*HEADER    HORMONE/GROWTH FACTOR                   19-APR-99   1QG1              
*TITLE     GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED           
*TITLE    2 WITH AN SHC-DERIVED PEPTIDE                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GROWTH FACTOR RECEPTOR BINDING PROTEIN;                    
*COMPND   3 CHAIN: E;                                                            
*COMPND   4 FRAGMENT: SH2;                                                       
*COMPND   5 SYNONYM: GRB2-SH2;                                                   
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: RESIDUES HIS-58 - THR-159 AND THE EXTRINSIC           
*COMPND   8 N-TERMINAL TWO RESIDUES, GLY-56 AND SER-57;                          
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: SHC-DERIVED PEPTIDE;                                       
*COMPND  11 CHAIN: I;                                                            
*COMPND  12 FRAGMENT: 423-435;                                                   
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR: PGEX-4T-2;                                 
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: BL21 (DE3);                               
*SOURCE   7 EXPRESSION_SYSTEM_GENE: PROTEIN WAS EXPRESSED WITH PGEX-4T-          
*SOURCE   8 2 VECTOR AND BL21 (DE3) CELL AS GST-FUSION PROTEIN, AND              
*SOURCE   9 CLEAVED WITH TRYPSIN;                                                
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY             
*SOURCE  13 THE SOLID-PHASE FMOC STRATEGY. THE SEQUENCE OF THIS                  
*SOURCE  14 PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS (HUMAN).                  
*KEYWDS    SIGNAL TRANSDUCTION, SH2 DOMAIN, PHOSPHOTYROSYL PEPTIDE,              
*KEYWDS   2 COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE), HORMONE/GROWTH FACTOR         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    K.OGURA                                                               
*REVDAT   1   27-APR-99 1QG1    0    

remarks   GRB2 SH2 DOMAIN COMPLEXED WITH SHC-PEPTIDE
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign (segid 2GSH and resid   4 and name HD# )(segid 2GSH and resid   4 and name HB# ) 1.80 0.00 2.36 !4
assign (segid 2GSH and resid   4 and name HD# )(segid 2GSH and resid   4 and name HG# ) 1.80 0.00 2.21 !4
assign (segid 2GSH and resid   4 and name HD# )(segid 2GSH and resid   4 and name HA  ) 1.80 0.00 2.23
assign (segid 2GSH and resid   4 and name HA  )(segid 2GSH and resid   4 and name HB# ) 1.80 0.00 1.32 !4
assign (segid 2GSH and resid   4 and name HA  )(segid 2GSH and resid   4 and name HG# ) 1.80 0.00 2.10 !2
assign (segid 2GSH and resid   4 and name HD# )(segid 2GSH and resid   5 and name HD1 ) 1.80 0.00 2.29
assign (segid 2GSH and resid   4 and name HB# )(segid 2GSH and resid   5 and name HD1 ) 1.80 0.00 1.99
assign (segid 2GSH and resid   4 and name HG# )(segid 2GSH and resid   5 and name HD1 ) 1.80 0.00 2.10
assign (segid 2GSH and resid   5 and name HB# )(segid 2GSH and resid   5 and name HD1 ) 1.80 0.00 1.78 !2
assign (segid 2GSH and resid   5 and name HB# )(segid 2GSH and resid  29 and name HA  ) 1.80 0.00 1.99
assign (segid 2GSH and resid   5 and name HB# )(segid 2GSH and resid  30 and name HN  ) 1.80 0.00 2.83
assign (segid 2GSH and resid   5 and name HE3 )(segid 2GSH and resid  30 and name HG2#) 1.80 0.00 2.65
assign (segid 2GSH and resid   5 and name HE3 )(segid 2GSH and resid  30 and name HB  ) 1.80 0.00 1.88
assign (segid 2GSH and resid   5 and name HZ3 )(segid 2GSH and resid  30 and name HB  ) 1.80 0.00 1.70
assign (segid 2GSH and resid   5 and name HZ3 )(segid 2GSH and resid  30 and name HD# ) 1.80 0.00 2.61
assign (segid 2GSH and resid   5 and name HE3 )(segid 2GSH and resid  30 and name HD# ) 1.80 0.00 1.93
assign (segid 2GSH and resid   5 and name HZ2 )(segid 2GSH and resid  73 and name HB# ) 1.80 0.00 2.25
assign (segid 2GSH and resid   5 and name HZ2 )(segid 2GSH and resid  74 and name HB# ) 1.80 0.00 2.38
assign (segid 2GSH and resid   5 and name HH2 )(segid 2GSH and resid  74 and name HB# ) 1.80 0.00 2.13
assign (segid 2GSH and resid   5 and name HE1 )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 2.67
assign (segid 2GSH and resid   5 and name HB# )(segid 2GSH and resid  96 and name HN  ) 1.80 0.00 2.79
assign (segid 2GSH and resid   6 and name HA  )(segid 2GSH and resid   6 and name HD# ) 1.80 0.00 1.84 !2
assign (segid 2GSH and resid   6 and name HA  )(segid 2GSH and resid   6 and name HB# ) 1.80 0.00 2.25 !2
assign (segid 2GSH and resid   6 and name HB# )(segid 2GSH and resid   6 and name HD# ) 1.80 0.00 2.53 !2
assign (segid 2GSH and resid   6 and name HA  )(segid 2GSH and resid   7 and name HN  ) 1.80 0.00 1.13
assign (segid 2GSH and resid   6 and name HD# )(segid 2GSH and resid   8 and name HN  ) 1.80 0.00 2.65
assign (segid 2GSH and resid   6 and name HZ  )(segid 2GSH and resid   8 and name HN  ) 1.80 0.00 2.07
assign (segid 2GSH and resid   6 and name HD# )(segid 2GSH and resid  30 and name HB  ) 1.80 0.00 2.28
assign (segid 2GSH and resid   6 and name HD# )(segid 2GSH and resid  30 and name HG2#) 1.80 0.00 2.25 !2
assign (segid 2GSH and resid   6 and name HE# )(segid 2GSH and resid  32 and name HN  ) 1.80 0.00 2.24
assign (segid 2GSH and resid   6 and name HZ  )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 1.96
assign (segid 2GSH and resid   6 and name HE# )(segid 2GSH and resid  41 and name HN  ) 1.80 0.00 2.64
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid   7 and name HA  ) 1.80 0.00 1.68
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid   7 and name HB# ) 1.80 0.00 1.74 !2
assign (segid 2GSH and resid   7 and name HA  )(segid 2GSH and resid   7 and name HB# ) 1.80 0.00 1.63 !4
assign (segid 2GSH and resid   7 and name HA  )(segid 2GSH and resid   7 and name HD# ) 1.80 0.00 2.01
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid   7 and name HD# ) 1.80 0.00 2.44 !4
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid   8 and name HN  ) 1.80 0.00 1.52
assign (segid 2GSH and resid   7 and name HA  )(segid 2GSH and resid   8 and name HN  ) 1.80 0.00 1.60
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid   8 and name HN  ) 1.80 0.00 2.76 !2
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid  10 and name HG2#) 1.80 0.00 2.14 !4
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  10 and name HG2#) 1.80 0.00 2.73 !2
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid  10 and name HD# ) 1.80 0.00 2.41 !2
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  10 and name HD# ) 1.80 0.00 1.96
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  15 and name HB# ) 1.80 0.00 2.39
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 3.49
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid  29 and name HB# ) 1.80 0.00 2.90
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  29 and name HB# ) 1.80 0.00 2.54
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 3.18 !3
assign (segid 2GSH and resid   7 and name HB# )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 3.58
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid  30 and name HN  ) 1.80 0.00 2.04 !2
assign (segid 2GSH and resid   7 and name HN  )(segid 2GSH and resid  30 and name HB  ) 1.80 0.00 1.98
assign (segid 2GSH and resid   7 and name HD# )(segid 2GSH and resid  30 and name HN  ) 1.80 0.00 2.75
assign (segid 2GSH and resid   8 and name HN  )(segid 2GSH and resid   8 and name HA# ) 1.80 0.00 1.40 !2
assign (segid 2GSH and resid   8 and name HA# )(segid 2GSH and resid   9 and name HN  ) 1.80 0.00 1.53 !2
assign (segid 2GSH and resid   8 and name HA# )(segid 2GSH and resid   9 and name HE# ) 1.80 0.00 2.31
assign (segid 2GSH and resid   8 and name HN  )(segid 2GSH and resid  10 and name HN  ) 1.80 0.00 1.95
assign (segid 2GSH and resid   8 and name HN  )(segid 2GSH and resid  31 and name HA  ) 1.80 0.00 1.85
assign (segid 2GSH and resid   8 and name HA# )(segid 2GSH and resid  32 and name HN  ) 1.80 0.00 2.65
assign (segid 2GSH and resid   9 and name HN  )(segid 2GSH and resid   9 and name HA  ) 1.80 0.00 1.70
assign (segid 2GSH and resid   9 and name HN  )(segid 2GSH and resid   9 and name HB# ) 1.80 0.00 1.69 !2
assign (segid 2GSH and resid   9 and name HN  )(segid 2GSH and resid   9 and name HG# ) 1.80 0.00 2.17
assign (segid 2GSH and resid   9 and name HA  )(segid 2GSH and resid   9 and name HG# ) 1.80 0.00 2.04 !2
assign (segid 2GSH and resid   9 and name HB# )(segid 2GSH and resid   9 and name HG# ) 1.80 0.00 2.17 !3
assign (segid 2GSH and resid   9 and name HA  )(segid 2GSH and resid   9 and name HB# ) 1.80 0.00 1.96
assign (segid 2GSH and resid   9 and name HG# )(segid 2GSH and resid   9 and name HE# ) 1.80 0.00 1.90 !3
assign (segid 2GSH and resid   9 and name HG# )(segid 2GSH and resid   9 and name HD# ) 1.80 0.00 1.22 !2
assign (segid 2GSH and resid   9 and name HD# )(segid 2GSH and resid   9 and name HE# ) 1.80 0.00 1.66
assign (segid 2GSH and resid   9 and name HN  )(segid 2GSH and resid  10 and name HN  ) 1.80 0.00 2.15 !2
assign (segid 2GSH and resid   9 and name HA  )(segid 2GSH and resid  10 and name HN  ) 1.80 0.00 1.03
assign (segid 2GSH and resid   9 and name HB# )(segid 2GSH and resid  10 and name HN  ) 1.80 0.00 2.71
assign (segid 2GSH and resid   9 and name HE# )(segid 2GSH and resid  32 and name HG# ) 1.80 0.00 2.03
assign (segid 2GSH and resid   9 and name HB# )(segid 2GSH and resid  34 and name HG# ) 1.80 0.00 2.58
assign (segid 2GSH and resid   9 and name HE# )(segid 2GSH and resid  38 and name HA# ) 1.80 0.00 2.01
