+ ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   6 and name hg2+ ) ( resid   6 and name   hn )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid  14 and name   ha )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid  14 and name hd2+ )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid  17 and name   hb )   5.0   3.2   0.0
assign ( resid   7 and name  hb+ ) ( resid  17 and name hg2+ )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name  hb+ )   5.0   3.2   0.0
assign ( resid   9 and name   ha ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name  hb+ ) ( resid   9 and name   hn )   5.0   3.2   0.0
assign ( resid   9 and name   hn ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name  hb+ )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name  hb+ ) ( resid  10 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name   ha ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  10 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name  hb+ )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name hd++ )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name   hg )   5.0   3.2   0.0
assign ( resid  11 and name   ha ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name  hb+ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name hd++ ) ( resid  11 and name   hn )   5.0   3.2   0.0
assign ( resid  11 and name   hg ) ( resid  11 and name   hn )   3.8   2.0   0.0
assign ( resid  12 and name   ha ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name  hb+ ) ( resid  12 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name   ha ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name  hb+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  12 and name   hn ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name   hb )   2.8   1.0   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name hg2+ )   3.8   2.0   0.0
assign ( resid  13 and name   ha ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   hb ) ( resid  13 and name hg2+ )   5.0   3.2   0.0
assign ( resid  13 and name hg2+ ) ( resid  13 and name   hn )   5.0   3.2   0.0
assign ( resid  13 and name   ha ) ( resid  14 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  14 and name  hb+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  14 and name hd2+ )   5.0   3.2   0.0
assign ( resid  14 and name   ha ) ( resid  15 and name  hd+ )   5.0   3.2   0.0
assign ( resid  14 and name  hb+ ) ( resid  15 and name  hd+ )   5.0   3.2   0.0
assign ( resid  14 and name hd2+ ) ( resid  17 and name hg2+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name  hb+ )   3.8   2.0   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name  hd+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  15 and name  hg+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name  hd+ )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  15 and name  hg+ )   3.8   2.0   0.0
assign ( resid  15 and name  hd+ ) ( resid  15 and name  hg+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  16 and name   ha )   5.0   3.2   0.0
assign ( resid  15 and name  hb+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name  hd+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name  hg+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  18 and name  hb+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  18 and name hd2+ )   5.0   3.2   0.0
assign ( resid  15 and name   ha ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name  hb+ )   3.8   2.0   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name  hd+ )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name  hg+ )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name  he+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name  hd+ )   3.8   2.0   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name  hg+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hd+ ) ( resid  16 and name  he+ )   2.8   1.0   0.0
assign ( resid  16 and name  hd+ ) ( resid  16 and name  hg+ )   2.8   1.0   0.0
assign ( resid  16 and name  hd+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  he+ ) ( resid  16 and name  hg+ )   5.0   3.2   0.0
assign ( resid  16 and name  hg+ ) ( resid  16 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  17 and name hg2+ )   5.0   3.2   0.0
assign ( resid  16 and name  hb+ ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name  hd+ ) ( resid  17 and name   ha )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   hn ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  19 and name hd++ )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  16 and name  he+ ) ( resid  19 and name hd++ )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  16 and name   ha ) ( resid  20 and name  hd+ )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name   hb )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name hg2+ )   3.8   2.0   0.0
assign ( resid  17 and name   ha ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hb ) ( resid  17 and name hg2+ )   2.8   1.0   0.0
assign ( resid  17 and name   hb ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name hg2+ ) ( resid  17 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hb ) ( resid  18 and name  hb+ )   5.0   3.2   0.0
assign ( resid  17 and name   hb ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name hg2+ ) ( resid  18 and name  hb+ )   5.0   3.2   0.0
assign ( resid  17 and name hg2+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  18 and name   ha )   5.0   3.2   0.0
assign ( resid  17 and name   hn ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  17 and name   ha ) ( resid  20 and name  hb+ )   5.0   3.2   0.0
assign ( resid  17 and name hg2+ ) ( resid  21 and name   hg )   3.8   2.0   0.0
assign ( resid  17 and name hg2+ ) ( resid  21 and name hd++ )   2.8   1.0   0.0
assign ( resid  17 and name hg2+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  18 and name  hb+ )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  18 and name hd2+ )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  18 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  21 and name   hg )   5.0   3.2   0.0
assign ( resid  18 and name   ha ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  18 and name  hb+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  18 and name   hn ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  19 and name hd++ ) ( resid  19 and name   hg )   2.8   1.0   0.0
assign ( resid  19 and name hd++ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hg ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name   hg )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name hd++ )   3.8   2.0   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name  hb+ ) ( resid  19 and name hd++ )   3.8   2.0   0.0
assign ( resid  19 and name  hb+ ) ( resid  19 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name hd++ ) ( resid  20 and name   he )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  20 and name   ha )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  19 and name  hb+ ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  19 and name hd++ ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name hd++ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   hg ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name   hg ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name   ha ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name hd++ ) ( resid  23 and name hg++ )   2.8   1.0   0.0
assign ( resid  19 and name   hg ) ( resid  23 and name hg++ )   2.8   1.0   0.0
assign ( resid  19 and name   ha ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  19 and name  hb+ ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  19 and name   hn ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name  hb+ )   3.8   2.0   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name  hd+ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name  hg+ )   3.8   2.0   0.0
assign ( resid  20 and name   ha ) ( resid  20 and name   hn )   3.8   2.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  20 and name  hd+ )   3.8   2.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  20 and name  hg+ )   3.8   2.0   0.0
assign ( resid  20 and name  hb+ ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name  hd+ ) ( resid  20 and name  hg+ )   2.8   1.0   0.0
assign ( resid  20 and name  hd+ ) ( resid  20 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name  hb+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name  hg+ ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  20 and name   hn ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   hn ) ( resid  21 and name hd++ )   5.0   3.2   0.0
assign ( resid  20 and name   hn ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  23 and name   hb )   3.8   2.0   0.0
assign ( resid  20 and name   ha ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  20 and name   he ) ( resid  23 and name   ha )   5.0   3.2   0.0
assign ( resid  20 and name   he ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  20 and name   ha ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  21 and name   hg ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name   hg )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name  hb+ )   3.8   2.0   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name hd++ )   3.8   2.0   0.0
assign ( resid  21 and name   ha ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name hd++ )   3.8   2.0   0.0
assign ( resid  21 and name  hb+ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name hd++ ) ( resid  21 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name hd++ ) ( resid  21 and name   hg )   2.8   1.0   0.0
assign ( resid  21 and name   ha ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name  hb+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name hd++ ) ( resid  22 and name   ha )   3.8   2.0   0.0
assign ( resid  21 and name hd++ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name   hn ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name hd++ ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  24 and name  hb+ )   2.8   1.0   0.0
assign ( resid  21 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name hd++ ) ( resid  24 and name  hb+ )   3.8   2.0   0.0
assign ( resid  21 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  21 and name   ha ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name  hd1 )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name  he1 )   5.0   3.2   0.0
assign ( resid  22 and name  hd1 ) ( resid  22 and name  he1 )   3.8   2.0   0.0
assign ( resid  22 and name  he1 ) ( resid  22 and name  hz2 )   5.0   3.2   0.0
assign ( resid  22 and name  hh2 ) ( resid  22 and name  hz2 )   2.8   1.0   0.0
assign ( resid  22 and name  hh2 ) ( resid  22 and name  hz3 )   2.8   1.0   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hz3 ) ( resid  23 and name hg++ )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  25 and name  hb+ )   3.8   2.0   0.0
assign ( resid  22 and name   ha ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  25 and name  hd+ )   5.0   3.2   0.0
assign ( resid  22 and name  hh2 ) ( resid  25 and name  he+ )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  25 and name  hb+ )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hd1 ) ( resid  26 and name he2+ )   5.0   3.2   0.0
assign ( resid  22 and name  he1 ) ( resid  26 and name he2+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name   hb )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name hg++ )   3.8   2.0   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hb ) ( resid  23 and name hg++ )   3.8   2.0   0.0
assign ( resid  23 and name   hb ) ( resid  23 and name   hn )   3.8   2.0   0.0
assign ( resid  23 and name hg++ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hb ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  24 and name   ha )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  25 and name  hd+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  26 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  26 and name  hg+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  26 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name hg++ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hb+ )   2.8   1.0   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name   hn )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hn )   2.8   1.0   0.0
assign ( resid  24 and name   ha ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  25 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  26 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name  hd+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name  hb+ ) ( resid  25 and name  hd+ )   5.0   3.2   0.0