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  10 and name HA  ) 1.80 0.00 1.64
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  10 and name HG2#) 1.80 0.00 1.81
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  10 and name HG1#) 1.80 0.00 2.20
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  10 and name HD# ) 1.80 0.00 2.84
assign (segid 2GSH and resid  10 and name HA  )(segid 2GSH and resid  10 and name HB  ) 1.80 0.00 1.30 !2
assign (segid 2GSH and resid  10 and name HA  )(segid 2GSH and resid  10 and name HG2#) 1.80 0.00 1.66 !2
assign (segid 2GSH and resid  10 and name HA  )(segid 2GSH and resid  10 and name HG1#) 1.80 0.00 2.24 !2
assign (segid 2GSH and resid  10 and name HA  )(segid 2GSH and resid  11 and name HD# ) 1.80 0.00 1.41 !3
assign (segid 2GSH and resid  10 and name HB  )(segid 2GSH and resid  11 and name HD# ) 1.80 0.00 2.04 !3
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  11 and name HD# ) 1.80 0.00 2.76
assign (segid 2GSH and resid  10 and name HG2#)(segid 2GSH and resid  11 and name HD# ) 1.80 0.00 2.43 !2
assign (segid 2GSH and resid  10 and name HG1#)(segid 2GSH and resid  11 and name HD# ) 1.80 0.00 2.89
assign (segid 2GSH and resid  10 and name HA  )(segid 2GSH and resid  11 and name HG# ) 1.80 0.00 2.41 !2
assign (segid 2GSH and resid  10 and name HG2#)(segid 2GSH and resid  14 and name HG# ) 1.80 0.00 2.95
assign (segid 2GSH and resid  10 and name HD# )(segid 2GSH and resid  14 and name HG# ) 1.80 0.00 2.68
assign (segid 2GSH and resid  10 and name HG1#)(segid 2GSH and resid  15 and name HN  ) 1.80 0.00 2.56
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  10 and name HG2#)(segid 2GSH and resid  31 and name HA  ) 1.80 0.00 2.67
assign (segid 2GSH and resid  10 and name HG2#)(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 3.09
assign (segid 2GSH and resid  10 and name HG1#)(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 2.68
assign (segid 2GSH and resid  10 and name HD# )(segid 2GSH and resid  31 and name HE  ) 1.80 0.00 3.05
assign (segid 2GSH and resid  10 and name HN  )(segid 2GSH and resid  32 and name HN  ) 1.80 0.00 2.22
assign (segid 2GSH and resid  11 and name HD# )(segid 2GSH and resid  11 and name HA  ) 1.80 0.00 2.43
assign (segid 2GSH and resid  11 and name HA  )(segid 2GSH and resid  11 and name HB# ) 1.80 0.00 1.47 !2
assign (segid 2GSH and resid  11 and name HA  )(segid 2GSH and resid  11 and name HG# ) 1.80 0.00 1.91 !2
assign (segid 2GSH and resid  11 and name HB# )(segid 2GSH and resid  11 and name HG# ) 1.80 0.00 1.85 !2
assign (segid 2GSH and resid  11 and name HD# )(segid 2GSH and resid  11 and name HG# ) 1.80 0.00 1.88
assign (segid 2GSH and resid  11 and name HA  )(segid 2GSH and resid  12 and name HN  ) 1.80 0.00 1.20
assign (segid 2GSH and resid  11 and name HB# )(segid 2GSH and resid  12 and name HN  ) 1.80 0.00 2.50
assign (segid 2GSH and resid  11 and name HB# )(segid 2GSH and resid  13 and name HN  ) 1.80 0.00 2.64
assign (segid 2GSH and resid  11 and name HB# )(segid 2GSH and resid  14 and name HN  ) 1.80 0.00 2.39
assign (segid 2GSH and resid  11 and name HD# )(segid 2GSH and resid  14 and name HB# ) 1.80 0.00 2.17
assign (segid 2GSH and resid  11 and name HD# )(segid 2GSH and resid  14 and name HG# ) 1.80 0.00 2.65
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  12 and name HB# ) 1.80 0.00 1.78 !2
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  12 and name HG# ) 1.80 0.00 1.93 !3
assign (segid 2GSH and resid  12 and name HG# )(segid 2GSH and resid  12 and name HD# ) 1.80 0.00 2.50 !2
assign (segid 2GSH and resid  12 and name HB# )(segid 2GSH and resid  12 and name HD# ) 1.80 0.00 2.28 !2
assign (segid 2GSH and resid  12 and name HN  )(segid 2GSH and resid  13 and name HN  ) 1.80 0.00 1.89 !2
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  13 and name HN  ) 1.80 0.00 2.38
assign (segid 2GSH and resid  12 and name HB# )(segid 2GSH and resid  13 and name HN  ) 1.80 0.00 1.76
assign (segid 2GSH and resid  12 and name HG# )(segid 2GSH and resid  13 and name HN  ) 1.80 0.00 2.84
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  15 and name HN  ) 1.80 0.00 2.00
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  15 and name HB# ) 1.80 0.00 1.56 !3
assign (segid 2GSH and resid  12 and name HA  )(segid 2GSH and resid  31 and name HD# ) 1.80 0.00 1.83
assign (segid 2GSH and resid  12 and name HB# )(segid 2GSH and resid  31 and name HD# ) 1.80 0.00 2.84
assign (segid 2GSH and resid  12 and name HN  )(segid 2GSH and resid  34 and name HN  ) 1.80 0.00 2.40
assign (segid 2GSH and resid  12 and name HD# )(segid 1SHC and resid   2 and name HA  ) 1.80 0.00 4.20
assign (segid 2GSH and resid  12 and name HD# )(segid 1SHC and resid   3 and name HG# ) 1.80 0.00 4.34
assign (segid 2GSH and resid  13 and name HA  )(segid 2GSH and resid  13 and name HB# ) 1.80 0.00 1.01 !2
assign (segid 2GSH and resid  13 and name HN  )(segid 2GSH and resid  14 and name HN  ) 1.80 0.00 1.53 !2
assign (segid 2GSH and resid  13 and name HB# )(segid 2GSH and resid  14 and name HN  ) 1.80 0.00 1.96
assign (segid 2GSH and resid  13 and name HA  )(segid 2GSH and resid  16 and name HN  ) 1.80 0.00 1.69
assign (segid 2GSH and resid  13 and name HA  )(segid 2GSH and resid  16 and name HB# ) 1.80 0.00 1.30 !3
assign (segid 2GSH and resid  13 and name HA  )(segid 2GSH and resid  16 and name HG# ) 1.80 0.00 2.07
assign (segid 2GSH and resid  13 and name HB# )(segid 2GSH and resid  16 and name HB# ) 1.80 0.00 2.64
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  14 and name HB# ) 1.80 0.00 1.41 !2
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  14 and name HE# ) 1.80 0.00 2.13
assign (segid 2GSH and resid  14 and name HB# )(segid 2GSH and resid  14 and name HE# ) 1.80 0.00 2.56
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  14 and name HG# ) 1.80 0.00 1.69
assign (segid 2GSH and resid  14 and name HB# )(segid 2GSH and resid  14 and name HG# ) 1.80 0.00 1.43
assign (segid 2GSH and resid  14 and name HG# )(segid 2GSH and resid  14 and name HD# ) 1.80 0.00 1.13 !2
assign (segid 2GSH and resid  14 and name HG# )(segid 2GSH and resid  14 and name HE# ) 1.80 0.00 1.75
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  14 and name HD# ) 1.80 0.00 1.49
assign (segid 2GSH and resid  14 and name HB# )(segid 2GSH and resid  14 and name HD# ) 1.80 0.00 2.00
assign (segid 2GSH and resid  14 and name HD# )(segid 2GSH and resid  14 and name HE# ) 1.80 0.00 1.67
assign (segid 2GSH and resid  14 and name HN  )(segid 2GSH and resid  15 and name HN  ) 1.80 0.00 1.08 !2
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  15 and name HN  ) 1.80 0.00 2.05
assign (segid 2GSH and resid  14 and name HB# )(segid 2GSH and resid  15 and name HN  ) 1.80 0.00 1.77
assign (segid 2GSH and resid  14 and name HN  )(segid 2GSH and resid  16 and name HN  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  17 and name HN  ) 1.80 0.00 1.45
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  17 and name HB# ) 1.80 0.00 1.35 !2
assign (segid 2GSH and resid  14 and name HD# )(segid 2GSH and resid  17 and name HB# ) 1.80 0.00 2.61
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  17 and name HG# ) 1.80 0.00 2.22 !2
assign (segid 2GSH and resid  14 and name HA  )(segid 2GSH and resid  18 and name HN  ) 1.80 0.00 2.31
assign (segid 2GSH and resid  14 and name HG# )(segid 2GSH and resid  18 and name HN  ) 1.80 0.00 2.67
assign (segid 2GSH and resid  14 and name HG# )(segid 2GSH and resid  18 and name HG# ) 1.80 0.00 2.71
assign (segid 2GSH and resid  15 and name HA  )(segid 2GSH and resid  15 and name HB# ) 1.80 0.00 1.27
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  16 and name HN  ) 1.80 0.00 1.79
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  16 and name HG# ) 1.80 0.00 2.84
assign (segid 2GSH and resid  15 and name HA  )(segid 2GSH and resid  18 and name HB# ) 1.80 0.00 1.62 !2
assign (segid 2GSH and resid  15 and name HN  )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 2.92
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 2.10 !4
assign (segid 2GSH and resid  15 and name HA  )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 2.32
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 2.71
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  31 and name HD# ) 1.80 0.00 2.30 !2
assign (segid 2GSH and resid  15 and name HB# )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 2.99
assign (segid 2GSH and resid  16 and name HA  )(segid 2GSH and resid  16 and name HB# ) 1.80 0.00 1.78 !3
assign (segid 2GSH and resid  16 and name HA  )(segid 2GSH and resid  16 and name HG# ) 1.80 0.00 1.96 !3
assign (segid 2GSH and resid  16 and name HB# )(segid 2GSH and resid  16 and name HG# ) 1.80 0.00 2.21 !3
assign (segid 2GSH and resid  16 and name HN  )(segid 2GSH and resid  17 and name HN  ) 1.80 0.00 1.31
assign (segid 2GSH and resid  16 and name HG# )(segid 2GSH and resid  17 and name HN  ) 1.80 0.00 2.72
assign (segid 2GSH and resid  16 and name HA  )(segid 2GSH and resid  19 and name HB# ) 1.80 0.00 2.17
assign (segid 2GSH and resid  16 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.56
assign (segid 2GSH and resid  16 and name HA  )(segid 2GSH and resid  50 and name HB  ) 1.80 0.00 1.82
assign (segid 2GSH and resid  16 and name HA  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 1.80 !3
assign (segid 2GSH and resid  16 and name HB# )(segid 2GSH and resid  50 and name HB  ) 1.80 0.00 2.41
assign (segid 2GSH and resid  16 and name HB# )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.31 !3
assign (segid 2GSH and resid  16 and name HG# )(segid 2GSH and resid  50 and name HB  ) 1.80 0.00 2.13 !2
assign (segid 2GSH and resid  16 and name HG# )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.17 !3
assign (segid 2GSH and resid  17 and name HA  )(segid 2GSH and resid  17 and name HB# ) 1.80 0.00 1.10 !2
assign (segid 2GSH and resid  17 and name HB# )(segid 2GSH and resid  17 and name HG# ) 1.80 0.00 1.40
assign (segid 2GSH and resid  17 and name HA  )(segid 2GSH and resid  17 and name HG# ) 1.80 0.00 1.54 !2
assign (segid 2GSH and resid  17 and name HN  )(segid 2GSH and resid  18 and name HN  ) 1.80 0.00 1.56
assign (segid 2GSH and resid  17 and name HB# )(segid 2GSH and resid  18 and name HN  ) 1.80 0.00 1.58
assign (segid 2GSH and resid  17 and name HB# )(segid 2GSH and resid  18 and name HG# ) 1.80 0.00 2.80
assign (segid 2GSH and resid  17 and name HB# )(segid 2GSH and resid  18 and name HE# ) 1.80 0.00 2.21
assign (segid 2GSH and resid  17 and name HN  )(segid 2GSH and resid  19 and name HN  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  18 and name HA  )(segid 2GSH and resid  18 and name HB# ) 1.80 0.00 1.52 !4
assign (segid 2GSH and resid  18 and name HA  )(segid 2GSH and resid  18 and name HE# ) 1.80 0.00 2.13 !2
assign (segid 2GSH and resid  18 and name HB# )(segid 2GSH and resid  18 and name HG# ) 1.80 0.00 1.76 !4
assign (segid 2GSH and resid  18 and name HA  )(segid 2GSH and resid  18 and name HG# ) 1.80 0.00 1.62 !2
assign (segid 2GSH and resid  18 and name HG# )(segid 2GSH and resid  18 and name HE# ) 1.80 0.00 1.90 !5
assign (segid 2GSH and resid  18 and name HB# )(segid 2GSH and resid  19 and name HN  ) 1.80 0.00 1.85
assign (segid 2GSH and resid  18 and name HA  )(segid 2GSH and resid  21 and name HN  ) 1.80 0.00 1.58
assign (segid 2GSH and resid  18 and name HE# )(segid 2GSH and resid  21 and name HG# ) 1.80 0.00 1.74
assign (segid 2GSH and resid  18 and name HE# )(segid 2GSH and resid  21 and name HE# ) 1.80 0.00 1.36
assign (segid 2GSH and resid  18 and name HB# )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 3.73 !2
assign (segid 2GSH and resid  18 and name HB# )(segid 2GSH and resid  96 and name HD# ) 1.80 0.00 2.84
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  19 and name HB# ) 1.80 0.00 1.88 !3
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  19 and name HG  ) 1.80 0.00 1.56 !2
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  19 and name HD* ) 1.80 0.00 1.72 !4
assign (segid 2GSH and resid  19 and name HB# )(segid 2GSH and resid  19 and name HD* ) 1.80 0.00 2.42 !5
assign (segid 2GSH and resid  19 and name HG  )(segid 2GSH and resid  19 and name HD* ) 1.80 0.00 1.42 !3
assign (segid 2GSH and resid  19 and name HB# )(segid 2GSH and resid  20 and name HN  ) 1.80 0.00 1.97 !2
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  20 and name HN  ) 1.80 0.00 3.72
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  22 and name HN  ) 1.80 0.00 1.73
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  22 and name HN  ) 1.80 0.00 3.66
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  22 and name HB# ) 1.80 0.00 2.19
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  22 and name HG# ) 1.80 0.00 1.85 !2
assign (segid 2GSH and resid  19 and name HB# )(segid 2GSH and resid  22 and name HB# ) 1.80 0.00 2.87
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  22 and name HG# ) 1.80 0.00 2.99 !3
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 3.57
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 2.45 !3
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  28 and name HN  ) 1.80 0.00 3.59
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  28 and name HA  ) 1.80 0.00 2.32 !3
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 3.64
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 2.74 !2
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  44 and name HA  ) 1.80 0.00 2.68 !3
assign (segid 2GSH and resid  19 and name HB# )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 2.33 !2
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 2.80
assign (segid 2GSH and resid  19 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.42 !2
assign (segid 2GSH and resid  19 and name HB# )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 1.96 !3
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.84 !3
assign (segid 2GSH and resid  19 and name HG  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.12
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  96 and name HG2#) 1.80 0.00 2.12 !2
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  96 and name HG1#) 1.80 0.00 3.66
assign (segid 2GSH and resid  19 and name HA  )(segid 2GSH and resid  96 and name HD# ) 1.80 0.00 1.75
assign (segid 2GSH and resid  19 and name HD* )(segid 2GSH and resid  96 and name HD# ) 1.80 0.00 2.40
assign (segid 2GSH and resid  20 and name HA  )(segid 2GSH and resid  20 and name HB# ) 1.80 0.00 1.41
assign (segid 2GSH and resid  20 and name HN  )(segid 2GSH and resid  21 and name HN  ) 1.80 0.00 1.37 !2
assign (segid 2GSH and resid  20 and name HN  )(segid 2GSH and resid  22 and name HN  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  20 and name HA  )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 2.15
assign (segid 2GSH and resid  20 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.64
assign (segid 2GSH and resid  20 and name HA  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.31 !2
assign (segid 2GSH and resid  20 and name HB# )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.47
assign (segid 2GSH and resid  21 and name HA  )(segid 2GSH and resid  21 and name HB# ) 1.80 0.00 1.53 !3
assign (segid 2GSH and resid  21 and name HA  )(segid 2GSH and resid  21 and name HG# ) 1.80 0.00 1.52 !3
assign (segid 2GSH and resid  21 and name HB# )(segid 2GSH and resid  21 and name HG# ) 1.80 0.00 1.99 !2
assign (segid 2GSH and resid  21 and name HG# )(segid 2GSH and resid  21 and name HE# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  21 and name HG# )(segid 2GSH and resid  21 and name HD# ) 1.80 0.00 2.76
assign (segid 2GSH and resid  21 and name HD# )(segid 2GSH and resid  21 and name HE# ) 1.80 0.00 2.90
assign (segid 2GSH and resid  21 and name HN  )(segid 2GSH and resid  22 and name HN  ) 1.80 0.00 1.15 !2
assign (segid 2GSH and resid  21 and name HA  )(segid 2GSH and resid  22 and name HN  ) 1.80 0.00 1.54
assign (segid 2GSH and resid  21 and name HN  )(segid 2GSH and resid  22 and name HB# ) 1.80 0.00 2.60
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  22 and name HG# ) 1.80 0.00 2.25 !2
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  22 and name HE# ) 1.80 0.00 3.39
assign (segid 2GSH and resid  22 and name HG# )(segid 2GSH and resid  22 and name HE# ) 1.80 0.00 2.57 !4
assign (segid 2GSH and resid  22 and name HA  )(segid 2GSH and resid  23 and name HN  ) 1.80 0.00 1.06
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  23 and name HN  ) 1.80 0.00 1.93
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  24 and name HN  ) 1.80 0.00 1.82
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 2.88
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 1.68
assign (segid 2GSH and resid  22 and name HG# )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 2.13 !2
assign (segid 2GSH and resid  22 and name HN  )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 2.79
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  45 and name HG# ) 1.80 0.00 2.91
assign (segid 2GSH and resid  22 and name HB# )(segid 2GSH and resid  45 and name HD# ) 1.80 0.00 2.54
assign (segid 2GSH and resid  22 and name HE# )(segid 2GSH and resid  96 and name HG2#) 1.80 0.00 3.15
assign (segid 2GSH and resid  22 and name HE# )(segid 2GSH and resid  97 and name HN  ) 1.80 0.00 1.96 !4
assign (segid 2GSH and resid  23 and name HN  )(segid 2GSH and resid  23 and name HB# ) 1.80 0.00 1.73
assign (segid 2GSH and resid  23 and name HN  )(segid 2GSH and resid  23 and name HG# ) 1.80 0.00 1.84
assign (segid 2GSH and resid  23 and name HA  )(segid 2GSH and resid  23 and name HB# ) 1.80 0.00 1.27 !2
assign (segid 2GSH and resid  23 and name HB# )(segid 2GSH and resid  23 and name HG# ) 1.80 0.00 1.35 !3
assign (segid 2GSH and resid  23 and name HB# )(segid 2GSH and resid  23 and name HD# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  23 and name HG# )(segid 2GSH and resid  23 and name HD# ) 1.80 0.00 1.13 !2
assign (segid 2GSH and resid  23 and name HN  )(segid 2GSH and resid  24 and name HN  ) 1.80 0.00 1.27 !2
assign (segid 2GSH and resid  23 and name HB# )(segid 2GSH and resid  24 and name HN  ) 1.80 0.00 2.00
assign (segid 2GSH and resid  23 and name HG# )(segid 2GSH and resid  24 and name HD2 ) 1.80 0.00 2.30
assign (segid 2GSH and resid  23 and name HA  )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 2.16
assign (segid 2GSH and resid  24 and name HN  )(segid 2GSH and resid  24 and name HA  ) 1.80 0.00 1.42
assign (segid 2GSH and resid  24 and name HN  )(segid 2GSH and resid  24 and name HB# ) 1.80 0.00 1.47
assign (segid 2GSH and resid  24 and name HA  )(segid 2GSH and resid  24 and name HB# ) 1.80 0.00 1.04
assign (segid 2GSH and resid  24 and name HB# )(segid 2GSH and resid  24 and name HD2 ) 1.80 0.00 1.72
assign (segid 2GSH and resid  24 and name HA  )(segid 2GSH and resid  25 and name HN  ) 1.80 0.00 0.75
assign (segid 2GSH and resid  24 and name HB# )(segid 2GSH and resid  25 and name HN  ) 1.80 0.00 1.73