assign ( resid  25 and name  hb+ ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name  hb+ ) ( resid  26 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name  hd+ ) ( resid  26 and name he2+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  26 and name   hn )   3.8   2.0   0.0
assign ( resid  25 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name  he+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name  hb+ ) ( resid  28 and name  he+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hg+ )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name  hg+ )   3.8   2.0   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name he2+ ) ( resid  26 and name  hg+ )   5.0   3.2   0.0
assign ( resid  26 and name  hg+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hg+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  29 and name  hb+ )   3.8   2.0   0.0
assign ( resid  26 and name   ha ) ( resid  29 and name  he+ )   5.0   3.2   0.0
assign ( resid  26 and name he2+ ) ( resid  29 and name  he+ )   5.0   3.2   0.0
assign ( resid  26 and name  hg+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  29 and name  hb+ )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hb+ )   3.8   2.0   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hg+ )   3.8   2.0   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name   hn )   3.8   2.0   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  he+ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  27 and name  hg+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name  hb+ )   3.8   2.0   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  he+ ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid  27 and name  hg+ ) ( resid  28 and name  hb+ )   3.8   2.0   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name  hb+ )   5.0   3.2   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   hn ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  31 and name  hb+ )   2.8   1.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name  hb+ )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name  hg+ )   3.8   2.0   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name  he+ )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name  hg+ )   3.8   2.0   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  he+ ) ( resid  28 and name  hg+ )   5.0   3.2   0.0
assign ( resid  28 and name  hg+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  he+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   hn ) ( resid  29 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name   hn ) ( resid  30 and name  ha+ )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  31 and name  hb+ )   2.8   1.0   0.0
assign ( resid  28 and name   hn ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hb+ )   3.8   2.0   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hd+ )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hg+ )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name   hn )   3.8   2.0   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name  hd+ )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name  he+ )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name  hg+ )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name   hn )   3.8   2.0   0.0
assign ( resid  29 and name  hd+ ) ( resid  29 and name  he+ )   3.8   2.0   0.0
assign ( resid  29 and name  hd+ ) ( resid  29 and name  hg+ )   3.8   2.0   0.0
assign ( resid  29 and name  he+ ) ( resid  29 and name  hg+ )   5.0   3.2   0.0
assign ( resid  29 and name  hg+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name  ha+ ) ( resid  30 and name   hn )   3.8   2.0   0.0
assign ( resid  30 and name  ha+ ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  31 and name   hn )   3.8   2.0   0.0
assign ( resid  30 and name   hn ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  33 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name  hb+ )   2.8   1.0   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name   hn )   2.8   1.0   0.0
assign ( resid  31 and name   ha ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  32 and name  ha+ )   3.8   2.0   0.0
assign ( resid  31 and name  hb+ ) ( resid  32 and name   hn )   3.8   2.0   0.0
assign ( resid  31 and name   hn ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  31 and name   ha ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  32 and name   hn )   3.8   2.0   0.0
assign ( resid  32 and name  ha+ ) ( resid  33 and name  hb+ )   5.0   3.2   0.0
assign ( resid  32 and name  ha+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  33 and name   hn )   3.8   2.0   0.0
assign ( resid  32 and name  ha+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name  hb+ )   3.8   2.0   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name   hn )   3.8   2.0   0.0
assign ( resid  33 and name  hb+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  hd1 ) ( resid  33 and name  he1 )   3.8   2.0   0.0
assign ( resid  33 and name  he1 ) ( resid  33 and name  hz2 )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  hb+ ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  33 and name  hb+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  36 and name  ha+ )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  33 and name  hd1 ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  33 and name  he1 ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hb+ )   2.8   1.0   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   3.8   2.0   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name   hn )   2.8   1.0   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  ha+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name   hn )   3.8   2.0   0.0
assign ( resid  34 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  37 and name   ha )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  37 and name   hb )   3.8   2.0   0.0
assign ( resid  34 and name   ha ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  37 and name   hb )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  37 and name   hb )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  ha+ ) ( resid  35 and name   hn )   3.8   2.0   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  ha+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  ha+ ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name  ha+ ) ( resid  36 and name   hn )   2.8   1.0   0.0
assign ( resid  36 and name  ha+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  37 and name   hb )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  37 and name hg++ )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name  ha+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name  ha+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hb )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name hg++ )   2.8   1.0   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hn )   3.8   2.0   0.0
assign ( resid  37 and name   hb ) ( resid  37 and name hg++ )   3.8   2.0   0.0
assign ( resid  37 and name   hb ) ( resid  37 and name   hn )   3.8   2.0   0.0
assign ( resid  37 and name hg++ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hb ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name hg++ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name hg++ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hd+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hb+ )   2.8   1.0   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name  hd+ )   3.8   2.0   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name   hn )   2.8   1.0   0.0
assign ( resid  38 and name  hd+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  38 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name hg2+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  38 and name  hd+ ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  38 and name  he+ ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  38 and name   hz ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hb+ )   2.8   1.0   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hd+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name  hd+ )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name  hd+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name  ha+ )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name   ha )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name   hg )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hd+ ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  42 and name   hg )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name  hd+ ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name  hd+ ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  43 and name   hg )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  40 and name  ha+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hb )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name hg2+ )   3.8   2.0   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name hg2+ )   2.8   1.0   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  42 and name   ha )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name  hb+ )   3.8   2.0   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name hd++ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name   hg )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  45 and name hd1+ )   5.0   3.2   0.0
assign ( resid  41 and name hg2+ ) ( resid  45 and name hd1+ )   2.8   1.0   0.0
assign ( resid  41 and name hg2+ ) ( resid  45 and name hg1+ )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name hd++ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hg )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name hd++ )   3.8   2.0   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   hg )   3.8   2.0   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name hd++ ) ( resid  42 and name   hg )   3.8   2.0   0.0
assign ( resid  42 and name hd++ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hg ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name  hb+ )   3.8   2.0   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name hd++ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hg ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name hg1+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name   hb )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name hd1+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name hg2+ )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  45 and name hg2+ )   5.0   3.2   0.0
assign ( resid  42 and name hd++ ) ( resid  45 and name   hb )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  45 and name hd1+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name hd++ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hg )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hn )   3.8   2.0   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name hd++ )   3.8   2.0   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hg )   3.8   2.0   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name hd++ ) ( resid  43 and name   hg )   2.8   1.0   0.0
assign ( resid  43 and name hd++ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hg ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name hd++ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hg ) ( resid  44 and name hd++ )   3.8   2.0   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name hd++ )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name   hn )   3.8   2.0   0.0
assign ( resid  43 and name   hn ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  43 and name   hg ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name  hb+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hg )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name hd++ )   2.8   1.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hn )   3.8   2.0   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name hd++ )   2.8   1.0   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name   hg )   2.8   1.0   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name   hn )   3.8   2.0   0.0
assign ( resid  44 and name hd++ ) ( resid  44 and name   hg )   2.8   1.0   0.0
assign ( resid  44 and name hd++ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hg ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hd++ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hg ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name  hb+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hd++ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name hd++ ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name hd++ ) ( resid  47 and name  hd+ )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  48 and name  hd+ )   5.0   3.2   0.0
assign ( resid  44 and name hd++ ) ( resid  48 and name  hd+ )   3.8   2.0   0.0
assign ( resid  44 and name hd++ ) ( resid  48 and name  he+ )   5.0   3.2   0.0