assign (segid 2GSH and resid  24 and name HN  )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  24 and name HB# )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 2.75
assign (segid 2GSH and resid  24 and name HB# )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 2.93
assign (segid 2GSH and resid  24 and name HD2 )(segid 2GSH and resid  94 and name HB# ) 1.80 0.00 2.34
assign (segid 2GSH and resid  24 and name HD2 )(segid 2GSH and resid  94 and name HD# ) 1.80 0.00 2.34
assign (segid 2GSH and resid  24 and name HD2 )(segid 2GSH and resid  95 and name HN  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  25 and name HN  )(segid 2GSH and resid  25 and name HA  ) 1.80 0.00 1.43
assign (segid 2GSH and resid  25 and name HN  )(segid 2GSH and resid  25 and name HB# ) 1.80 0.00 1.41
assign (segid 2GSH and resid  25 and name HA  )(segid 2GSH and resid  25 and name HB# ) 1.80 0.00 1.59 !2
assign (segid 2GSH and resid  25 and name HN  )(segid 2GSH and resid  26 and name HN  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  25 and name HA  )(segid 2GSH and resid  26 and name HN  ) 1.80 0.00 1.01
assign (segid 2GSH and resid  25 and name HB# )(segid 2GSH and resid  26 and name HN  ) 1.80 0.00 2.24
assign (segid 2GSH and resid  25 and name HA  )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  25 and name HB# )(segid 2GSH and resid  46 and name HD# ) 1.80 0.00 2.45
assign (segid 2GSH and resid  26 and name HN  )(segid 2GSH and resid  26 and name HA# ) 1.80 0.00 1.68
assign (segid 2GSH and resid  26 and name HN  )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 1.27 !2
assign (segid 2GSH and resid  26 and name HA# )(segid 2GSH and resid  27 and name HN  ) 1.80 0.00 2.06
assign (segid 2GSH and resid  26 and name HN  )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 2.44
assign (segid 2GSH and resid  26 and name HN  )(segid 2GSH and resid  45 and name HB# ) 1.80 0.00 2.42
assign (segid 2GSH and resid  26 and name HN  )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 2.54
assign (segid 2GSH and resid  26 and name HA# )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 2.26 !4
assign (segid 2GSH and resid  26 and name HA# )(segid 2GSH and resid  92 and name HN  ) 1.80 0.00 2.84
assign (segid 2GSH and resid  26 and name HA# )(segid 2GSH and resid  93 and name HA  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  26 and name HA# )(segid 2GSH and resid  94 and name HN  ) 1.80 0.00 2.46
assign (segid 2GSH and resid  27 and name HN  )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 1.37
assign (segid 2GSH and resid  27 and name HA  )(segid 2GSH and resid  27 and name HB# ) 1.80 0.00 1.19 !2
assign (segid 2GSH and resid  27 and name HA  )(segid 2GSH and resid  28 and name HN  ) 1.80 0.00 1.15
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  28 and name HN  ) 1.80 0.00 2.53
assign (segid 2GSH and resid  27 and name HN  )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 2.39
assign (segid 2GSH and resid  27 and name HN  )(segid 2GSH and resid  45 and name HB# ) 1.80 0.00 1.85 !2
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  45 and name HB# ) 1.80 0.00 1.71
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 2.46
assign (segid 2GSH and resid  27 and name HA  )(segid 2GSH and resid  94 and name HN  ) 1.80 0.00 1.79
assign (segid 2GSH and resid  27 and name HA  )(segid 2GSH and resid  94 and name HB# ) 1.80 0.00 1.89 !3
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  96 and name HA  ) 1.80 0.00 1.76 !2
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  96 and name HG2#) 1.80 0.00 1.96 !2
assign (segid 2GSH and resid  27 and name HB# )(segid 2GSH and resid  96 and name HG1#) 1.80 0.00 2.07
assign (segid 2GSH and resid  28 and name HN  )(segid 2GSH and resid  28 and name HA  ) 1.80 0.00 1.91
assign (segid 2GSH and resid  28 and name HN  )(segid 2GSH and resid  28 and name HB# ) 1.80 0.00 2.41
assign (segid 2GSH and resid  28 and name HN  )(segid 2GSH and resid  28 and name HD# ) 1.80 0.00 2.23
assign (segid 2GSH and resid  28 and name HA  )(segid 2GSH and resid  28 and name HB# ) 1.80 0.00 1.58 !4
assign (segid 2GSH and resid  28 and name HA  )(segid 2GSH and resid  29 and name HN  ) 1.80 0.00 1.07
assign (segid 2GSH and resid  28 and name HB# )(segid 2GSH and resid  29 and name HN  ) 1.80 0.00 1.60
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  29 and name HN  ) 1.80 0.00 2.89
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  29 and name HA  ) 1.80 0.00 2.26
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  30 and name HD# ) 1.80 0.00 3.11
assign (segid 2GSH and resid  28 and name HB# )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 3.17 !3
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 3.47
assign (segid 2GSH and resid  28 and name HA  )(segid 2GSH and resid  44 and name HA  ) 1.80 0.00 1.06 !2
assign (segid 2GSH and resid  28 and name HB# )(segid 2GSH and resid  44 and name HA  ) 1.80 0.00 1.92 !2
assign (segid 2GSH and resid  28 and name HB# )(segid 2GSH and resid  44 and name HB  ) 1.80 0.00 2.30
assign (segid 2GSH and resid  28 and name HA  )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 1.95
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 2.72
assign (segid 2GSH and resid  28 and name HA  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.86 !2
assign (segid 2GSH and resid  28 and name HB# )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.51 !3
assign (segid 2GSH and resid  28 and name HD# )(segid 2GSH and resid  94 and name HN  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  29 and name HA  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  29 and name HA  )(segid 2GSH and resid  29 and name HB# ) 1.80 0.00 1.42
assign (segid 2GSH and resid  29 and name HB# )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 2.80
assign (segid 2GSH and resid  29 and name HG  )(segid 2GSH and resid  29 and name HD* ) 1.80 0.00 2.99
assign (segid 2GSH and resid  29 and name HA  )(segid 2GSH and resid  30 and name HN  ) 1.80 0.00 1.16
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  30 and name HG1#) 1.80 0.00 2.54
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  31 and name HN  ) 1.80 0.00 3.05
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  31 and name HA  ) 1.80 0.00 2.88
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 2.80 !2
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  31 and name HD# ) 1.80 0.00 3.10
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 2.32 !2
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  43 and name HN  ) 1.80 0.00 1.58 !2
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 2.80 !2
assign (segid 2GSH and resid  29 and name HG  )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 2.29 !2
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 2.57
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  44 and name HA  ) 1.80 0.00 2.12
assign (segid 2GSH and resid  29 and name HA  )(segid 2GSH and resid  96 and name HD# ) 1.80 0.00 2.11
assign (segid 2GSH and resid  29 and name HD* )(segid 2GSH and resid  96 and name HD# ) 1.80 0.00 2.61
assign (segid 2GSH and resid  30 and name HN  )(segid 2GSH and resid  30 and name HA  ) 1.80 0.00 1.83
assign (segid 2GSH and resid  30 and name HN  )(segid 2GSH and resid  30 and name HB  ) 1.80 0.00 1.35
assign (segid 2GSH and resid  30 and name HN  )(segid 2GSH and resid  30 and name HG2#) 1.80 0.00 2.87
assign (segid 2GSH and resid  30 and name HN  )(segid 2GSH and resid  30 and name HG1#) 1.80 0.00 2.29 !2
assign (segid 2GSH and resid  30 and name HA  )(segid 2GSH and resid  30 and name HG2#) 1.80 0.00 1.85
assign (segid 2GSH and resid  30 and name HA  )(segid 2GSH and resid  30 and name HG1#) 1.80 0.00 1.75 !5
assign (segid 2GSH and resid  30 and name HB  )(segid 2GSH and resid  30 and name HD# ) 1.80 0.00 1.89
assign (segid 2GSH and resid  30 and name HG2#)(segid 2GSH and resid  31 and name HN  ) 1.80 0.00 1.92
assign (segid 2GSH and resid  30 and name HG1#)(segid 2GSH and resid  31 and name HN  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  30 and name HG2#)(segid 2GSH and resid  40 and name HB# ) 1.80 0.00 2.68
assign (segid 2GSH and resid  30 and name HG2#)(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.49
assign (segid 2GSH and resid  30 and name HG1#)(segid 2GSH and resid  42 and name HA  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  30 and name HG1#)(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 2.82 !2
assign (segid 2GSH and resid  30 and name HG1#)(segid 2GSH and resid  43 and name HN  ) 1.80 0.00 2.87
assign (segid 2GSH and resid  30 and name HG2#)(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 3.98
assign (segid 2GSH and resid  30 and name HG2#)(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 2.71 !4
assign (segid 2GSH and resid  30 and name HD# )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 2.20
assign (segid 2GSH and resid  31 and name HN  )(segid 2GSH and resid  31 and name HA  ) 1.80 0.00 1.80
assign (segid 2GSH and resid  31 and name HA  )(segid 2GSH and resid  31 and name HB# ) 1.80 0.00 1.70 !3
assign (segid 2GSH and resid  31 and name HB# )(segid 2GSH and resid  31 and name HD# ) 1.80 0.00 2.82
assign (segid 2GSH and resid  31 and name HD# )(segid 2GSH and resid  31 and name HE  ) 1.80 0.00 2.11 !2
assign (segid 2GSH and resid  31 and name HA  )(segid 2GSH and resid  32 and name HN  ) 1.80 0.00 1.08
assign (segid 2GSH and resid  31 and name HB# )(segid 2GSH and resid  32 and name HN  ) 1.80 0.00 2.17
assign (segid 2GSH and resid  31 and name HN  )(segid 2GSH and resid  41 and name HN  ) 1.80 0.00 1.76 !2