assign ( resid  44 and name   hg ) ( resid  48 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   hg ) ( resid  48 and name  hd+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name   hb )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name hd1+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name hg1+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name hg2+ )   3.8   2.0   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name   hn )   3.8   2.0   0.0
assign ( resid  45 and name   hb ) ( resid  45 and name hd1+ )   3.8   2.0   0.0
assign ( resid  45 and name   hb ) ( resid  45 and name hg1+ )   5.0   3.2   0.0
assign ( resid  45 and name   hb ) ( resid  45 and name hg2+ )   3.8   2.0   0.0
assign ( resid  45 and name   hb ) ( resid  45 and name   hn )   3.8   2.0   0.0
assign ( resid  45 and name hd1+ ) ( resid  45 and name hg1+ )   3.8   2.0   0.0
assign ( resid  45 and name hd1+ ) ( resid  45 and name hg2+ )   2.8   1.0   0.0
assign ( resid  45 and name hd1+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg1+ ) ( resid  45 and name hg2+ )   3.8   2.0   0.0
assign ( resid  45 and name hg1+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hb ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hd1+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name   hb ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  48 and name  hb+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg1+ ) ( resid  48 and name  hb+ )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  48 and name  hb+ )   3.8   2.0   0.0
assign ( resid  45 and name   hn ) ( resid  48 and name  hb+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  49 and name   ha )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  49 and name   he )   5.0   3.2   0.0
assign ( resid  45 and name hg2+ ) ( resid  49 and name  hg+ )   3.8   2.0   0.0
assign ( resid  46 and name  ha+ ) ( resid  46 and name   hn )   3.8   2.0   0.0
assign ( resid  46 and name  ha+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   ha )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  49 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hb+ )   2.8   1.0   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hd+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hn )   3.8   2.0   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name  hd+ )   3.8   2.0   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name   hn )   2.8   1.0   0.0
assign ( resid  47 and name  hd+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hd+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  49 and name  hg+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name   hb )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hd+ ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  47 and name  he+ ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hb+ )   3.8   2.0   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hd+ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name   hn )   3.8   2.0   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name  hd+ )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name   hn )   3.8   2.0   0.0
assign ( resid  48 and name  hd+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  49 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name   hb )   3.8   2.0   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  51 and name   hb )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hd+ ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hd+ )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name   hn )   3.8   2.0   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name  hd+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hd+ ) ( resid  49 and name  hg+ )   3.8   2.0   0.0
assign ( resid  49 and name   he ) ( resid  49 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name  hg+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name   ha )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  49 and name  hd+ ) ( resid  50 and name   ha )   5.0   3.2   0.0
assign ( resid  49 and name  hd+ ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  49 and name  hd+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name hg++ )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   he ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   he ) ( resid  53 and name  hd+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hb )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name hg++ )   2.8   1.0   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hn )   3.8   2.0   0.0
assign ( resid  50 and name   hb ) ( resid  50 and name hg++ )   2.8   1.0   0.0
assign ( resid  50 and name   hb ) ( resid  50 and name   hn )   3.8   2.0   0.0
assign ( resid  50 and name hg++ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  51 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name  hg+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name hg++ ) ( resid  54 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hb )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name hg++ )   3.8   2.0   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hn )   3.8   2.0   0.0
assign ( resid  51 and name   hb ) ( resid  51 and name hg++ )   3.8   2.0   0.0
assign ( resid  51 and name   hb ) ( resid  51 and name   hn )   3.8   2.0   0.0
assign ( resid  51 and name hg++ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hb ) ( resid  52 and name  ha+ )   5.0   3.2   0.0
assign ( resid  51 and name   hb ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name hg++ ) ( resid  52 and name  ha+ )   5.0   3.2   0.0
assign ( resid  51 and name hg++ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hn ) ( resid  52 and name   hn )   3.8   2.0   0.0
assign ( resid  51 and name   hn ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  54 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name hg++ ) ( resid  54 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name hg++ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  ha+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  ha+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  ha+ ) ( resid  55 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name  ha+ ) ( resid  55 and name hd++ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hd+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hg+ )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hb+ )   3.8   2.0   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name  hd+ )   3.8   2.0   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name  hg+ )   2.8   1.0   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name   hn )   3.8   2.0   0.0
assign ( resid  53 and name  hd+ ) ( resid  53 and name  hg+ )   3.8   2.0   0.0
assign ( resid  53 and name  hd+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hg+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   ha )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hg+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hn )   3.8   2.0   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name  hg+ )   3.8   2.0   0.0
assign ( resid  54 and name  he+ ) ( resid  54 and name  hg+ )   5.0   3.2   0.0
assign ( resid  54 and name  hg+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name hd++ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name  hb+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name hd++ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  57 and name   hb )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  57 and name hd1+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  57 and name hg1+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  57 and name hg2+ )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  57 and name hg2+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  58 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name hd++ )   3.8   2.0   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hg )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name   hg )   2.8   1.0   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name hd++ )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hd++ ) ( resid  55 and name   hg )   2.8   1.0   0.0
assign ( resid  55 and name hd++ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hg ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name hd++ ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hg ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hg ) ( resid  57 and name hd1+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  57 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  58 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name hd++ ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name   hg ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hb+ )   3.8   2.0   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  hg+ )   3.8   2.0   0.0
assign ( resid  56 and name  hd+ ) ( resid  56 and name  hg+ )   3.8   2.0   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name hg2+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  57 and name hg2+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hd+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hg+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hg+ ) ( resid  57 and name hg2+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name hd1+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hb )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name hg1+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name hg2+ )   3.8   2.0   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name hd1+ )   3.8   2.0   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name hg1+ )   5.0   3.2   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name hg2+ )   2.8   1.0   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hd1+ ) ( resid  57 and name hg1+ )   2.8   1.0   0.0
assign ( resid  57 and name hd1+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg1+ ) ( resid  57 and name hg2+ )   3.8   2.0   0.0
assign ( resid  57 and name hg1+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hb ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hd1+ ) ( resid  58 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name hd1+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  58 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  58 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  58 and name  hg+ )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hd1+ ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name hg2+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name  hb+ )   2.8   1.0   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name  hg+ )   3.8   2.0   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  58 and name he2+ )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  58 and name  hg+ )   2.8   1.0   0.0
assign ( resid  58 and name  hb+ ) ( resid  58 and name   hn )   3.8   2.0   0.0
assign ( resid  58 and name he2+ ) ( resid  58 and name  hg+ )   5.0   3.2   0.0
assign ( resid  58 and name  hg+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hg+ ) ( resid  59 and name  hb+ )   3.8   2.0   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hg+ ) ( resid  61 and name   ha )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name hd2+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hb+ )   3.8   2.0   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name   hn )   3.8   2.0   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name hd2+ )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name hd2+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  66 and name hd2+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hg+ )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name  hg+ )   2.8   1.0   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  62 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hg+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hb+ )   2.8   1.0   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name   hn )   3.8   2.0   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name  hg+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  63 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  65 and name  hd+ )   3.8   2.0   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hg+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name  hd+ )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name  hg+ )   2.8   1.0   0.0
assign ( resid  63 and name  hd+ ) ( resid  63 and name  hg+ )   3.8   2.0   0.0
assign ( resid  63 and name   ha ) ( resid  64 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  65 and name  hg+ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name  hb+ )   3.8   2.0   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  65 and name  hd+ )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name  hd+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name  hg+ )   2.8   1.0   0.0
assign ( resid  65 and name  hd+ ) ( resid  65 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name  hb+ )   3.8   2.0   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hb )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name   hb )   2.8   1.0   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name hg2+ )   3.8   2.0   0.0
assign ( resid  68 and name   hb ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hb ) ( resid  68 and name hg2+ )   2.8   1.0   0.0
assign ( resid  68 and name hg2+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  ha+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
!Dihedrals
assign (resid    1  and name C)  (resid    2  and name N)
       (resid    2  and name CA) (resid    2  and name C)  1.0 -120.0 50.0 2
assign (resid    3  and name C)  (resid    4  and name N)
       (resid    4  and name CA) (resid    4  and name C)  1.0 -55.0 35.0 2
assign (resid    9  and name C)  (resid   10  and name N)
       (resid   10  and name CA) (resid   10  and name C)  1.0 -55.0 35.0 2
assign (resid   10  and name C)  (resid   11  and name N)
       (resid   11  and name CA) (resid   11  and name C)  1.0 -120.0 60.0 2
assign (resid   16  and name C)  (resid   17  and name N)
       (resid   17  and name CA) (resid   17  and name C)  1.0 -55.0 35.0 2
assign (resid   17  and name C)  (resid   18  and name N)
       (resid   18  and name CA) (resid   18  and name C)  1.0 -55.0 45.0 2
assign (resid   20  and name C)  (resid   21  and name N)
       (resid   21  and name CA) (resid   21  and name C)  1.0 -120.0 40.0 2
assign (resid   21  and name C)  (resid   22  and name N)
       (resid   22  and name CA) (resid   22  and name C)  1.0 -55.0 35.0 2
assign (resid   22  and name C)  (resid   23  and name N)
       (resid   23  and name CA) (resid   23  and name C)  1.0 -55.0 35.0 2
assign (resid   23  and name C)  (resid   24  and name N)
       (resid   24  and name CA) (resid   24  and name C)  1.0 -120.0 40.0 2
assign (resid   24  and name C)  (resid   25  and name N)
       (resid   25  and name CA) (resid   25  and name C)  1.0 -55.0 35.0 2
assign (resid   25  and name C)  (resid   26  and name N)
       (resid   26  and name CA) (resid   26  and name C)  1.0 -55.0 35.0 2
assign (resid   26  and name C)  (resid   27  and name N)
       (resid   27  and name CA) (resid   27  and name C)  1.0 -55.0 35.0 2
assign (resid   27  and name C)  (resid   28  and name N)
       (resid   28  and name CA) (resid   28  and name C)  1.0 -55.0 35.0 2
assign (resid   28  and name C)  (resid   29  and name N)
       (resid   29  and name CA) (resid   29  and name C)  1.0 -120.0 40.0 2
assign (resid   32  and name C)  (resid   33  and name N)
       (resid   33  and name CA) (resid   33  and name C)  1.0 -55.0 35.0 2
assign (resid   37  and name C)  (resid   38  and name N)
       (resid   38  and name CA) (resid   38  and name C)  1.0 -55.0 35.0 2
assign (resid   38  and name C)  (resid   39  and name N)
       (resid   39  and name CA) (resid   39  and name C)  1.0 -55.0 35.0 2
assign (resid   40  and name C)  (resid   41  and name N)
       (resid   41  and name CA) (resid   41  and name C)  1.0 -55.0 35.0 2
assign (resid   46  and name C)  (resid   47  and name N)
       (resid   47  and name CA) (resid   47  and name C)  1.0 -55.0 35.0 2
assign (resid   47  and name C)  (resid   48  and name N)
       (resid   48  and name CA) (resid   48  and name C)  1.0 -55.0 35.0 2
assign (resid   48  and name C)  (resid   49  and name N)
       (resid   49  and name CA) (resid   49  and name C)  1.0 -55.0 35.0 2
assign (resid   57  and name C)  (resid   58  and name N)
       (resid   58  and name CA) (resid   58  and name C)  1.0 -55.0 35.0 2
assign (resid   58  and name C)  (resid   59  and name N)
       (resid   59  and name CA) (resid   59  and name C)  1.0 -55.0 35.0 2
assign (resid   63  and name C)  (resid   64  and name N)
       (resid   64  and name CA) (resid   64  and name C)  1.0 -120.0 60.0 2
assign (resid   67  and name C)  (resid   68  and name N)
       (resid   68  and name CA) (resid   68  and name C)  1.0 -120.0 40.0 2
!From talos
assign (resid  2 and name n ) (resid  2 and name ca )
 (resid  2 and name c ) (resid  3 and name n ) 1.0   147 28  2 ! 2 147 28
assign (resid  4 and name n ) (resid  4 and name ca )
 (resid  4 and name c ) (resid  5 and name n ) 1.0   162 32  2 ! 4 162 32
assign (resid  14 and name c ) (resid  15 and name n )
 (resid  15 and name ca ) (resid  15 and name c ) 1.0   -63 14  2 ! 15 -63 14
assign (resid  15 and name n ) (resid  15 and name ca )
 (resid  15 and name c ) (resid  16 and name n ) 1.0   -17 18  2 ! 15 -17 18
assign (resid  15 and name c ) (resid  16 and name n ) 
 (resid  16 and name ca ) (resid  16 and name c ) 1.0   -70 20  2 ! 16 -70 20
assign (resid  16 and name n ) (resid  16 and name ca ) 
 (resid  16 and name c ) (resid  17 and name n ) 1.0   -38 20  2 ! 16 -38 20
assign (resid  17 and name n ) (resid  17 and name ca ) 
 (resid  17 and name c ) (resid  18 and name n ) 1.0   -39 16  2 ! 17 -39 16
assign (resid  18 and name n ) (resid  18 and name ca ) 
 (resid  18 and name c ) (resid  19 and name n ) 1.0   -36 30  2 ! 18 -36 30
assign (resid  18 and name c ) (resid  19 and name n ) 
 (resid  19 and name ca ) (resid  19 and name c ) 1.0   -64 10  2 ! 19 -64 10
assign (resid  19 and name n ) (resid  19 and name ca ) 
 (resid  19 and name c ) (resid  20 and name n ) 1.0   -42 10  2 ! 19 -42 10
assign (resid  19 and name c ) (resid  20 and name n ) 
 (resid  20 and name ca ) (resid  20 and name c ) 1.0   -66 16  2 ! 20 -66 16
assign (resid  20 and name n ) (resid  20 and name ca ) 
 (resid  20 and name c ) (resid  21 and name n ) 1.0   -37 18  2 ! 20 -37 18
assign (resid  21 and name n ) (resid  21 and name ca ) 
 (resid  21 and name c ) (resid  22 and name n ) 1.0   -37 26  2 ! 21 -37 26
assign (resid  22 and name n ) (resid  22 and name ca ) 
 (resid  22 and name c ) (resid  23 and name n ) 1.0   -43 12  2 ! 22 -43 12
assign (resid  23 and name n ) (resid  23 and name ca ) 
 (resid  23 and name c ) (resid  24 and name n ) 1.0   -41 10  2 ! 23 -41 10
assign (resid  24 and name n ) (resid  24 and name ca ) 
 (resid  24 and name c ) (resid  25 and name n ) 1.0   -37 10  2 ! 24 -37 10
assign (resid  25 and name n ) (resid  25 and name ca ) 
 (resid  25 and name c ) (resid  26 and name n ) 1.0   -42 14  2 ! 25 -42 14
assign (resid  26 and name n ) (resid  26 and name ca ) 
 (resid  26 and name c ) (resid  27 and name n ) 1.0   -41 12  2 ! 26 -41 12
assign (resid  27 and name n ) (resid  27 and name ca ) 
 (resid  27 and name c ) (resid  28 and name n ) 1.0   -42 10  2 ! 27 -42 10
assign (resid  28 and name n ) (resid  28 and name ca ) 
 (resid  28 and name c ) (resid  29 and name n ) 1.0   -40 12  2 ! 28 -40 12
assign (resid  29 and name n ) (resid  29 and name ca ) 
 (resid  29 and name c ) (resid  30 and name n ) 1.0   -34 26  2 ! 29 -34 26
assign (resid  30 and name c ) (resid  31 and name n ) 
 (resid  31 and name ca ) (resid  31 and name c ) 1.0   -70 26  2 ! 31 -70 26
assign (resid  31 and name n ) (resid  31 and name ca ) 
 (resid  31 and name c ) (resid  32 and name n ) 1.0   -26 34  2 ! 31 -26 34
assign (resid  33 and name n ) (resid  33 and name ca ) 
 (resid  33 and name c ) (resid  34 and name n ) 1.0   -36 36  2 ! 33 -36 36
assign (resid  36 and name c ) (resid  37 and name n ) 
 (resid  37 and name ca ) (resid  37 and name c ) 1.0   -62 12  2 ! 37 -62 12
assign (resid  37 and name n ) (resid  37 and name ca ) 
 (resid  37 and name c ) (resid  38 and name n ) 1.0   -43 12  2 ! 37 -43 12
assign (resid  38 and name n ) (resid  38 and name ca ) 
 (resid  38 and name c ) (resid  39 and name n ) 1.0   -38 20  2 ! 38 -38 20
assign (resid  39 and name n ) (resid  39 and name ca ) 
 (resid  39 and name c ) (resid  40 and name n ) 1.0   -37 22  2 ! 39 -37 22
assign (resid  41 and name n ) (resid  41 and name ca ) 
 (resid  41 and name c ) (resid  42 and name n ) 1.0   -41 12  2 ! 41 -41 12
assign (resid  41 and name c ) (resid  42 and name n ) 
 (resid  42 and name ca ) (resid  42 and name c ) 1.0   -64 14  2 ! 42 -64 14
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   -41 12  2 ! 42 -41 12
assign (resid  42 and name c ) (resid  43 and name n ) 
 (resid  43 and name ca ) (resid  43 and name c ) 1.0   -65 6  2 ! 43 -65 6
assign (resid  43 and name n ) (resid  43 and name ca ) 
 (resid  43 and name c ) (resid  44 and name n ) 1.0   -41 12  2 ! 43 -41 12
assign (resid  43 and name c ) (resid  44 and name n ) 
 (resid  44 and name ca ) (resid  44 and name c ) 1.0   -64 8  2 ! 44 -64 8
assign (resid  44 and name n ) (resid  44 and name ca ) 
 (resid  44 and name c ) (resid  45 and name n ) 1.0   -40 10  2 ! 44 -40 10
assign (resid  44 and name c ) (resid  45 and name n ) 
 (resid  45 and name ca ) (resid  45 and name c ) 1.0   -73 32  2 ! 45 -73 32
assign (resid  45 and name n ) (resid  45 and name ca ) 
 (resid  45 and name c ) (resid  46 and name n ) 1.0   -47 16  2 ! 45 -47 16
assign (resid  47 and name n ) (resid  47 and name ca ) 
 (resid  47 and name c ) (resid  48 and name n ) 1.0   -44 10  2 ! 47 -44 10
assign (resid  48 and name n ) (resid  48 and name ca ) 
 (resid  48 and name c ) (resid  49 and name n ) 1.0   -40 14  2 ! 48 -40 14
assign (resid  49 and name n ) (resid  49 and name ca ) 
 (resid  49 and name c ) (resid  50 and name n ) 1.0   -40 10  2 ! 49 -40 10
assign (resid  49 and name c ) (resid  50 and name n ) 
 (resid  50 and name ca ) (resid  50 and name c ) 1.0   -66 14  2 ! 50 -66 14
assign (resid  50 and name n ) (resid  50 and name ca ) 
 (resid  50 and name c ) (resid  51 and name n ) 1.0   -43 12  2 ! 50 -43 12
assign (resid  50 and name c ) (resid  51 and name n ) 
 (resid  51 and name ca ) (resid  51 and name c ) 1.0   -75 32  2 ! 51 -75 32
assign (resid  51 and name n ) (resid  51 and name ca ) 
 (resid  51 and name c ) (resid  52 and name n ) 1.0   -36 30  2 ! 51 -36 30
assign (resid  55 and name c ) (resid  56 and name n )
 (resid  56 and name ca ) (resid  56 and name c ) 1.0   -61 21  2 ! 56 -61 21
assign (resid  56 and name n ) (resid  56 and name ca )
 (resid  56 and name c ) (resid  57 and name n ) 1.0   -37 19  2 ! 56 -37 19
assign (resid  61 and name c ) (resid  62 and name n )
 (resid  62 and name ca ) (resid  62 and name c ) 1.0   -100 53  2 ! 62 -100 53
assign (resid  62 and name n ) (resid  62 and name ca )
 (resid  62 and name c ) (resid  63 and name n ) 1.0   132 61  2 ! 62 132 61
assign (resid  69 and name c ) (resid  70 and name n )
 (resid  70 and name ca ) (resid  70 and name c ) 1.0   -117 54  2 ! 70 -117 54
assign (resid  70 and name n ) (resid  70 and name ca )
 (resid  70 and name c ) (resid  71 and name n ) 1.0   137 33  2 ! 70 137 33
assign (resid  61 and name c ) (resid  62 and name n )
 (resid  62 and name ca ) (resid  62 and name c ) 1.0   -97 76  2 ! 62 -97 76
assign (resid  62 and name n ) (resid  62 and name ca )
 (resid  62 and name c ) (resid  63 and name n ) 1.0   152 30  2 ! 62 152 30
assign (resid  71 and name c ) (resid  72 and name n )
 (resid  72 and name ca ) (resid  72 and name c ) 1.0   -140 52  2 ! 72 -140 52
assign (resid  72 and name n ) (resid  72 and name ca )
 (resid  72 and name c ) (resid  73 and name n ) 1.0   165 20  2 ! 72 165 20
assign (resid  72 and name c ) (resid  73 and name n )
 (resid  73 and name ca ) (resid  73 and name c ) 1.0   -122 98  2 ! 73 -122 98
assign (resid  73 and name n ) (resid  73 and name ca )
 (resid  73 and name c ) (resid  74 and name n ) 1.0   160 40  2 ! 73 160 40
assign (resid  74 and name c ) (resid  75 and name n )
 (resid  75 and name ca ) (resid  75 and name c ) 1.0   -116 62  2 ! 75 -116 62
assign (resid  75 and name n ) (resid  75 and name ca )
 (resid  75 and name c ) (resid  76 and name n ) 1.0   137 20  2 ! 75 137 20
!Hydrogen bonds
assign (resid    25  and name HN   )(resid  21  and name O    )   2.3 0.5 0.2
assign (resid    25  and name N    )(resid  21  and name O    )   3.3 0.8 0.2
assign (resid    26  and name HN   )(resid  22  and name O    )   2.3 0.5 0.2
assign (resid    26  and name N    )(resid  22  and name O    )   3.3 0.8 0.2
assign (resid    27  and name HN   )(resid  23  and name O    )   2.3 0.5 0.2
assign (resid    27  and name N    )(resid  23  and name O    )   3.3 0.8 0.2
assign (resid    28  and name HN   )(resid  24  and name O    )   2.3 0.5 0.2
assign (resid    28  and name N    )(resid  24  and name O    )   3.3 0.8 0.2
assign (resid    29  and name HN   )(resid  25  and name O    )   3.0 0.5 0.2
assign (resid    29  and name N    )(resid  25  and name O    )   4.0 0.8 0.2
assign (resid    30  and name HN   )(resid  26  and name O    )   2.3 0.5 0.2
assign (resid    30  and name N    )(resid  26  and name O    )   3.3 0.8 0.2