assign (segid 2GSH and resid  32 and name HN  )(segid 2GSH and resid  32 and name HA  ) 1.80 0.00 1.37
assign (segid 2GSH and resid  32 and name HN  )(segid 2GSH and resid  32 and name HB# ) 1.80 0.00 1.71 !2
assign (segid 2GSH and resid  32 and name HA  )(segid 2GSH and resid  32 and name HG# ) 1.80 0.00 2.03 !3
assign (segid 2GSH and resid  32 and name HB# )(segid 2GSH and resid  32 and name HG# ) 1.80 0.00 1.91 !4
assign (segid 2GSH and resid  32 and name HA  )(segid 2GSH and resid  33 and name HN  ) 1.80 0.00 1.29
assign (segid 2GSH and resid  32 and name HG# )(segid 2GSH and resid  33 and name HN  ) 1.80 0.00 2.85
assign (segid 2GSH and resid  32 and name HG# )(segid 2GSH and resid  38 and name HN  ) 1.80 0.00 2.85
assign (segid 2GSH and resid  32 and name HA  )(segid 2GSH and resid  40 and name HA  ) 1.80 0.00 1.40 !2
assign (segid 2GSH and resid  32 and name HA  )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.36
assign (segid 2GSH and resid  32 and name HG# )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.79
assign (segid 2GSH and resid  32 and name HA  )(segid 2GSH and resid  41 and name HN  ) 1.80 0.00 2.30
assign (segid 2GSH and resid  33 and name HN  )(segid 2GSH and resid  33 and name HA  ) 1.80 0.00 2.23
assign (segid 2GSH and resid  33 and name HN  )(segid 2GSH and resid  33 and name HB# ) 1.80 0.00 1.96 !2
assign (segid 2GSH and resid  33 and name HA  )(segid 2GSH and resid  34 and name HN  ) 1.80 0.00 1.41
assign (segid 2GSH and resid  33 and name HB# )(segid 2GSH and resid  36 and name HN  ) 1.80 0.00 2.50
assign (segid 2GSH and resid  33 and name HB# )(segid 2GSH and resid  36 and name HB# ) 1.80 0.00 2.56 !2
assign (segid 2GSH and resid  33 and name HN  )(segid 2GSH and resid  39 and name HN  ) 1.80 0.00 2.38
assign (segid 2GSH and resid  33 and name HB# )(segid 2GSH and resid  39 and name HN  ) 1.80 0.00 2.31 !2
assign (segid 2GSH and resid  33 and name HN  )(segid 2GSH and resid  40 and name HA  ) 1.80 0.00 1.73
assign (segid 2GSH and resid  34 and name HN  )(segid 2GSH and resid  34 and name HB# ) 1.80 0.00 2.02
assign (segid 2GSH and resid  34 and name HA  )(segid 2GSH and resid  34 and name HG# ) 1.80 0.00 1.66 !3
assign (segid 2GSH and resid  34 and name HA  )(segid 2GSH and resid  34 and name HB# ) 1.80 0.00 1.81
assign (segid 2GSH and resid  34 and name HN  )(segid 2GSH and resid  35 and name HN  ) 1.80 0.00 1.74 !2
assign (segid 2GSH and resid  34 and name HN  )(segid 2GSH and resid  36 and name HN  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  35 and name HA  )(segid 2GSH and resid  35 and name HB# ) 1.80 0.00 1.52 !2
assign (segid 2GSH and resid  35 and name HN  )(segid 2GSH and resid  36 and name HN  ) 1.80 0.00 1.49
assign (segid 2GSH and resid  35 and name HA  )(segid 2GSH and resid  36 and name HN  ) 1.80 0.00 1.81
assign (segid 2GSH and resid  36 and name HN  )(segid 2GSH and resid  36 and name HA  ) 1.80 0.00 1.28
assign (segid 2GSH and resid  36 and name HN  )(segid 2GSH and resid  36 and name HB# ) 1.80 0.00 1.59
assign (segid 2GSH and resid  36 and name HA  )(segid 2GSH and resid  36 and name HB# ) 1.80 0.00 1.29 !2
assign (segid 2GSH and resid  36 and name HB# )(segid 2GSH and resid  37 and name HD# ) 1.80 0.00 2.93 !2
assign (segid 2GSH and resid  36 and name HA  )(segid 2GSH and resid  37 and name HD# ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  36 and name HB# )(segid 2GSH and resid  38 and name HA# ) 1.80 0.00 2.80
assign (segid 2GSH and resid  36 and name HB# )(segid 2GSH and resid  39 and name HN  ) 1.80 0.00 2.38
assign (segid 2GSH and resid  36 and name HB# )(segid 2GSH and resid  39 and name HB# ) 1.80 0.00 2.22 !4
assign (segid 2GSH and resid  37 and name HD# )(segid 2GSH and resid  37 and name HB# ) 1.80 0.00 2.88
assign (segid 2GSH and resid  37 and name HD# )(segid 2GSH and resid  37 and name HG# ) 1.80 0.00 2.20
assign (segid 2GSH and resid  37 and name HD# )(segid 2GSH and resid  37 and name HA  ) 1.80 0.00 2.34
assign (segid 2GSH and resid  37 and name HA  )(segid 2GSH and resid  37 and name HB# ) 1.80 0.00 1.39 !4
assign (segid 2GSH and resid  37 and name HA  )(segid 2GSH and resid  37 and name HG# ) 1.80 0.00 1.94
assign (segid 2GSH and resid  37 and name HB# )(segid 2GSH and resid  37 and name HG# ) 1.80 0.00 1.97
assign (segid 2GSH and resid  38 and name HN  )(segid 2GSH and resid  38 and name HA# ) 1.80 0.00 1.65
assign (segid 2GSH and resid  38 and name HN  )(segid 2GSH and resid  39 and name HN  ) 1.80 0.00 1.36 !2
assign (segid 2GSH and resid  38 and name HA# )(segid 2GSH and resid  39 and name HN  ) 1.80 0.00 2.03 !2
assign (segid 2GSH and resid  39 and name HN  )(segid 2GSH and resid  39 and name HA  ) 1.80 0.00 1.46
assign (segid 2GSH and resid  39 and name HN  )(segid 2GSH and resid  39 and name HB# ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  39 and name HA  )(segid 2GSH and resid  39 and name HB# ) 1.80 0.00 1.66 !3
assign (segid 2GSH and resid  39 and name HA  )(segid 2GSH and resid  40 and name HN  ) 1.80 0.00 1.53
assign (segid 2GSH and resid  39 and name HB# )(segid 2GSH and resid  40 and name HN  ) 1.80 0.00 2.53
assign (segid 2GSH and resid  39 and name HB# )(segid 2GSH and resid  54 and name HE# ) 1.80 0.00 2.21 !3
assign (segid 2GSH and resid  40 and name HN  )(segid 2GSH and resid  40 and name HA  ) 1.80 0.00 2.10
assign (segid 2GSH and resid  40 and name HN  )(segid 2GSH and resid  40 and name HB# ) 1.80 0.00 2.59
assign (segid 2GSH and resid  40 and name HN  )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.67
assign (segid 2GSH and resid  40 and name HA  )(segid 2GSH and resid  40 and name HB# ) 1.80 0.00 1.98 !3
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.47 !2
assign (segid 2GSH and resid  40 and name HA  )(segid 2GSH and resid  40 and name HD# ) 1.80 0.00 2.25
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  41 and name HN  ) 1.80 0.00 1.93 !2
assign (segid 2GSH and resid  40 and name HN  )(segid 2GSH and resid  55 and name HB  ) 1.80 0.00 2.32
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  55 and name HN  ) 1.80 0.00 2.74
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  55 and name HB  ) 1.80 0.00 2.01 !3
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 3.22 !3
assign (segid 2GSH and resid  40 and name HD# )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.78
assign (segid 2GSH and resid  40 and name HD# )(segid 2GSH and resid  63 and name HE# ) 1.80 0.00 2.49
assign (segid 2GSH and resid  40 and name HE# )(segid 2GSH and resid  63 and name HE# ) 1.80 0.00 2.56 !2
assign (segid 2GSH and resid  40 and name HB# )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.53
assign (segid 2GSH and resid  40 and name HE# )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.65
assign (segid 2GSH and resid  41 and name HN  )(segid 2GSH and resid  41 and name HB# ) 1.80 0.00 2.04 !2
assign (segid 2GSH and resid  41 and name HA  )(segid 2GSH and resid  41 and name HB# ) 1.80 0.00 1.84 !3
assign (segid 2GSH and resid  41 and name HB# )(segid 2GSH and resid  42 and name HN  ) 1.80 0.00 2.18
assign (segid 2GSH and resid  41 and name HA  )(segid 2GSH and resid  54 and name HA  ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  41 and name HA  )(segid 2GSH and resid  55 and name HN  ) 1.80 0.00 1.56
assign (segid 2GSH and resid  41 and name HN  )(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 3.59
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  42 and name HB# ) 1.80 0.00 1.72 !2
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 3.44
assign (segid 2GSH and resid  42 and name HA  )(segid 2GSH and resid  42 and name HB# ) 1.80 0.00 1.89 !3
assign (segid 2GSH and resid  42 and name HA  )(segid 2GSH and resid  42 and name HG  ) 1.80 0.00 1.75 !2
assign (segid 2GSH and resid  42 and name HA  )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 2.27 !2
assign (segid 2GSH and resid  42 and name HB# )(segid 2GSH and resid  42 and name HG  ) 1.80 0.00 2.02 !2
assign (segid 2GSH and resid  42 and name HB# )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 2.79 !4
assign (segid 2GSH and resid  42 and name HG  )(segid 2GSH and resid  42 and name HD* ) 1.80 0.00 2.42 !3
assign (segid 2GSH and resid  42 and name HA  )(segid 2GSH and resid  43 and name HN  ) 1.80 0.00 1.04
assign (segid 2GSH and resid  42 and name HG  )(segid 2GSH and resid  43 and name HN  ) 1.80 0.00 2.08
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  43 and name HN  ) 1.80 0.00 2.52 !2
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  44 and name HB  ) 1.80 0.00 3.18
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  53 and name HN  ) 1.80 0.00 1.84 !2
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  53 and name HB# ) 1.80 0.00 2.48 !2
assign (segid 2GSH and resid  42 and name HB# )(segid 2GSH and resid  53 and name HN  ) 1.80 0.00 2.55
assign (segid 2GSH and resid  42 and name HB# )(segid 2GSH and resid  53 and name HB# ) 1.80 0.00 2.70 !2
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  53 and name HB# ) 1.80 0.00 3.50
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  53 and name HD# ) 1.80 0.00 3.48
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  54 and name HA  ) 1.80 0.00 2.08
assign (segid 2GSH and resid  42 and name HB# )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 3.55
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 4.48
assign (segid 2GSH and resid  42 and name HD* )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.89 !5
assign (segid 2GSH and resid  43 and name HN  )(segid 2GSH and resid  43 and name HA  ) 1.80 0.00 1.73
assign (segid 2GSH and resid  43 and name HN  )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 1.95 !2
assign (segid 2GSH and resid  43 and name HA  )(segid 2GSH and resid  43 and name HB# ) 1.80 0.00 1.77 !4
assign (segid 2GSH and resid  43 and name HA  )(segid 2GSH and resid  44 and name HN  ) 1.80 0.00 0.98
assign (segid 2GSH and resid  43 and name HB# )(segid 2GSH and resid  44 and name HN  ) 1.80 0.00 2.18 !2
assign (segid 2GSH and resid  43 and name HA  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.63
assign (segid 2GSH and resid  43 and name HA  )(segid 2GSH and resid  52 and name HA  ) 1.80 0.00 1.27 !2
assign (segid 2GSH and resid  43 and name HA  )(segid 2GSH and resid  53 and name HN  ) 1.80 0.00 2.06
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  44 and name HA  ) 1.80 0.00 1.68
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  44 and name HB  ) 1.80 0.00 1.52
assign (segid 2GSH and resid  44 and name HA  )(segid 2GSH and resid  44 and name HB  ) 1.80 0.00 1.30 !2
assign (segid 2GSH and resid  44 and name HA  )(segid 2GSH and resid  44 and name HG* ) 1.80 0.00 2.13
assign (segid 2GSH and resid  44 and name HB  )(segid 2GSH and resid  44 and name HG* ) 1.80 0.00 1.57
assign (segid 2GSH and resid  44 and name HA  )(segid 2GSH and resid  45 and name HN  ) 1.80 0.00 0.96
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.20 !2
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  51 and name HN  ) 1.80 0.00 1.63 !2
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  52 and name HA  ) 1.80 0.00 1.81
assign (segid 2GSH and resid  44 and name HG* )(segid 2GSH and resid  53 and name HD# ) 1.80 0.00 3.32
assign (segid 2GSH and resid  44 and name HG* )(segid 2GSH and resid  53 and name HZ  ) 1.80 0.00 3.09
assign (segid 2GSH and resid  44 and name HB  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.80
assign (segid 2GSH and resid  45 and name HN  )(segid 2GSH and resid  45 and name HB# ) 1.80 0.00 1.51 !2
assign (segid 2GSH and resid  45 and name HB# )(segid 2GSH and resid  45 and name HD# ) 1.80 0.00 2.37
assign (segid 2GSH and resid  45 and name HD# )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 2.01
assign (segid 2GSH and resid  45 and name HB# )(segid 2GSH and resid  45 and name HE# ) 1.80 0.00 1.96
assign (segid 2GSH and resid  45 and name HB# )(segid 2GSH and resid  46 and name HN  ) 1.80 0.00 2.70
assign (segid 2GSH and resid  45 and name HG# )(segid 2GSH and resid  46 and name HN  ) 1.80 0.00 2.04
assign (segid 2GSH and resid  45 and name HG# )(segid 2GSH and resid  47 and name HN  ) 1.80 0.00 2.75
assign (segid 2GSH and resid  45 and name HD# )(segid 2GSH and resid  47 and name HN  ) 1.80 0.00 2.61
assign (segid 2GSH and resid  45 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 3.66
assign (segid 2GSH and resid  45 and name HA  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.91 !2
assign (segid 2GSH and resid  45 and name HG# )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.78
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  46 and name HB# ) 1.80 0.00 1.89
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  46 and name HD# ) 1.80 0.00 2.85
assign (segid 2GSH and resid  46 and name HA  )(segid 2GSH and resid  46 and name HB# ) 1.80 0.00 1.35 !2
assign (segid 2GSH and resid  46 and name HA  )(segid 2GSH and resid  46 and name HD# ) 1.80 0.00 1.56
assign (segid 2GSH and resid  46 and name HB# )(segid 2GSH and resid  46 and name HD# ) 1.80 0.00 1.85
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  47 and name HN  ) 1.80 0.00 2.17 !2
assign (segid 2GSH and resid  46 and name HA  )(segid 2GSH and resid  47 and name HN  ) 1.80 0.00 0.91
assign (segid 2GSH and resid  46 and name HD# )(segid 2GSH and resid  47 and name HN  ) 1.80 0.00 2.40
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  49 and name HN  ) 1.80 0.00 1.98
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  51 and name HN  ) 1.80 0.00 2.32 !2
assign (segid 2GSH and resid  46 and name HB# )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 2.68 !2
assign (segid 2GSH and resid  46 and name HB# )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 2.21 !2
assign (segid 2GSH and resid  46 and name HD# )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 2.62
assign (segid 2GSH and resid  46 and name HD# )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 2.34
assign (segid 2GSH and resid  46 and name HE# )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 2.78
assign (segid 2GSH and resid  46 and name HZ  )(segid 2GSH and resid  92 and name HA  ) 1.80 0.00 2.62
assign (segid 2GSH and resid  46 and name HE# )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.68
assign (segid 2GSH and resid  47 and name HN  )(segid 2GSH and resid  47 and name HA# ) 1.80 0.00 1.38 !2
assign (segid 2GSH and resid  47 and name HN  )(segid 2GSH and resid  48 and name HN  ) 1.80 0.00 2.18
assign (segid 2GSH and resid  47 and name HA# )(segid 2GSH and resid  48 and name HN  ) 1.80 0.00 1.62 !2
assign (segid 2GSH and resid  47 and name HA# )(segid 2GSH and resid  49 and name HN  ) 1.80 0.00 2.45
assign (segid 2GSH and resid  48 and name HN  )(segid 2GSH and resid  48 and name HB# ) 1.80 0.00 1.82 !2
assign (segid 2GSH and resid  48 and name HA  )(segid 2GSH and resid  48 and name HB# ) 1.80 0.00 1.25 !3
assign (segid 2GSH and resid  48 and name HB# )(segid 2GSH and resid  48 and name HD# ) 1.80 0.00 2.37 !3
assign (segid 2GSH and resid  48 and name HN  )(segid 2GSH and resid  49 and name HN  ) 1.80 0.00 1.47 !2
assign (segid 2GSH and resid  48 and name HA  )(segid 2GSH and resid  49 and name HN  ) 1.80 0.00 1.41
assign (segid 2GSH and resid  48 and name HB# )(segid 2GSH and resid  49 and name HN  ) 1.80 0.00 2.50
assign (segid 2GSH and resid  49 and name HN  )(segid 2GSH and resid  49 and name HA  ) 1.80 0.00 1.33
assign (segid 2GSH and resid  49 and name HN  )(segid 2GSH and resid  49 and name HB# ) 1.80 0.00 1.35
assign (segid 2GSH and resid  49 and name HA  )(segid 2GSH and resid  49 and name HB# ) 1.80 0.00 1.11 !2
assign (segid 2GSH and resid  49 and name HA  )(segid 2GSH and resid  50 and name HN  ) 1.80 0.00 0.87
assign (segid 2GSH and resid  49 and name HB# )(segid 2GSH and resid  50 and name HN  ) 1.80 0.00 1.48
assign (segid 2GSH and resid  50 and name HN  )(segid 2GSH and resid  50 and name HA  ) 1.80 0.00 1.46
assign (segid 2GSH and resid  50 and name HN  )(segid 2GSH and resid  50 and name HB  ) 1.80 0.00 1.18
assign (segid 2GSH and resid  50 and name HN  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 2.28 !2
assign (segid 2GSH and resid  50 and name HA  )(segid 2GSH and resid  50 and name HB  ) 1.80 0.00 1.46
assign (segid 2GSH and resid  50 and name HA  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 1.98
assign (segid 2GSH and resid  50 and name HB  )(segid 2GSH and resid  50 and name HG* ) 1.80 0.00 1.88 !2
assign (segid 2GSH and resid  50 and name HA  )(segid 2GSH and resid  51 and name HN  ) 1.80 0.00 0.83
assign (segid 2GSH and resid  50 and name HG* )(segid 2GSH and resid  51 and name HN  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  51 and name HN  )(segid 2GSH and resid  51 and name HA  ) 1.80 0.00 1.59
assign (segid 2GSH and resid  51 and name HN  )(segid 2GSH and resid  51 and name HB# ) 1.80 0.00 1.63 !2
assign (segid 2GSH and resid  51 and name HA  )(segid 2GSH and resid  51 and name HB# ) 1.80 0.00 1.79 !2
assign (segid 2GSH and resid  51 and name HA  )(segid 2GSH and resid  51 and name HG# ) 1.80 0.00 1.53 !2
assign (segid 2GSH and resid  51 and name HG# )(segid 2GSH and resid  51 and name HE# ) 1.80 0.00 2.44 !2
assign (segid 2GSH and resid  51 and name HA  )(segid 2GSH and resid  52 and name HN  ) 1.80 0.00 0.97
assign (segid 2GSH and resid  51 and name HB# )(segid 2GSH and resid  52 and name HN  ) 1.80 0.00 1.95 !2
assign (segid 2GSH and resid  51 and name HG# )(segid 2GSH and resid  52 and name HN  ) 1.80 0.00 2.43
assign (segid 2GSH and resid  51 and name HE# )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 4.03
assign (segid 2GSH and resid  51 and name HA  )(segid 1SHC and resid   6 and name HA  ) 1.80 0.00 4.17
assign (segid 2GSH and resid  51 and name HA  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.31
assign (segid 2GSH and resid  51 and name HB# )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.52
assign (segid 2GSH and resid  51 and name HG# )(segid 1SHC and resid   6 and name HA  ) 1.80 0.00 2.21
assign (segid 2GSH and resid  51 and name HG# )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.39 !2
assign (segid 2GSH and resid  52 and name HN  )(segid 2GSH and resid  52 and name HA  ) 1.80 0.00 1.76
assign (segid 2GSH and resid  52 and name HN  )(segid 2GSH and resid  52 and name HB# ) 1.80 0.00 1.85 !2
assign (segid 2GSH and resid  52 and name HA  )(segid 2GSH and resid  52 and name HB# ) 1.80 0.00 2.06 !3
assign (segid 2GSH and resid  52 and name HA  )(segid 2GSH and resid  53 and name HN  ) 1.80 0.00 1.11
assign (segid 2GSH and resid  52 and name HB# )(segid 2GSH and resid  53 and name HN  ) 1.80 0.00 2.44
assign (segid 2GSH and resid  52 and name HA  )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 3.65
assign (segid 2GSH and resid  52 and name HB# )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 3.78
assign (segid 2GSH and resid  52 and name HE1 )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 3.59
assign (segid 2GSH and resid  52 and name HN  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 2.72