assign (resid    31  and name HN   )(resid  27  and name O    )   3.0 0.5 0.2
assign (resid    31  and name N    )(resid  27  and name O    )   4.0 0.8 0.2
assign (resid    32  and name HN   )(resid  28  and name O    )   3.0 0.5 0.2
assign (resid    32  and name N    )(resid  28  and name O    )   4.0 0.8 0.2
assign (resid    33  and name HN   )(resid  29  and name O    )   3.0 0.5 0.2
assign (resid    33  and name N    )(resid  29  and name O    )   4.0 0.8 0.2
assign (resid    34  and name HN   )(resid  30  and name O    )   3.0 0.5 0.2
assign (resid    34  and name N    )(resid  30  and name O    )   4.0 0.8 0.2
assign (resid    35  and name HN   )(resid  31  and name O    )   3.0 0.5 0.2
assign (resid    35  and name N    )(resid  31  and name O    )   4.0 0.8 0.2
assign (resid    36  and name HN   )(resid  32  and name O    )   3.0 0.5 0.2
assign (resid    36  and name N    )(resid  32  and name O    )   4.0 0.8 0.2
assign (resid    37  and name HN   )(resid  33  and name O    )   2.3 0.5 0.2
assign (resid    37  and name N    )(resid  33  and name O    )   3.3 0.8 0.2
assign (resid    38  and name HN   )(resid  34  and name O    )   2.3 0.5 0.2
assign (resid    38  and name N    )(resid  34  and name O    )   3.3 0.8 0.2
assign (resid    39  and name HN   )(resid  35  and name O    )   2.3 0.5 0.2
assign (resid    39  and name N    )(resid  35  and name O    )   3.3 0.8 0.2
assign (resid    40  and name HN   )(resid  36  and name O    )   2.3 0.5 0.2
assign (resid    40  and name N    )(resid  36  and name O    )   3.3 0.8 0.2
assign (resid    41  and name HN   )(resid  37  and name O    )   2.3 0.5 0.2
assign (resid    42  and name HN   )(resid  38  and name O    )   2.3 0.5 0.2
assign (resid    42  and name N    )(resid  38  and name O    )   3.3 0.8 0.2
assign (resid    43  and name HN   )(resid  39  and name O    )   2.3 0.5 0.2
assign (resid    43  and name N    )(resid  39  and name O    )   3.3 0.8 0.2
assign (resid    44  and name HN   )(resid  40  and name O    )   2.3 0.5 0.2
assign (resid    44  and name N    )(resid  40  and name O    )   3.3 0.8 0.2
assign (resid    45  and name HN   )(resid  41  and name O    )   2.3 0.5 0.2
assign (resid    45  and name N    )(resid  41  and name O    )   3.3 0.8 0.2
assign (resid    46  and name HN   )(resid  42  and name O    )   2.3 0.5 0.2
assign (resid    46  and name N    )(resid  42  and name O    )   3.3 0.8 0.2
assign (resid    47  and name HN   )(resid  43  and name O    )   2.3 0.5 0.2
assign (resid    47  and name N    )(resid  43  and name O    )   3.3 0.8 0.2
assign (resid    48  and name HN   )(resid  44  and name O    )   2.3 0.5 0.2
assign (resid    48  and name N    )(resid  44  and name O    )   3.3 0.8 0.2
assign (resid    49  and name HN   )(resid  45  and name O    )   2.3 0.5 0.2
assign (resid    49  and name N    )(resid  45  and name O    )   3.3 0.8 0.2
assign (resid    50  and name HN   )(resid  46  and name O    )   2.3 0.5 0.2
assign (resid    50  and name N    )(resid  46  and name O    )   3.3 0.8 0.2
assign (resid    51  and name HN   )(resid  47  and name O    )   2.3 0.5 0.2
assign (resid    51  and name N    )(resid  47  and name O    )   3.3 0.8 0.2
assign (resid    52  and name HN   )(resid  48  and name O    )   3.0 0.5 0.2
assign (resid    52  and name N    )(resid  48  and name O    )   4.0 0.8 0.2
assign (resid    53  and name HN   )(resid  49  and name O    )   3.0 0.5 0.2
assign (resid    53  and name N    )(resid  49  and name O    )   4.0 0.8 0.2
assign (resid    54  and name HN   )(resid  50  and name O    )   3.0 0.5 0.2
assign (resid    54  and name N    )(resid  50  and name O    )   4.0 0.8 0.2

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1H        MET   1  29.498  -0.110   7.733
    2   2H    MET   1          2H        MET   1  28.556   0.584   6.482
    3   3H    MET   1          3H        MET   1  28.039   0.702   8.113
    4    HA   MET   1           HA       MET   1  28.900   2.755   7.615
    5   1HB   MET   1          HB2       MET   1  29.760   1.350   9.668
    6   2HB   MET   1          HB1       MET   1  31.300   1.438   8.825
    7   1HG   MET   1          HG2       MET   1  31.126   3.198  10.470
    8   2HG   MET   1          HG1       MET   1  31.175   3.875   8.843
    9   1HE   MET   1          HE1       MET   1  29.527   4.845   7.630
   10   2HE   MET   1          HE2       MET   1  29.439   6.236   8.711
   11   3HE   MET   1          HE3       MET   1  27.959   5.448   8.166
   12    H    ALA   2           HN       ALA   2  30.534   0.194   6.011
   13    HA   ALA   2           HA       ALA   2  32.288   2.125   4.639
   14   1HB   ALA   2          HB1       ALA   2  33.767   0.301   4.115
   15   2HB   ALA   2          HB2       ALA   2  32.635  -0.866   4.798
   16   3HB   ALA   2          HB3       ALA   2  33.444   0.297   5.850
   17    H    ASP   3           HN       ASP   3  31.923   2.539   2.559
   18    HA   ASP   3           HA       ASP   3  29.985   0.854   1.133
   19   1HB   ASP   3          HB2       ASP   3  30.732   3.752   0.926
   20   2HB   ASP   3          HB1       ASP   3  29.982   2.936  -0.442
   21    H    LYS   4           HN       LYS   4  30.330   0.860  -1.322
   22    HA   LYS   4           HA       LYS   4  32.596  -0.559  -1.975
   23   1HB   LYS   4          HB2       LYS   4  30.316   0.343  -3.321
   24   2HB   LYS   4          HB1       LYS   4  31.666   0.975  -4.253
   25   1HG   LYS   4          HG2       LYS   4  31.642  -1.012  -5.265
   26   2HG   LYS   4          HG1       LYS   4  32.456  -1.595  -3.812
   27   1HD   LYS   4          HD2       LYS   4  29.477  -1.617  -4.300
   28   2HD   LYS   4          HD1       LYS   4  30.550  -3.014  -4.404
   29   1HE   LYS   4          HE2       LYS   4  30.124  -1.353  -1.923
   30   2HE   LYS   4          HE1       LYS   4  29.301  -2.875  -2.263
   31   1HZ   LYS   4          HZ1       LYS   4  32.247  -2.563  -2.053
   32   2HZ   LYS   4          HZ2       LYS   4  31.399  -4.014  -2.249
   33   3HZ   LYS   4          HZ3       LYS   4  31.249  -3.136  -0.812
   34    H    THR   5           HN       THR   5  34.140   0.191  -3.842
   35    HA   THR   5           HA       THR   5  35.884   1.495  -4.517
   36    HB   THR   5           HB       THR   5  34.995   3.950  -3.131
   37    HG1  THR   5           HG1      THR   5  33.398   2.659  -5.079
   38   1HG2  THR   5          HG21      THR   5  35.037   4.565  -5.738
   39   2HG2  THR   5          HG22      THR   5  36.150   3.197  -5.728
   40   3HG2  THR   5          HG23      THR   5  36.462   4.597  -4.701
   41    H    ILE   6           HN       ILE   6  34.941   2.868  -1.363
   42    HA   ILE   6           HA       ILE   6  37.696   2.659  -0.451
   43    HB   ILE   6           HB       ILE   6  36.889   3.852   1.563
   44   1HG1  ILE   6          HG12      ILE   6  34.294   4.467   0.263
   45   2HG1  ILE   6          HG11      ILE   6  34.446   2.871   0.991
   46   1HG2  ILE   6          HG21      ILE   6  37.622   4.943  -0.654
   47   2HG2  ILE   6          HG22      ILE   6  36.812   5.944   0.551
   48   3HG2  ILE   6          HG23      ILE   6  35.915   5.344  -0.844
   49   1HD1  ILE   6          HD11      ILE   6  33.660   3.996   2.784
   50   2HD1  ILE   6          HD12      ILE   6  34.338   5.536   2.257
   51   3HD1  ILE   6          HD13      ILE   6  35.377   4.327   3.011
   52    H    PHE   7           HN       PHE   7  35.181   0.569  -0.585
   53    HA   PHE   7           HA       PHE   7  35.001  -0.489   2.010
   54   1HB   PHE   7          HB2       PHE   7  33.830  -2.288   1.056
   55   2HB   PHE   7          HB1       PHE   7  33.498  -0.943  -0.026
   56    HD1  PHE   7           HD1      PHE   7  36.041  -0.897  -1.581
   57    HD2  PHE   7           HD2      PHE   7  33.585  -4.139  -0.328
   58    HE1  PHE   7           HE1      PHE   7  36.844  -2.235  -3.482
   59    HE2  PHE   7           HE2      PHE   7  34.385  -5.483  -2.227
   60    HZ   PHE   7           HZ       PHE   7  36.017  -4.531  -3.806
   61    H    ASN   8           HN       ASN   8  37.534  -0.620  -0.272
   62    HA   ASN   8           HA       ASN   8  38.735  -3.056   0.080
   63   1HB   ASN   8          HB2       ASN   8  40.902  -1.861  -0.302
   64   2HB   ASN   8          HB1       ASN   8  39.645  -1.457  -1.467
   65   1HD2  ASN   8          HD21      ASN   8  41.917   0.111  -0.938
   66   2HD2  ASN   8          HD22      ASN   8  41.388   1.615  -0.271
   67    H    ASP   9           HN       ASP   9  38.458  -0.476   2.392
   68    HA   ASP   9           HA       ASP   9  40.522  -0.896   4.135
   69   1HB   ASP   9          HB2       ASP   9  37.646  -0.159   4.597
   70   2HB   ASP   9          HB1       ASP   9  38.755  -0.332   5.954
   71    H    HIS  10           HN       HIS  10  41.086  -2.353   5.671
   72    HA   HIS  10           HA       HIS  10  40.331  -5.000   5.483
   73   1HB   HIS  10          HB2       HIS  10  41.271  -5.133   7.905
   74   2HB   HIS  10          HB1       HIS  10  42.346  -4.658   6.595
   75    HD1  HIS  10           HD1      HIS  10  40.352  -3.123   9.423
   76    HD2  HIS  10           HD2      HIS  10  43.534  -2.215   6.910
   77    HE1  HIS  10           HE1      HIS  10  41.308  -0.968  10.300
   78    HE2  HIS  10           HE2      HIS  10  43.171  -0.389   8.705
   79    H    LEU  11           HN       LEU  11  38.885  -2.437   7.369
   80    HA   LEU  11           HA       LEU  11  37.334  -4.036   9.099
   81   1HB   LEU  11          HB2       LEU  11  35.942  -1.996   9.370
   82   2HB   LEU  11          HB1       LEU  11  37.657  -1.723   9.611
   83    HG   LEU  11           HG       LEU  11  37.176  -1.190   6.889
   84   1HD1  LEU  11          HD11      LEU  11  34.915  -0.848   6.978
   85   2HD1  LEU  11          HD12      LEU  11  35.499   0.767   7.382
   86   3HD1  LEU  11          HD13      LEU  11  34.948  -0.317   8.660
   87   1HD2  LEU  11          HD21      LEU  11  38.837   0.015   7.982
   88   2HD2  LEU  11          HD22      LEU  11  37.775   0.455   9.320
   89   3HD2  LEU  11          HD23      LEU  11  37.563   1.210   7.740
   90    H    ASN  12           HN       ASN  12  35.599  -5.252   8.716
   91    HA   ASN  12           HA       ASN  12  34.584  -5.711   6.163
   92   1HB   ASN  12          HB2       ASN  12  34.338  -7.375   7.887
   93   2HB   ASN  12          HB1       ASN  12  33.378  -6.283   8.877
   94   1HD2  ASN  12          HD21      ASN  12  31.352  -6.901   8.919
   95   2HD2  ASN  12          HD22      ASN  12  30.440  -7.515   7.586
   96    H    THR  13           HN       THR  13  32.069  -4.917   8.441
   97    HA   THR  13           HA       THR  13  30.143  -3.720   8.010
   98    HB   THR  13           HB       THR  13  31.692  -2.331   9.402
   99    HG1  THR  13           HG1      THR  13  29.823  -1.361   9.399
  100   1HG2  THR  13          HG21      THR  13  32.968  -0.613   8.599
  101   2HG2  THR  13          HG22      THR  13  32.083  -0.517   7.078
  102   3HG2  THR  13          HG23      THR  13  33.220  -1.835   7.354
  103    H    ASN  14           HN       ASN  14  30.474  -4.833   5.689
  104    HA   ASN  14           HA       ASN  14  30.827  -2.907   3.567
  105   1HB   ASN  14          HB2       ASN  14  31.413  -5.484   3.641
  106   2HB   ASN  14          HB1       ASN  14  29.762  -5.641   3.050
  107   1HD2  ASN  14          HD21      ASN  14  29.594  -5.718   0.943
  108   2HD2  ASN  14          HD22      ASN  14  30.656  -4.974  -0.198
  109    HA   PRO  15           HA       PRO  15  25.949  -4.130   3.544
  110   1HB   PRO  15          HB2       PRO  15  25.722  -2.852   6.238
  111   2HB   PRO  15          HB1       PRO  15  24.735  -4.125   5.509
  112   1HG   PRO  15          HG2       PRO  15  26.566  -4.742   7.322
  113   2HG   PRO  15          HG1       PRO  15  26.335  -5.768   5.893
  114   1HD   PRO  15          HD2       PRO  15  28.508  -3.819   6.498
  115   2HD   PRO  15          HD1       PRO  15  28.586  -5.362   5.622
  116    H    LYS  16           HN       LYS  16  27.854  -1.410   4.606
  117    HA   LYS  16           HA       LYS  16  26.104   0.701   4.422
  118   1HB   LYS  16          HB2       LYS  16  28.855   0.423   4.605
  119   2HB   LYS  16          HB1       LYS  16  28.636   1.292   3.094
  120   1HG   LYS  16          HG2       LYS  16  27.678   2.121   5.824
  121   2HG   LYS  16          HG1       LYS  16  28.933   2.882   4.847
  122   1HD   LYS  16          HD2       LYS  16  27.376   4.226   4.006
  123   2HD   LYS  16          HD1       LYS  16  26.653   2.821   3.225
  124   1HE   LYS  16          HE2       LYS  16  25.802   2.733   5.895
  125   2HE   LYS  16          HE1       LYS  16  25.661   4.420   5.403
  126   1HZ   LYS  16          HZ1       LYS  16  24.393   2.052   4.155
  127   2HZ   LYS  16          HZ2       LYS  16  24.457   3.559   3.389
  128   3HZ   LYS  16          HZ3       LYS  16  23.633   3.392   4.857
  129    H    THR  17           HN       THR  17  27.632  -1.069   1.765
  130    HA   THR  17           HA       THR  17  26.372   0.704  -0.175
  131    HB   THR  17           HB       THR  17  28.346  -1.558  -0.437
  132    HG1  THR  17           HG1      THR  17  28.439   1.235  -0.871
  133   1HG2  THR  17          HG21      THR  17  26.639  -0.401  -2.511
  134   2HG2  THR  17          HG22      THR  17  27.571  -1.898  -2.503
  135   3HG2  THR  17          HG23      THR  17  28.365  -0.367  -2.872
  136    H    ASN  18           HN       ASN  18  26.508  -2.790   0.452
  137    HA   ASN  18           HA       ASN  18  24.626  -3.627  -1.370
  138   1HB   ASN  18          HB2       ASN  18  25.766  -4.704   1.123
  139   2HB   ASN  18          HB1       ASN  18  24.230  -5.410   0.629
  140   1HD2  ASN  18          HD21      ASN  18  26.798  -6.683   0.740
  141   2HD2  ASN  18          HD22      ASN  18  27.168  -7.212  -0.862
  142    H    LEU  19           HN       LEU  19  24.028  -2.744   2.033
  143    HA   LEU  19           HA       LEU  19  21.215  -3.168   1.800
  144   1HB   LEU  19          HB2       LEU  19  22.627  -3.341   3.904
  145   2HB   LEU  19          HB1       LEU  19  22.632  -1.589   3.931
  146    HG   LEU  19           HG       LEU  19  19.972  -2.047   3.755
  147   1HD1  LEU  19          HD11      LEU  19  20.528  -4.536   3.896
  148   2HD1  LEU  19          HD12      LEU  19  19.287  -3.913   4.984
  149   3HD1  LEU  19          HD13      LEU  19  20.914  -4.225   5.589
  150   1HD2  LEU  19          HD21      LEU  19  21.464  -2.110   6.369
  151   2HD2  LEU  19          HD22      LEU  19  19.856  -1.459   6.052
  152   3HD2  LEU  19          HD23      LEU  19  21.279  -0.654   5.391
  153    H    ARG  20           HN       ARG  20  23.334  -0.344   1.911
  154    HA   ARG  20           HA       ARG  20  21.393   1.620   1.918
  155   1HB   ARG  20          HB2       ARG  20  23.770   2.069   2.274
  156   2HB   ARG  20          HB1       ARG  20  24.090   1.730   0.577
  157   1HG   ARG  20          HG2       ARG  20  24.006   4.130   1.062
  158   2HG   ARG  20          HG1       ARG  20  22.762   3.630  -0.087
  159   1HD   ARG  20          HD2       ARG  20  22.065   3.646   2.800
  160   2HD   ARG  20          HD1       ARG  20  22.219   5.202   1.983
  161    HE   ARG  20           HE       ARG  20  20.100   3.307   1.683
  162   1HH1  ARG  20          HH11      ARG  20  21.916   5.786   0.022
  163   2HH1  ARG  20          HH12      ARG  20  20.645   6.138  -1.101
  164   1HH2  ARG  20          HH21      ARG  20  18.437   3.765   0.205
  165   2HH2  ARG  20          HH22      ARG  20  18.670   4.990  -0.997
  166    H    LEU  21           HN       LEU  21  22.685  -0.230  -0.786
  167    HA   LEU  21           HA       LEU  21  21.325   1.398  -2.735
  168   1HB   LEU  21          HB2       LEU  21  22.055  -0.274  -4.359
  169   2HB   LEU  21          HB1       LEU  21  23.384   0.266  -3.350
  170    HG   LEU  21           HG       LEU  21  22.859  -1.843  -1.941
  171   1HD1  LEU  21          HD11      LEU  21  20.905  -2.078  -3.963
  172   2HD1  LEU  21          HD12      LEU  21  21.277  -3.211  -2.662
  173   3HD1  LEU  21          HD13      LEU  21  22.086  -3.364  -4.222
  174   1HD2  LEU  21          HD21      LEU  21  24.341  -1.523  -4.467
  175   2HD2  LEU  21          HD22      LEU  21  24.105  -3.178  -3.904
  176   3HD2  LEU  21          HD23      LEU  21  24.908  -1.999  -2.866
  177    H    TRP  22           HN       TRP  22  20.754  -1.659  -1.067
  178    HA   TRP  22           HA       TRP  22  18.469  -2.434  -2.548
  179   1HB   TRP  22          HB2       TRP  22  19.903  -3.702  -0.686
  180   2HB   TRP  22          HB1       TRP  22  18.637  -3.072   0.365
  181    HD1  TRP  22           HD1      TRP  22  18.714  -4.968  -3.035
  182    HE1  TRP  22           HE1      TRP  22  16.858  -6.749  -2.978
  183    HE3  TRP  22           HE3      TRP  22  16.807  -4.006   1.609
  184    HZ2  TRP  22           HZ2      TRP  22  14.851  -7.631  -1.200
  185    HZ3  TRP  22           HZ3      TRP  22  14.919  -5.363   2.413
  186    HH2  TRP  22           HH2      TRP  22  13.962  -7.138   1.036
  187    H    VAL  23           HN       VAL  23  18.993  -0.485   0.311
  188    HA   VAL  23           HA       VAL  23  16.291   0.093   0.902
  189    HB   VAL  23           HB       VAL  23  18.703   1.818   1.489
  190   1HG1  VAL  23          HG11      VAL  23  15.864   1.887   2.279
  191   2HG1  VAL  23          HG12      VAL  23  17.039   3.195   2.143
  192   3HG1  VAL  23          HG13      VAL  23  17.032   2.162   3.572
  193   1HG2  VAL  23          HG21      VAL  23  18.317  -0.787   2.325
  194   2HG2  VAL  23          HG22      VAL  23  17.716   0.175   3.675
  195   3HG2  VAL  23          HG23      VAL  23  19.363   0.409   3.090
  196    H    ALA  24           HN       ALA  24  18.626   1.318  -1.334
  197    HA   ALA  24           HA       ALA  24  17.238   3.736  -2.024
  198   1HB   ALA  24          HB1       ALA  24  19.577   2.243  -3.194
  199   2HB   ALA  24          HB2       ALA  24  19.585   3.769  -2.306
  200   3HB   ALA  24          HB3       ALA  24  18.919   3.703  -3.937
  201    H    PHE  25           HN       PHE  25  17.377   0.451  -3.169
  202    HA   PHE  25           HA       PHE  25  16.166   0.868  -5.696
  203   1HB   PHE  25          HB2       PHE  25  17.010  -1.186  -5.904
  204   2HB   PHE  25          HB1       PHE  25  17.255  -1.295  -4.169
  205    HD1  PHE  25           HD1      PHE  25  15.549  -2.636  -6.947
  206    HD2  PHE  25           HD2      PHE  25  15.186  -1.958  -2.767
  207    HE1  PHE  25           HE1      PHE  25  13.834  -4.396  -6.816
  208    HE2  PHE  25           HE2      PHE  25  13.468  -3.715  -2.623
  209    HZ   PHE  25           HZ       PHE  25  12.791  -4.938  -4.651
  210    H    GLN  26           HN       GLN  26  14.879   0.446  -2.497
  211    HA   GLN  26           HA       GLN  26  12.217  -0.092  -3.554
  212   1HB   GLN  26          HB2       GLN  26  11.559  -0.268  -1.155
  213   2HB   GLN  26          HB1       GLN  26  12.825  -1.393  -1.628
  214   1HG   GLN  26          HG2       GLN  26  14.288   0.724  -0.780
  215   2HG   GLN  26          HG1       GLN  26  12.883   0.829   0.276
  216   1HE2  GLN  26          HE21      GLN  26  14.486  -2.013  -1.091
  217   2HE2  GLN  26          HE22      GLN  26  14.895  -2.732   0.425
  218    H    MET  27           HN       MET  27  14.010   2.460  -1.969
  219    HA   MET  27           HA       MET  27  11.683   4.136  -1.575
  220   1HB   MET  27          HB2       MET  27  13.348   5.874  -0.959
  221   2HB   MET  27          HB1       MET  27  13.513   4.393  -0.022
  222   1HG   MET  27          HG2       MET  27  15.321   3.755  -1.688
  223   2HG   MET  27          HG1       MET  27  15.245   5.425  -2.236
  224   1HE   MET  27          HE1       MET  27  15.184   7.297  -0.777
  225   2HE   MET  27          HE2       MET  27  16.911   7.485  -0.472
  226   3HE   MET  27          HE3       MET  27  15.780   7.411   0.879
  227    H    MET  28           HN       MET  28  14.402   4.010  -3.775
  228    HA   MET  28           HA       MET  28  13.352   6.293  -5.228
  229   1HB   MET  28          HB2       MET  28  15.769   5.983  -4.556
  230   2HB   MET  28          HB1       MET  28  15.863   4.727  -5.787
  231   1HG   MET  28          HG2       MET  28  14.715   7.098  -6.917
  232   2HG   MET  28          HG1       MET  28  16.229   7.495  -6.106
  233   1HE   MET  28          HE1       MET  28  18.847   5.379  -7.723
  234   2HE   MET  28          HE2       MET  28  17.738   4.210  -7.006
  235   3HE   MET  28          HE3       MET  28  18.095   5.719  -6.165
  236    H    LYS  29           HN       LYS  29  13.941   2.845  -5.673
  237    HA   LYS  29           HA       LYS  29  12.793   3.005  -8.369
  238   1HB   LYS  29          HB2       LYS  29  14.822   1.698  -8.220
  239   2HB   LYS  29          HB1       LYS  29  14.159   0.742  -6.905
  240   1HG   LYS  29          HG2       LYS  29  12.341   0.469  -9.010
  241   2HG   LYS  29          HG1       LYS  29  13.942   0.349  -9.741
  242   1HD   LYS  29          HD2       LYS  29  13.362  -1.852  -9.128
  243   2HD   LYS  29          HD1       LYS  29  14.499  -1.304  -7.897
  244   1HE   LYS  29          HE2       LYS  29  12.995  -1.619  -6.285
  245   2HE   LYS  29          HE1       LYS  29  11.808  -0.633  -7.137
  246   1HZ   LYS  29          HZ1       LYS  29  11.474  -3.215  -6.665
  247   2HZ   LYS  29          HZ2       LYS  29  12.232  -3.317  -8.174
  248   3HZ   LYS  29          HZ3       LYS  29  10.799  -2.434  -8.005
  249    H    GLY  30           HN       GLY  30  12.148   1.871  -5.147
  250   1HA   GLY  30          HA2       GLY  30   9.766   0.423  -5.974
  251   2HA   GLY  30          HA1       GLY  30  10.394   0.555  -4.338
  252    H    ALA  31           HN       ALA  31  10.482   3.621  -5.407
  253    HA   ALA  31           HA       ALA  31   7.980   4.270  -4.075
  254   1HB   ALA  31          HB1       ALA  31  10.362   5.895  -4.928
  255   2HB   ALA  31          HB2       ALA  31   9.758   5.577  -3.295
  256   3HB   ALA  31          HB3       ALA  31   8.862   6.648  -4.374
  257    H    GLY  32           HN       GLY  32   9.536   4.705  -7.222
  258   1HA   GLY  32          HA2       GLY  32   7.216   6.075  -8.298
  259   2HA   GLY  32          HA1       GLY  32   8.683   5.655  -9.174
  260    H    TRP  33           HN       TRP  33   8.714   2.897  -8.503
  261    HA   TRP  33           HA       TRP  33   6.681   1.966 -10.363
  262   1HB   TRP  33          HB2       TRP  33   9.018   1.268 -10.693
  263   2HB   TRP  33          HB1       TRP  33   9.016   0.506  -9.106
  264    HD1  TRP  33           HD1      TRP  33   5.858  -0.020 -11.078
  265    HE1  TRP  33           HE1      TRP  33   5.783  -2.439 -11.955
  266    HE3  TRP  33           HE3      TRP  33  10.652  -1.427  -9.991
  267    HZ2  TRP  33           HZ2      TRP  33   7.526  -4.650 -12.160
  268    HZ3  TRP  33           HZ3      TRP  33  11.368  -3.711 -10.560
  269    HH2  TRP  33           HH2      TRP  33   9.836  -5.289 -11.621
  270    H    ALA  34           HN       ALA  34   8.006   0.503  -7.385
  271    HA   ALA  34           HA       ALA  34   5.714  -1.030  -6.858
  272   1HB   ALA  34          HB1       ALA  34   8.088  -0.219  -5.245
  273   2HB   ALA  34          HB2       ALA  34   7.563  -1.825  -5.746
  274   3HB   ALA  34          HB3       ALA  34   6.721  -0.988  -4.441
  275    H    GLY  35           HN       GLY  35   6.535   2.270  -6.050
  276   1HA   GLY  35          HA2       GLY  35   4.789   2.763  -3.952
  277   2HA   GLY  35          HA1       GLY  35   5.228   3.949  -5.172
  278    H    GLY  36           HN       GLY  36   4.116   3.132  -7.432
  279   1HA   GLY  36          HA2       GLY  36   1.290   3.487  -6.900
  280   2HA   GLY  36          HA1       GLY  36   2.074   3.523  -8.471
  281    H    VAL  37           HN       VAL  37   3.378   0.950  -8.193
  282    HA   VAL  37           HA       VAL  37   1.202  -0.696  -9.046
  283    HB   VAL  37           HB       VAL  37   4.108  -1.405  -8.614
  284   1HG1  VAL  37          HG11      VAL  37   1.814  -2.908  -9.837
  285   2HG1  VAL  37          HG12      VAL  37   2.954  -3.444  -8.603
  286   3HG1  VAL  37          HG13      VAL  37   3.488  -3.254 -10.273
  287   1HG2  VAL  37          HG21      VAL  37   2.595  -0.534 -11.070
  288   2HG2  VAL  37          HG22      VAL  37   4.208  -1.244 -11.106
  289   3HG2  VAL  37          HG23      VAL  37   3.941   0.294 -10.288
  290    H    PHE  38           HN       PHE  38   3.563  -0.868  -6.403
  291    HA   PHE  38           HA       PHE  38   2.332  -3.093  -5.191
  292   1HB   PHE  38          HB2       PHE  38   4.759  -2.131  -4.929
  293   2HB   PHE  38          HB1       PHE  38   4.034  -1.220  -3.608
  294    HD1  PHE  38           HD1      PHE  38   3.915  -4.729  -4.881
  295    HD2  PHE  38           HD2      PHE  38   4.332  -2.132  -1.536
  296    HE1  PHE  38           HE1      PHE  38   4.167  -6.679  -3.404
  297    HE2  PHE  38           HE2      PHE  38   4.586  -4.077  -0.052
  298    HZ   PHE  38           HZ       PHE  38   4.503  -6.355  -0.985
  299    H    PHE  39           HN       PHE  39   2.471   0.322  -4.103
  300    HA   PHE  39           HA       PHE  39   0.649  -0.019  -1.995
  301   1HB   PHE  39          HB2       PHE  39   2.226   2.012  -2.726
  302   2HB   PHE  39          HB1       PHE  39   0.713   2.602  -3.408
  303    HD1  PHE  39           HD1      PHE  39   1.964   1.079  -0.239
  304    HD2  PHE  39           HD2      PHE  39  -0.580   3.949  -2.082