assign (segid 2GSH and resid  53 and name HN  )(segid 2GSH and resid  53 and name HA  ) 1.80 0.00 1.99
assign (segid 2GSH and resid  53 and name HN  )(segid 2GSH and resid  53 and name HB# ) 1.80 0.00 2.05 !2
assign (segid 2GSH and resid  53 and name HA  )(segid 2GSH and resid  54 and name HN  ) 1.80 0.00 1.15
assign (segid 2GSH and resid  53 and name HA  )(segid 2GSH and resid  65 and name HB# ) 1.80 0.00 2.43
assign (segid 2GSH and resid  53 and name HB# )(segid 2GSH and resid  65 and name HA  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  53 and name HB# )(segid 2GSH and resid  65 and name HB# ) 1.80 0.00 2.46
assign (segid 2GSH and resid  53 and name HB# )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 3.14 !2
assign (segid 2GSH and resid  53 and name HD# )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 3.59
assign (segid 2GSH and resid  53 and name HD# )(segid 2GSH and resid  66 and name HE1 ) 1.80 0.00 2.75
assign (segid 2GSH and resid  53 and name HE# )(segid 2GSH and resid  66 and name HE1 ) 1.80 0.00 2.26
assign (segid 2GSH and resid  53 and name HZ  )(segid 2GSH and resid  85 and name HG* ) 1.80 0.00 2.80
assign (segid 2GSH and resid  53 and name HA  )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 2.81
assign (segid 2GSH and resid  53 and name HA  )(segid 1SHC and resid   5 and name HB# ) 1.80 0.00 1.66
assign (segid 2GSH and resid  53 and name HB# )(segid 1SHC and resid   5 and name HB# ) 1.80 0.00 4.83
assign (segid 2GSH and resid  53 and name HN  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.57
assign (segid 2GSH and resid  53 and name HA  )(segid 1SHC and resid   6 and name HA  ) 1.80 0.00 3.68
assign (segid 2GSH and resid  53 and name HA  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 2.90
assign (segid 2GSH and resid  53 and name HD# )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.51 !3
assign (segid 2GSH and resid  53 and name HB# )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 5.02
assign (segid 2GSH and resid  53 and name HD# )(segid 1SHC and resid   7 and name HA  ) 1.80 0.00 3.77
assign (segid 2GSH and resid  53 and name HD# )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 4.34 !2
assign (segid 2GSH and resid  53 and name HA  )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 4.70 !2
assign (segid 2GSH and resid  53 and name HD# )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 6.12
assign (segid 2GSH and resid  54 and name HN  )(segid 2GSH and resid  54 and name HB# ) 1.80 0.00 1.92
assign (segid 2GSH and resid  54 and name HA  )(segid 2GSH and resid  54 and name HB# ) 1.80 0.00 1.86
assign (segid 2GSH and resid  54 and name HA  )(segid 2GSH and resid  54 and name HD# ) 1.80 0.00 2.18
assign (segid 2GSH and resid  54 and name HG# )(segid 2GSH and resid  54 and name HD# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  54 and name HB# )(segid 2GSH and resid  54 and name HD# ) 1.80 0.00 2.69 !2
assign (segid 2GSH and resid  54 and name HD# )(segid 2GSH and resid  54 and name HE# ) 1.80 0.00 2.10 !8
assign (segid 2GSH and resid  54 and name HA  )(segid 2GSH and resid  55 and name HN  ) 1.80 0.00 1.05
assign (segid 2GSH and resid  54 and name HB# )(segid 2GSH and resid  56 and name HD* ) 1.80 0.00 2.11
assign (segid 2GSH and resid  54 and name HG# )(segid 2GSH and resid  56 and name HD* ) 1.80 0.00 2.72
assign (segid 2GSH and resid  54 and name HD# )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 4.44
assign (segid 2GSH and resid  54 and name HN  )(segid 1SHC and resid   7 and name HN  ) 1.80 0.00 2.39
assign (segid 2GSH and resid  54 and name HN  )(segid 1SHC and resid   7 and name HD# ) 1.80 0.00 2.23
assign (segid 2GSH and resid  54 and name HA  )(segid 1SHC and resid   8 and name HB  ) 1.80 0.00 3.53
assign (segid 2GSH and resid  54 and name HB# )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 2.82
assign (segid 2GSH and resid  54 and name HG# )(segid 1SHC and resid   8 and name HA  ) 1.80 0.00 4.38
assign (segid 2GSH and resid  54 and name HG# )(segid 1SHC and resid   8 and name HB  ) 1.80 0.00 4.32
assign (segid 2GSH and resid  54 and name HG# )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 4.64
assign (segid 2GSH and resid  54 and name HD# )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 2.77 !2
assign (segid 2GSH and resid  54 and name HG# )(segid 1SHC and resid   9 and name HG# ) 1.80 0.00 5.14
assign (segid 2GSH and resid  55 and name HN  )(segid 2GSH and resid  55 and name HA  ) 1.80 0.00 1.87
assign (segid 2GSH and resid  55 and name HN  )(segid 2GSH and resid  55 and name HB  ) 1.80 0.00 1.35
assign (segid 2GSH and resid  55 and name HN  )(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 2.15 !2
assign (segid 2GSH and resid  55 and name HA  )(segid 2GSH and resid  55 and name HB  ) 1.80 0.00 1.68 !2
assign (segid 2GSH and resid  55 and name HA  )(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 1.94 !2
assign (segid 2GSH and resid  55 and name HB  )(segid 2GSH and resid  55 and name HG* ) 1.80 0.00 1.92 !3
assign (segid 2GSH and resid  55 and name HA  )(segid 2GSH and resid  56 and name HN  ) 1.80 0.00 1.22
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  56 and name HN  ) 1.80 0.00 3.13
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  56 and name HA  ) 1.80 0.00 3.07
assign (segid 2GSH and resid  55 and name HA  )(segid 2GSH and resid  56 and name HG  ) 1.80 0.00 1.81
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  63 and name HB# ) 1.80 0.00 3.36 !2
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.42
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 2.76
assign (segid 2GSH and resid  55 and name HN  )(segid 2GSH and resid  65 and name HB# ) 1.80 0.00 2.28
assign (segid 2GSH and resid  55 and name HA  )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 2.22
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 4.03
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.08 !2
assign (segid 2GSH and resid  55 and name HG* )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.89
assign (segid 2GSH and resid  56 and name HN  )(segid 2GSH and resid  56 and name HA  ) 1.80 0.00 1.98
assign (segid 2GSH and resid  56 and name HN  )(segid 2GSH and resid  56 and name HB# ) 1.80 0.00 1.91
assign (segid 2GSH and resid  56 and name HN  )(segid 2GSH and resid  56 and name HG  ) 1.80 0.00 1.58
assign (segid 2GSH and resid  56 and name HA  )(segid 2GSH and resid  56 and name HB# ) 1.80 0.00 2.04 !3
assign (segid 2GSH and resid  56 and name HB# )(segid 2GSH and resid  56 and name HG  ) 1.80 0.00 2.28
assign (segid 2GSH and resid  56 and name HB# )(segid 2GSH and resid  56 and name HD* ) 1.80 0.00 3.01 !2
assign (segid 2GSH and resid  56 and name HG  )(segid 2GSH and resid  56 and name HD* ) 1.80 0.00 1.77 !2
assign (segid 2GSH and resid  56 and name HA  )(segid 2GSH and resid  56 and name HD* ) 1.80 0.00 1.93
assign (segid 2GSH and resid  56 and name HA  )(segid 2GSH and resid  57 and name HN  ) 1.80 0.00 1.00
assign (segid 2GSH and resid  56 and name HB# )(segid 2GSH and resid  57 and name HN  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  56 and name HN  )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 1.84 !2
assign (segid 2GSH and resid  56 and name HB# )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 2.52
assign (segid 2GSH and resid  56 and name HG  )(segid 2GSH and resid  64 and name HB# ) 1.80 0.00 2.45
assign (segid 2GSH and resid  56 and name HB# )(segid 2GSH and resid  64 and name HE# ) 1.80 0.00 2.85
assign (segid 2GSH and resid  56 and name HD* )(segid 2GSH and resid  64 and name HE# ) 1.80 0.00 2.98
assign (segid 2GSH and resid  56 and name HG  )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 2.30
assign (segid 2GSH and resid  57 and name HN  )(segid 2GSH and resid  57 and name HA  ) 1.80 0.00 1.77
assign (segid 2GSH and resid  57 and name HN  )(segid 2GSH and resid  57 and name HB# ) 1.80 0.00 1.71 !2
assign (segid 2GSH and resid  57 and name HA  )(segid 2GSH and resid  57 and name HG# ) 1.80 0.00 2.15
assign (segid 2GSH and resid  57 and name HA  )(segid 2GSH and resid  57 and name HD# ) 1.80 0.00 1.65
assign (segid 2GSH and resid  57 and name HB# )(segid 2GSH and resid  57 and name HG# ) 1.80 0.00 2.22 !2
assign (segid 2GSH and resid  57 and name HB# )(segid 2GSH and resid  57 and name HD# ) 1.80 0.00 2.57 !2
assign (segid 2GSH and resid  57 and name HG# )(segid 2GSH and resid  57 and name HD# ) 1.80 0.00 2.18 !2
assign (segid 2GSH and resid  57 and name HD# )(segid 2GSH and resid  57 and name HE  ) 1.80 0.00 2.18
assign (segid 2GSH and resid  57 and name HD# )(segid 2GSH and resid  61 and name HA# ) 1.80 0.00 2.88
assign (segid 2GSH and resid  57 and name HA  )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.43
assign (segid 2GSH and resid  57 and name HD# )(segid 2GSH and resid  63 and name HA  ) 1.80 0.00 1.88
assign (segid 2GSH and resid  57 and name HD# )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.35 !2
assign (segid 2GSH and resid  57 and name HD# )(segid 2GSH and resid  63 and name HE# ) 1.80 0.00 2.50
assign (segid 2GSH and resid  57 and name HA  )(segid 2GSH and resid  64 and name HE# ) 1.80 0.00 2.45
assign (segid 2GSH and resid  58 and name HA  )(segid 2GSH and resid  58 and name HB# ) 1.80 0.00 1.62
assign (segid 2GSH and resid  58 and name HB# )(segid 2GSH and resid  59 and name HN  ) 1.80 0.00 2.86
assign (segid 2GSH and resid  58 and name HB# )(segid 2GSH and resid  60 and name HN  ) 1.80 0.00 2.53
assign (segid 2GSH and resid  58 and name HN  )(segid 2GSH and resid  61 and name HN  ) 1.80 0.00 1.70