  305    HE1  PHE  39           HE1      PHE  39   1.292   1.902   1.981
  306    HE2  PHE  39           HE2      PHE  39  -1.256   4.779   0.134
  307    HZ   PHE  39           HZ       PHE  39  -0.320   3.755   2.169
  308    H    GLY  40           HN       GLY  40   0.150   0.830  -5.394
  309   1HA   GLY  40          HA2       GLY  40  -2.580   1.455  -5.264
  310   2HA   GLY  40          HA1       GLY  40  -1.760   0.802  -6.678
  311    H    THR  41           HN       THR  41  -0.904  -1.594  -5.203
  312    HA   THR  41           HA       THR  41  -3.326  -3.138  -5.588
  313    HB   THR  41           HB       THR  41  -0.593  -4.081  -4.756
  314    HG1  THR  41           HG1      THR  41  -0.037  -4.121  -6.810
  315   1HG2  THR  41          HG21      THR  41  -2.555  -5.687  -6.320
  316   2HG2  THR  41          HG22      THR  41  -2.665  -5.607  -4.561
  317   3HG2  THR  41          HG23      THR  41  -1.201  -6.224  -5.326
  318    H    LEU  42           HN       LEU  42  -1.022  -2.431  -2.969
  319    HA   LEU  42           HA       LEU  42  -2.258  -4.027  -1.026
  320   1HB   LEU  42          HB2       LEU  42  -0.689  -1.491  -0.600
  321   2HB   LEU  42          HB1       LEU  42  -1.074  -2.679   0.631
  322    HG   LEU  42           HG       LEU  42   0.737  -3.089  -1.746
  323   1HD1  LEU  42          HD11      LEU  42   2.034  -1.951  -0.240
  324   2HD1  LEU  42          HD12      LEU  42   2.296  -3.611   0.293
  325   3HD1  LEU  42          HD13      LEU  42   1.157  -2.577   1.156
  326   1HD2  LEU  42          HD21      LEU  42   1.147  -5.311  -0.851
  327   2HD2  LEU  42          HD22      LEU  42  -0.559  -5.110  -1.249
  328   3HD2  LEU  42          HD23      LEU  42  -0.031  -5.028   0.431
  329    H    LEU  43           HN       LEU  43  -2.860  -0.741  -2.078
  330    HA   LEU  43           HA       LEU  43  -4.740  -0.199  -0.007
  331   1HB   LEU  43          HB2       LEU  43  -4.453   1.885  -0.728
  332   2HB   LEU  43          HB1       LEU  43  -3.440   1.288  -2.025
  333    HG   LEU  43           HG       LEU  43  -6.438   1.535  -2.247
  334   1HD1  LEU  43          HD11      LEU  43  -5.253   3.721  -1.844
  335   2HD1  LEU  43          HD12      LEU  43  -6.147   3.606  -3.360
  336   3HD1  LEU  43          HD13      LEU  43  -4.391   3.440  -3.357
  337   1HD2  LEU  43          HD21      LEU  43  -6.205   0.568  -4.230
  338   2HD2  LEU  43          HD22      LEU  43  -4.534   0.209  -3.796
  339   3HD2  LEU  43          HD23      LEU  43  -4.916   1.685  -4.683
  340    H    LEU  44           HN       LEU  44  -4.804  -1.631  -3.212
  341    HA   LEU  44           HA       LEU  44  -7.662  -1.512  -3.446
  342   1HB   LEU  44          HB2       LEU  44  -5.675  -1.989  -5.220
  343   2HB   LEU  44          HB1       LEU  44  -6.214  -3.625  -4.912
  344    HG   LEU  44           HG       LEU  44  -7.636  -3.241  -6.602
  345   1HD1  LEU  44          HD11      LEU  44  -9.087  -3.237  -4.561
  346   2HD1  LEU  44          HD12      LEU  44  -9.790  -2.481  -5.989
  347   3HD1  LEU  44          HD13      LEU  44  -9.143  -1.479  -4.691
  348   1HD2  LEU  44          HD21      LEU  44  -6.790  -1.335  -7.554
  349   2HD2  LEU  44          HD22      LEU  44  -7.008  -0.376  -6.090
  350   3HD2  LEU  44          HD23      LEU  44  -8.401  -0.785  -7.091
  351    H    ILE  45           HN       ILE  45  -5.342  -3.937  -2.365
  352    HA   ILE  45           HA       ILE  45  -7.449  -5.860  -1.837
  353    HB   ILE  45           HB       ILE  45  -4.461  -5.955  -1.804
  354   1HG1  ILE  45          HG12      ILE  45  -6.249  -8.060  -2.930
  355   2HG1  ILE  45          HG11      ILE  45  -6.186  -6.502  -3.748
  356   1HG2  ILE  45          HG21      ILE  45  -4.928  -8.432  -1.019
  357   2HG2  ILE  45          HG22      ILE  45  -6.301  -7.663  -0.220
  358   3HG2  ILE  45          HG23      ILE  45  -4.656  -7.127   0.139
  359   1HD1  ILE  45          HD11      ILE  45  -4.477  -8.626  -4.127
  360   2HD1  ILE  45          HD12      ILE  45  -3.546  -7.511  -3.126
  361   3HD1  ILE  45          HD13      ILE  45  -4.220  -6.965  -4.662
  362    H    GLY  46           HN       GLY  46  -5.017  -4.065   0.034
  363   1HA   GLY  46          HA2       GLY  46  -5.748  -5.132   2.545
  364   2HA   GLY  46          HA1       GLY  46  -4.835  -3.650   2.282
  365    H    PHE  47           HN       PHE  47  -6.936  -2.520   0.595
  366    HA   PHE  47           HA       PHE  47  -8.542  -1.463   2.732
  367   1HB   PHE  47          HB2       PHE  47  -7.437  -0.143   0.772
  368   2HB   PHE  47          HB1       PHE  47  -8.857  -0.661  -0.137
  369    HD1  PHE  47           HD1      PHE  47 -10.616   0.801  -0.219
  370    HD2  PHE  47           HD2      PHE  47  -8.071   0.842   3.191
  371    HE1  PHE  47           HE1      PHE  47 -11.900   2.683   0.711
  372    HE2  PHE  47           HE2      PHE  47  -9.350   2.723   4.129
  373    HZ   PHE  47           HZ       PHE  47 -11.268   3.645   2.889
  374    H    PHE  48           HN       PHE  48  -8.879  -3.530  -0.055
  375    HA   PHE  48           HA       PHE  48 -11.743  -3.607  -0.050
  376   1HB   PHE  48          HB2       PHE  48 -10.094  -4.138  -1.982
  377   2HB   PHE  48          HB1       PHE  48  -9.956  -5.727  -1.238
  378    HD1  PHE  48           HD1      PHE  48 -11.471  -4.015  -3.766
  379    HD2  PHE  48           HD2      PHE  48 -12.460  -6.675  -0.594
  380    HE1  PHE  48           HE1      PHE  48 -13.493  -4.712  -4.984
  381    HE2  PHE  48           HE2      PHE  48 -14.483  -7.376  -1.806
  382    HZ   PHE  48           HZ       PHE  48 -15.001  -6.395  -4.005
  383    H    ARG  49           HN       ARG  49  -9.143  -5.499   1.335
  384    HA   ARG  49           HA       ARG  49 -10.800  -7.626   2.235
  385   1HB   ARG  49          HB2       ARG  49  -8.847  -8.398   3.458
  386   2HB   ARG  49          HB1       ARG  49  -8.388  -7.919   1.830
  387   1HG   ARG  49          HG2       ARG  49  -6.734  -6.834   2.872
  388   2HG   ARG  49          HG1       ARG  49  -7.969  -5.609   3.170
  389   1HD   ARG  49          HD2       ARG  49  -7.198  -5.897   5.299
  390   2HD   ARG  49          HD1       ARG  49  -8.463  -7.124   5.274
  391    HE   ARG  49           HE       ARG  49  -6.851  -8.760   5.365
  392   1HH1  ARG  49          HH11      ARG  49  -5.341  -5.684   4.698
  393   2HH1  ARG  49          HH12      ARG  49  -3.734  -6.281   4.938
  394   1HH2  ARG  49          HH21      ARG  49  -4.738  -9.545   5.681
  395   2HH2  ARG  49          HH22      ARG  49  -3.391  -8.472   5.496
  396    H    VAL  50           HN       VAL  50  -9.718  -4.587   3.581
  397    HA   VAL  50           HA       VAL  50 -10.659  -5.202   6.235
  398    HB   VAL  50           HB       VAL  50  -8.785  -3.691   5.976
  399   1HG1  VAL  50          HG11      VAL  50 -10.688  -1.711   4.747
  400   2HG1  VAL  50          HG12      VAL  50  -9.563  -2.697   3.817
  401   3HG1  VAL  50          HG13      VAL  50  -8.950  -1.527   4.984
  402   1HG2  VAL  50          HG21      VAL  50 -10.659  -3.470   7.798
  403   2HG2  VAL  50          HG22      VAL  50 -10.937  -1.917   7.011
  404   3HG2  VAL  50          HG23      VAL  50  -9.355  -2.287   7.697
  405    H    VAL  51           HN       VAL  51 -11.927  -3.667   3.365
  406    HA   VAL  51           HA       VAL  51 -14.092  -2.356   4.652
  407    HB   VAL  51           HB       VAL  51 -13.751  -3.261   1.786
  408   1HG1  VAL  51          HG11      VAL  51 -16.081  -2.057   3.168
  409   2HG1  VAL  51          HG12      VAL  51 -16.021  -3.137   1.775
  410   3HG1  VAL  51          HG13      VAL  51 -15.669  -1.421   1.575
  411   1HG2  VAL  51          HG21      VAL  51 -12.512  -1.235   3.098
  412   2HG2  VAL  51          HG22      VAL  51 -13.933  -0.408   2.462
  413   3HG2  VAL  51          HG23      VAL  51 -12.838  -1.249   1.365
  414    H    GLY  52           HN       GLY  52 -13.383  -5.597   4.257
  415   1HA   GLY  52          HA2       GLY  52 -16.225  -6.345   4.474
  416   2HA   GLY  52          HA1       GLY  52 -14.980  -7.388   3.803
  417    H    ARG  53           HN       ARG  53 -13.225  -6.228   6.155
  418    HA   ARG  53           HA       ARG  53 -14.222  -8.201   8.108
  419   1HB   ARG  53          HB2       ARG  53 -11.519  -7.443   7.175
  420   2HB   ARG  53          HB1       ARG  53 -11.674  -7.788   8.892
  421   1HG   ARG  53          HG2       ARG  53 -11.706  -9.969   8.514
  422   2HG   ARG  53          HG1       ARG  53 -13.024  -9.803   7.354
  423   1HD   ARG  53          HD2       ARG  53 -10.933  -8.867   5.903
  424   2HD   ARG  53          HD1       ARG  53 -10.128 -10.068   6.911
  425    HE   ARG  53           HE       ARG  53 -11.157 -11.708   5.702
  426   1HH1  ARG  53          HH11      ARG  53 -12.847  -8.704   5.157
  427   2HH1  ARG  53          HH12      ARG  53 -13.876  -9.361   3.929
  428   1HH2  ARG  53          HH21      ARG  53 -12.510 -12.574   4.086
  429   2HH2  ARG  53          HH22      ARG  53 -13.685 -11.558   3.322
  430    H    MET  54           HN       MET  54 -14.707  -5.156   7.738
  431    HA   MET  54           HA       MET  54 -14.994  -4.529  10.482
  432   1HB   MET  54          HB2       MET  54 -12.598  -3.466   9.040
  433   2HB   MET  54          HB1       MET  54 -13.427  -2.418  10.182
  434   1HG   MET  54          HG2       MET  54 -13.187  -4.487  11.773
  435   2HG   MET  54          HG1       MET  54 -11.881  -4.911  10.668
  436   1HE   MET  54          HE1       MET  54  -9.787  -2.845  10.144
  437   2HE   MET  54          HE2       MET  54  -9.721  -4.389  10.993
  438   3HE   MET  54          HE3       MET  54  -9.005  -2.952  11.721
  439    H    LEU  55           HN       LEU  55 -16.737  -4.556   8.370
  440    HA   LEU  55           HA       LEU  55 -17.675  -1.834   8.398
  441   1HB   LEU  55          HB2       LEU  55 -16.326  -2.888   6.081
  442   2HB   LEU  55          HB1       LEU  55 -17.999  -2.521   5.696
  443    HG   LEU  55           HG       LEU  55 -16.953  -0.350   7.209
  444   1HD1  LEU  55          HD11      LEU  55 -14.780  -1.411   6.268
  445   2HD1  LEU  55          HD12      LEU  55 -15.034   0.328   6.126
  446   3HD1  LEU  55          HD13      LEU  55 -15.318  -0.720   4.736
  447   1HD2  LEU  55          HD21      LEU  55 -18.768  -0.531   5.373
  448   2HD2  LEU  55          HD22      LEU  55 -17.426  -0.293   4.254
  449   3HD2  LEU  55          HD23      LEU  55 -17.789   0.932   5.469
  450    HA   PRO  56           HA       PRO  56 -21.095  -4.842   6.617
  451   1HB   PRO  56          HB2       PRO  56 -19.721  -7.410   7.228
  452   2HB   PRO  56          HB1       PRO  56 -20.776  -6.999   5.871
  453   1HG   PRO  56          HG2       PRO  56 -18.138  -7.240   5.536
  454   2HG   PRO  56          HG1       PRO  56 -19.065  -6.001   4.671
  455   1HD   PRO  56          HD2       PRO  56 -17.273  -5.720   7.042
  456   2HD   PRO  56          HD1       PRO  56 -17.519  -4.616   5.675
  457    H    ILE  57           HN       ILE  57 -18.865  -5.118   9.201
  458    HA   ILE  57           HA       ILE  57 -20.776  -6.230  11.060
  459    HB   ILE  57           HB       ILE  57 -18.996  -7.120  12.032
  460   1HG1  ILE  57          HG12      ILE  57 -19.008  -4.820  13.299
  461   2HG1  ILE  57          HG11      ILE  57 -17.665  -5.932  13.502
  462   1HG2  ILE  57          HG21      ILE  57 -16.779  -6.936  11.105
  463   2HG2  ILE  57          HG22      ILE  57 -17.231  -5.465  10.242
  464   3HG2  ILE  57          HG23      ILE  57 -17.973  -7.006   9.809
  465   1HD1  ILE  57          HD11      ILE  57 -17.469  -3.278  12.875
  466   2HD1  ILE  57          HD12      ILE  57 -17.254  -4.061  11.309
  467   3HD1  ILE  57          HD13      ILE  57 -16.204  -4.486  12.660
  468    H    GLN  58           HN       GLN  58 -18.812  -3.275  10.726
  469    HA   GLN  58           HA       GLN  58 -20.336  -1.987  12.846
  470   1HB   GLN  58          HB2       GLN  58 -18.380  -0.994  13.241
  471   2HB   GLN  58          HB1       GLN  58 -17.691  -1.739  11.809
  472   1HG   GLN  58          HG2       GLN  58 -18.208   0.119  10.465
  473   2HG   GLN  58          HG1       GLN  58 -19.281   0.805  11.687
  474   1HE2  GLN  58          HE21      GLN  58 -15.930  -0.375  11.568
  475   2HE2  GLN  58          HE22      GLN  58 -15.238   1.003  12.347
  476    H    GLU  59           HN       GLU  59 -19.922  -1.804   9.379
  477    HA   GLU  59           HA       GLU  59 -21.167   0.639   8.878
  478   1HB   GLU  59          HB2       GLU  59 -19.873  -0.922   7.277
  479   2HB   GLU  59          HB1       GLU  59 -21.416  -1.730   7.043
  480   1HG   GLU  59          HG2       GLU  59 -21.719   1.114   6.761
  481   2HG   GLU  59          HG1       GLU  59 -20.445   0.514   5.700
  482    H    ASN  60           HN       ASN  60 -22.450  -2.324   9.986
  483    HA   ASN  60           HA       ASN  60 -24.979  -2.425   8.969
  484   1HB   ASN  60          HB2       ASN  60 -23.727  -3.249  11.514
  485   2HB   ASN  60          HB1       ASN  60 -25.482  -3.106  11.545
  486   1HD2  ASN  60          HD21      ASN  60 -26.018  -5.212  11.635
  487   2HD2  ASN  60          HD22      ASN  60 -25.648  -6.367  10.404
  488    H    GLN  61           HN       GLN  61 -23.623  -0.086  11.120
  489    HA   GLN  61           HA       GLN  61 -24.384   1.904  11.893
  490   1HB   GLN  61          HB2       GLN  61 -25.638   1.692   9.529
  491   2HB   GLN  61          HB1       GLN  61 -27.043   1.662  10.586
  492   1HG   GLN  61          HG2       GLN  61 -24.960   3.822  10.387
  493   2HG   GLN  61          HG1       GLN  61 -26.649   3.911   9.890
  494   1HE2  GLN  61          HE21      GLN  61 -24.453   3.829  12.592
  495   2HE2  GLN  61          HE22      GLN  61 -25.572   4.401  13.777
  496    H    ALA  62           HN       ALA  62 -24.450   0.390  13.828
  497    HA   ALA  62           HA       ALA  62 -26.988   0.791  15.162
  498   1HB   ALA  62          HB1       ALA  62 -26.360  -1.715  14.020
  499   2HB   ALA  62          HB2       ALA  62 -27.731  -1.293  15.047
  500   3HB   ALA  62          HB3       ALA  62 -26.236  -1.887  15.771
  501    HA   PRO  63           HA       PRO  63 -24.059   1.728  18.374
  502   1HB   PRO  63          HB2       PRO  63 -26.324   1.427  20.238
  503   2HB   PRO  63          HB1       PRO  63 -25.312   2.835  19.918
  504   1HG   PRO  63          HG2       PRO  63 -27.856   2.706  19.073
  505   2HG   PRO  63          HG1       PRO  63 -26.595   3.523  18.132
  506   1HD   PRO  63          HD2       PRO  63 -27.819   0.824  17.722
  507   2HD   PRO  63          HD1       PRO  63 -27.350   2.046  16.522
  508    H    ALA  64           HN       ALA  64 -26.489  -0.367  19.899
  509    HA   ALA  64           HA       ALA  64 -24.574  -2.542  20.104
  510   1HB   ALA  64          HB1       ALA  64 -23.864  -1.650  22.081
  511   2HB   ALA  64          HB2       ALA  64 -25.238  -2.589  22.666
  512   3HB   ALA  64          HB3       ALA  64 -25.403  -0.852  22.404
  513    HA   PRO  65           HA       PRO  65 -29.040  -3.871  20.106
  514   1HB   PRO  65          HB2       PRO  65 -29.668  -3.799  17.455
  515   2HB   PRO  65          HB1       PRO  65 -29.889  -2.428  18.544
  516   1HG   PRO  65          HG2       PRO  65 -28.014  -2.722  16.358
  517   2HG   PRO  65          HG1       PRO  65 -28.358  -1.283  17.329
  518   1HD   PRO  65          HD2       PRO  65 -26.164  -3.224  17.574
  519   2HD   PRO  65          HD1       PRO  65 -26.298  -1.579  18.221
  520    H    ASN  66           HN       ASN  66 -27.404  -4.646  17.029
  521    HA   ASN  66           HA       ASN  66 -28.057  -7.426  17.261
  522   1HB   ASN  66          HB2       ASN  66 -26.023  -6.392  15.313
  523   2HB   ASN  66          HB1       ASN  66 -27.217  -7.667  15.100
  524   1HD2  ASN  66          HD21      ASN  66 -26.544  -5.205  13.548
  525   2HD2  ASN  66          HD22      ASN  66 -28.051  -4.384  13.351
  526    H    ILE  67           HN       ILE  67 -25.201  -5.430  17.700
  527    HA   ILE  67           HA       ILE  67 -23.953  -7.598  19.185
  528    HB   ILE  67           HB       ILE  67 -22.295  -6.130  17.148
  529   1HG1  ILE  67          HG12      ILE  67 -23.680  -8.793  16.759
  530   2HG1  ILE  67          HG11      ILE  67 -24.119  -7.292  15.950
  531   1HG2  ILE  67          HG21      ILE  67 -21.831  -8.877  18.249
  532   2HG2  ILE  67          HG22      ILE  67 -21.363  -7.443  19.163
  533   3HG2  ILE  67          HG23      ILE  67 -20.667  -7.739  17.570
  534   1HD1  ILE  67          HD11      ILE  67 -22.840  -8.614  14.441
  535   2HD1  ILE  67          HD12      ILE  67 -21.569  -8.851  15.641
  536   3HD1  ILE  67          HD13      ILE  67 -21.841  -7.252  14.950
  537    H    THR  68           HN       THR  68 -21.488  -5.497  18.665
  538    HA   THR  68           HA       THR  68 -22.334  -3.314  20.316
  539    HB   THR  68           HB       THR  68 -20.100  -4.462  21.701
  540    HG1  THR  68           HG1      THR  68 -22.429  -6.061  21.785
  541   1HG2  THR  68          HG21      THR  68 -22.539  -3.124  22.308
  542   2HG2  THR  68          HG22      THR  68 -21.109  -3.352  23.315
  543   3HG2  THR  68          HG23      THR  68 -22.391  -4.564  23.315
  544    H    GLY  69           HN       GLY  69 -21.049  -3.800  17.717
  545   1HA   GLY  69          HA2       GLY  69 -19.598  -2.387  16.541
  546   2HA   GLY  69          HA1       GLY  69 -18.876  -1.896  18.064
  547    H    ALA  70           HN       ALA  70 -17.543  -3.609  19.175
  548    HA   ALA  70           HA       ALA  70 -16.107  -5.214  17.160
  549   1HB   ALA  70          HB1       ALA  70 -14.788  -3.284  17.855
  550   2HB   ALA  70          HB2       ALA  70 -14.043  -4.789  18.393
  551   3HB   ALA  70          HB3       ALA  70 -14.930  -3.785  19.540
  552    H    LEU  71           HN       LEU  71 -16.295  -7.310  17.496
  553    HA   LEU  71           HA       LEU  71 -16.419  -9.343  18.497
  554   1HB   LEU  71          HB2       LEU  71 -15.620  -8.138  21.121
  555   2HB   LEU  71          HB1       LEU  71 -15.251  -9.726  20.478
  556    HG   LEU  71           HG       LEU  71 -14.040  -7.105  19.602
  557   1HD1  LEU  71          HD11      LEU  71 -13.375  -8.471  21.779
  558   2HD1  LEU  71          HD12      LEU  71 -12.174  -7.668  20.768
  559   3HD1  LEU  71          HD13      LEU  71 -12.453  -9.401  20.598
  560   1HD2  LEU  71          HD21      LEU  71 -13.925  -8.179  17.613
  561   2HD2  LEU  71          HD22      LEU  71 -14.104  -9.776  18.339
  562   3HD2  LEU  71          HD23      LEU  71 -12.542  -8.958  18.383
  563    H    GLU  72           HN       GLU  72 -17.276  -7.257  21.263
  564    HA   GLU  72           HA       GLU  72 -20.045  -7.544  21.071
  565   1HB   GLU  72          HB2       GLU  72 -18.639  -9.821  22.287
  566   2HB   GLU  72          HB1       GLU  72 -19.945  -9.173  23.270
  567   1HG   GLU  72          HG2       GLU  72 -21.098  -9.307  20.798
  568   2HG   GLU  72          HG1       GLU  72 -20.039 -10.717  20.798
  569    H    THR  73           HN       THR  73 -20.974  -7.462  23.556
  570    HA   THR  73           HA       THR  73 -20.160  -4.944  24.513
  571    HB   THR  73           HB       THR  73 -22.424  -5.845  24.842
  572    HG1  THR  73           HG1      THR  73 -21.232  -5.447  27.374
  573   1HG2  THR  73          HG21      THR  73 -22.978  -7.663  26.050
  574   2HG2  THR  73          HG22      THR  73 -21.616  -7.485  27.156
  575   3HG2  THR  73          HG23      THR  73 -21.367  -8.182  25.555
  576    H    GLY  74           HN       GLY  74 -19.524  -4.558  26.849
  577   1HA   GLY  74          HA2       GLY  74 -16.979  -5.644  27.320
  578   2HA   GLY  74          HA1       GLY  74 -17.912  -4.706  28.475
  579    H    ILE  75           HN       ILE  75 -17.266  -7.938  27.262
  580    HA   ILE  75           HA       ILE  75 -18.430  -9.035  29.739
  581    HB   ILE  75           HB       ILE  75 -18.719 -11.163  28.540
  582   1HG1  ILE  75          HG12      ILE  75 -18.628 -10.429  25.847
  583   2HG1  ILE  75          HG11      ILE  75 -17.147  -9.768  26.530
  584   1HG2  ILE  75          HG21      ILE  75 -20.379 -10.038  26.736
  585   2HG2  ILE  75          HG22      ILE  75 -20.087  -8.664  27.802
  586   3HG2  ILE  75          HG23      ILE  75 -20.737 -10.166  28.458
  587   1HD1  ILE  75          HD11      ILE  75 -17.495 -12.419  27.499
  588   2HD1  ILE  75          HD12      ILE  75 -16.214 -11.766  26.478
  589   3HD1  ILE  75          HD13      ILE  75 -17.681 -12.416  25.745
  590    H    GLU  76           HN       GLU  76 -17.094 -10.023  31.107
  591    HA   GLU  76           HA       GLU  76 -14.329 -10.481  30.258
  592   1HB   GLU  76          HB2       GLU  76 -15.514 -10.448  33.039
  593   2HB   GLU  76          HB1       GLU  76 -13.805 -10.575  32.648
  594   1HG   GLU  76          HG2       GLU  76 -15.459  -8.231  31.779
  595   2HG   GLU  76          HG1       GLU  76 -14.689  -8.300  33.363
  596    H    LEU  77           HN       LEU  77 -16.429 -12.298  29.462
  597    HA   LEU  77           HA       LEU  77 -16.581 -14.596  31.048
  598   1HB   LEU  77          HB2       LEU  77 -17.799 -13.883  28.819
  599   2HB   LEU  77          HB1       LEU  77 -16.521 -14.825  28.074
  600    HG   LEU  77           HG       LEU  77 -17.385 -16.577  29.957
  601   1HD1  LEU  77          HD11      LEU  77 -19.207 -14.821  30.459
  602   2HD1  LEU  77          HD12      LEU  77 -19.679 -16.511  30.281
  603   3HD1  LEU  77          HD13      LEU  77 -19.936 -15.379  28.954
  604   1HD2  LEU  77          HD21      LEU  77 -17.184 -16.553  27.290
  605   2HD2  LEU  77          HD22      LEU  77 -18.941 -16.553  27.444
  606   3HD2  LEU  77          HD23      LEU  77 -17.991 -17.843  28.181
  607    H    ILE  78           HN       ILE  78 -14.047 -13.408  29.001
  608    HA   ILE  78           HA       ILE  78 -12.659 -15.885  28.703
  609    HB   ILE  78           HB       ILE  78 -10.769 -14.507  27.926
  610   1HG1  ILE  78          HG12      ILE  78 -12.573 -12.152  28.528
  611   2HG1  ILE  78          HG11      ILE  78 -11.160 -12.600  29.479
  612   1HG2  ILE  78          HG21      ILE  78 -12.983 -15.067  26.600
  613   2HG2  ILE  78          HG22      ILE  78 -11.713 -14.066  25.895
  614   3HG2  ILE  78          HG23      ILE  78 -13.143 -13.310  26.598
  615   1HD1  ILE  78          HD11      ILE  78 -11.228 -11.629  26.638
  616   2HD1  ILE  78          HD12      ILE  78  -9.789 -12.296  27.409
  617   3HD1  ILE  78          HD13      ILE  78 -10.529 -10.826  28.043
  618    H    LYS  79           HN       LYS  79 -13.114 -13.910  31.366
  619    HA   LYS  79           HA       LYS  79 -12.232 -13.921  33.461
  620   1HB   LYS  79          HB2       LYS  79 -10.380 -16.119  32.540
  621   2HB   LYS  79          HB1       LYS  79 -10.874 -15.753  34.188
  622   1HG   LYS  79          HG2       LYS  79 -12.764 -16.676  32.037
  623   2HG   LYS  79          HG1       LYS  79 -11.971 -17.752  33.190
  624   1HD   LYS  79          HD2       LYS  79 -13.974 -17.379  34.253
  625   2HD   LYS  79          HD1       LYS  79 -12.983 -16.098  34.956
  626   1HE   LYS  79          HE2       LYS  79 -14.126 -14.455  33.905
  627   2HE   LYS  79          HE1       LYS  79 -14.385 -15.419  32.452
  628   1HZ   LYS  79          HZ1       LYS  79 -16.480 -15.081  33.479
  629   2HZ   LYS  79          HZ2       LYS  79 -15.904 -15.559  34.995
  630   3HZ   LYS  79          HZ3       LYS  79 -16.061 -16.697  33.755
  631    H    HIS  80           HN       HIS  80 -11.232 -12.154  31.501
  632    HA   HIS  80           HA       HIS  80  -8.399 -11.919  32.272
  633   1HB   HIS  80          HB2       HIS  80  -8.837 -12.146  29.832
  634   2HB   HIS  80          HB1       HIS  80  -9.789 -10.667  29.894
  635    HD1  HIS  80           HD1      HIS  80  -6.276 -11.604  31.053
  636    HD2  HIS  80           HD2      HIS  80  -8.298  -8.614  28.995
  637    HE1  HIS  80           HE1      HIS  80  -4.520  -9.919  30.421
  638    HE2  HIS  80           HE2      HIS  80  -5.781  -8.076  29.253
  639    H    LEU  81           HN       LEU  81 -10.677 -11.068  33.877
  640    HA   LEU  81           HA       LEU  81 -10.860  -8.207  33.664
  641   1HB   LEU  81          HB2       LEU  81 -12.725  -9.558  34.514
  642   2HB   LEU  81          HB1       LEU  81 -11.739 -10.072  35.869
  643    HG   LEU  81           HG       LEU  81 -11.575  -7.456  36.288
  644   1HD1  LEU  81          HD11      LEU  81 -13.365  -6.190  35.565
  645   2HD1  LEU  81          HD12      LEU  81 -14.356  -7.604  35.207
  646   3HD1  LEU  81          HD13      LEU  81 -13.014  -7.176  34.146
  647   1HD2  LEU  81          HD21      LEU  81 -12.914  -7.833  38.072
  648   2HD2  LEU  81          HD22      LEU  81 -12.753  -9.508  37.542
  649   3HD2  LEU  81          HD23      LEU  81 -14.185  -8.577  37.102
  650    H    VAL  82           HN       VAL  82  -9.401  -6.820  34.376
  651    HA   VAL  82           HA       VAL  82  -7.489  -6.021  35.350
  652    HB   VAL  82           HB       VAL  82  -7.558  -5.977  37.808
  653   1HG1  VAL  82          HG11      VAL  82  -9.206  -4.439  37.835
  654   2HG1  VAL  82          HG12      VAL  82 -10.394  -5.543  37.143
  655   3HG1  VAL  82          HG13      VAL  82  -9.227  -4.735  36.097
  656   1HG2  VAL  82          HG21      VAL  82 -10.021  -7.698  37.623
  657   2HG2  VAL  82          HG22      VAL  82  -9.189  -7.144  39.076
  658   3HG2  VAL  82          HG23      VAL  82  -8.426  -8.334  38.022