assign (segid 2GSH and resid  58 and name HN  )(segid 2GSH and resid  62 and name HN  ) 1.80 0.00 1.74 !2
assign (segid 2GSH and resid  58 and name HN  )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 2.87
assign (segid 2GSH and resid  58 and name HB# )(segid 2GSH and resid  64 and name HE# ) 1.80 0.00 2.59 !2
assign (segid 2GSH and resid  59 and name HA# )(segid 2GSH and resid  60 and name HN  ) 1.80 0.00 2.23
assign (segid 2GSH and resid  60 and name HN  )(segid 2GSH and resid  60 and name HA  ) 1.80 0.00 1.52
assign (segid 2GSH and resid  60 and name HN  )(segid 2GSH and resid  60 and name HB# ) 1.80 0.00 1.48
assign (segid 2GSH and resid  60 and name HA  )(segid 2GSH and resid  60 and name HB# ) 1.80 0.00 1.00 !2
assign (segid 2GSH and resid  60 and name HN  )(segid 2GSH and resid  61 and name HN  ) 1.80 0.00 1.12 !2
assign (segid 2GSH and resid  60 and name HN  )(segid 2GSH and resid  61 and name HA# ) 1.80 0.00 2.75 !2
assign (segid 2GSH and resid  60 and name HA  )(segid 2GSH and resid  61 and name HN  ) 1.80 0.00 1.72
assign (segid 2GSH and resid  60 and name HB# )(segid 2GSH and resid  61 and name HN  ) 1.80 0.00 2.19
assign (segid 2GSH and resid  60 and name HN  )(segid 2GSH and resid  62 and name HN  ) 1.80 0.00 1.92
assign (segid 2GSH and resid  61 and name HN  )(segid 2GSH and resid  61 and name HA# ) 1.80 0.00 1.55 !2
assign (segid 2GSH and resid  61 and name HN  )(segid 2GSH and resid  62 and name HN  ) 1.80 0.00 1.29 !2
assign (segid 2GSH and resid  61 and name HA# )(segid 2GSH and resid  62 and name HN  ) 1.80 0.00 2.63
assign (segid 2GSH and resid  62 and name HN  )(segid 2GSH and resid  62 and name HB# ) 1.80 0.00 1.76 !2
assign (segid 2GSH and resid  62 and name HA  )(segid 2GSH and resid  62 and name HB# ) 1.80 0.00 2.13
assign (segid 2GSH and resid  62 and name HA  )(segid 2GSH and resid  63 and name HN  ) 1.80 0.00 1.27
assign (segid 2GSH and resid  62 and name HB# )(segid 2GSH and resid  63 and name HN  ) 1.80 0.00 1.79 !2
assign (segid 2GSH and resid  62 and name HA  )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.29
assign (segid 2GSH and resid  62 and name HB# )(segid 2GSH and resid  69 and name HB# ) 1.80 0.00 2.79 !2
assign (segid 2GSH and resid  62 and name HA  )(segid 2GSH and resid  71 and name HA  ) 1.80 0.00 1.86 !2
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  63 and name HA  ) 1.80 0.00 1.94
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  63 and name HB# ) 1.80 0.00 1.85 !2
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 1.80
assign (segid 2GSH and resid  63 and name HA  )(segid 2GSH and resid  63 and name HB# ) 1.80 0.00 2.01 !2
assign (segid 2GSH and resid  63 and name HA  )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 1.93 !2
assign (segid 2GSH and resid  63 and name HB# )(segid 2GSH and resid  63 and name HD# ) 1.80 0.00 2.11 !3
assign (segid 2GSH and resid  63 and name HA  )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 1.04
assign (segid 2GSH and resid  63 and name HB# )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 2.58
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  64 and name HN  ) 1.80 0.00 2.75
assign (segid 2GSH and resid  63 and name HA  )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 2.33
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  69 and name HB# ) 1.80 0.00 2.44
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  70 and name HN  ) 1.80 0.00 1.99 !2
assign (segid 2GSH and resid  63 and name HB# )(segid 2GSH and resid  70 and name HB# ) 1.80 0.00 2.78
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  71 and name HD# ) 1.80 0.00 3.25 !2
assign (segid 2GSH and resid  63 and name HB# )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 2.77
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 2.31
assign (segid 2GSH and resid  63 and name HE# )(segid 2GSH and resid  72 and name HA  ) 1.80 0.00 1.58
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  72 and name HA  ) 1.80 0.00 1.93
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.22 !2
assign (segid 2GSH and resid  63 and name HE# )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.36 !3
assign (segid 2GSH and resid  63 and name HB# )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.27 !2
assign (segid 2GSH and resid  63 and name HD# )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.01
assign (segid 2GSH and resid  64 and name HN  )(segid 2GSH and resid  64 and name HA  ) 1.80 0.00 1.70
assign (segid 2GSH and resid  64 and name HN  )(segid 2GSH and resid  64 and name HB# ) 1.80 0.00 2.64
assign (segid 2GSH and resid  64 and name HN  )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 1.85
assign (segid 2GSH and resid  64 and name HA  )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 2.12
assign (segid 2GSH and resid  64 and name HA  )(segid 2GSH and resid  64 and name HB# ) 1.80 0.00 1.81 !2
assign (segid 2GSH and resid  64 and name HB# )(segid 2GSH and resid  64 and name HD# ) 1.80 0.00 2.23 !4
assign (segid 2GSH and resid  64 and name HA  )(segid 2GSH and resid  69 and name HA  ) 1.80 0.00 1.62 !2
assign (segid 2GSH and resid  64 and name HB# )(segid 2GSH and resid  69 and name HA  ) 1.80 0.00 1.71 !3
assign (segid 2GSH and resid  64 and name HD# )(segid 2GSH and resid  69 and name HA  ) 1.80 0.00 2.19 !2
assign (segid 2GSH and resid  64 and name HA  )(segid 2GSH and resid  70 and name HD# ) 1.80 0.00 2.26
assign (segid 2GSH and resid  64 and name HN  )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.24
assign (segid 2GSH and resid  64 and name HA  )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 2.41 !2
assign (segid 2GSH and resid  65 and name HA  )(segid 2GSH and resid  65 and name HB# ) 1.80 0.00 1.91 !2
assign (segid 2GSH and resid  65 and name HB# )(segid 2GSH and resid  65 and name HG  ) 1.80 0.00 2.17
assign (segid 2GSH and resid  65 and name HB# )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 3.14 !5
assign (segid 2GSH and resid  65 and name HG  )(segid 2GSH and resid  65 and name HD* ) 1.80 0.00 2.07
assign (segid 2GSH and resid  65 and name HD* )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.13
assign (segid 2GSH and resid  65 and name HD* )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 6.35 !2
assign (segid 2GSH and resid  66 and name HA  )(segid 2GSH and resid  66 and name HB# ) 1.80 0.00 1.68 !3
assign (segid 2GSH and resid  66 and name HA  )(segid 2GSH and resid  66 and name HE3 ) 1.80 0.00 1.43 !2
assign (segid 2GSH and resid  66 and name HB# )(segid 2GSH and resid  66 and name HD1 ) 1.80 0.00 2.21 !4
assign (segid 2GSH and resid  66 and name HB# )(segid 2GSH and resid  67 and name HN  ) 1.80 0.00 1.78
assign (segid 2GSH and resid  66 and name HZ2 )(segid 2GSH and resid  86 and name HA  ) 1.80 0.00 1.93 !2
assign (segid 2GSH and resid  66 and name HE1 )(segid 2GSH and resid  86 and name HA  ) 1.80 0.00 2.19
assign (segid 2GSH and resid  66 and name HB# )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 4.36
assign (segid 2GSH and resid  66 and name HZ2 )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 2.61 !3
assign (segid 2GSH and resid  66 and name HZ3 )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 5.06
assign (segid 2GSH and resid  66 and name HH2 )(segid 1SHC and resid   6 and name HA  ) 1.80 0.00 3.73
assign (segid 2GSH and resid  66 and name HH2 )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 2.77
assign (segid 2GSH and resid  66 and name HE3 )(segid 1SHC and resid   7 and name HA  ) 1.80 0.00 3.64
assign (segid 2GSH and resid  66 and name HZ2 )(segid 1SHC and resid   7 and name HA  ) 1.80 0.00 2.83
assign (segid 2GSH and resid  66 and name HZ2 )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 4.29 !2
assign (segid 2GSH and resid  66 and name HZ3 )(segid 1SHC and resid   7 and name HA  ) 1.80 0.00 2.62
assign (segid 2GSH and resid  66 and name HZ3 )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 4.16 !2
assign (segid 2GSH and resid  66 and name HH2 )(segid 1SHC and resid   7 and name HA  ) 1.80 0.00 1.73
assign (segid 2GSH and resid  66 and name HH2 )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 3.86 !2
assign (segid 2GSH and resid  67 and name HN  )(segid 2GSH and resid  67 and name HA  ) 1.80 0.00 2.00
assign (segid 2GSH and resid  67 and name HN  )(segid 2GSH and resid  67 and name HB  ) 1.80 0.00 1.76
assign (segid 2GSH and resid  67 and name HN  )(segid 2GSH and resid  67 and name HG* ) 1.80 0.00 2.90
assign (segid 2GSH and resid  67 and name HA  )(segid 2GSH and resid  67 and name HB  ) 1.80 0.00 1.58 !2
assign (segid 2GSH and resid  67 and name HA  )(segid 2GSH and resid  67 and name HG* ) 1.80 0.00 2.08 !3
assign (segid 2GSH and resid  67 and name HN  )(segid 2GSH and resid  68 and name HN  ) 1.80 0.00 1.61
assign (segid 2GSH and resid  67 and name HA  )(segid 2GSH and resid  68 and name HN  ) 1.80 0.00 2.19
assign (segid 2GSH and resid  67 and name HB  )(segid 2GSH and resid  68 and name HN  ) 1.80 0.00 1.48
assign (segid 2GSH and resid  68 and name HN  )(segid 2GSH and resid  68 and name HA  ) 1.80 0.00 1.54
assign (segid 2GSH and resid  68 and name HN  )(segid 2GSH and resid  68 and name HB  ) 1.80 0.00 1.39
assign (segid 2GSH and resid  68 and name HN  )(segid 2GSH and resid  68 and name HG* ) 1.80 0.00 3.22
assign (segid 2GSH and resid  68 and name HA  )(segid 2GSH and resid  68 and name HB  ) 1.80 0.00 1.40
assign (segid 2GSH and resid  68 and name HA  )(segid 2GSH and resid  68 and name HG* ) 1.80 0.00 1.90 !2
assign (segid 2GSH and resid  68 and name HB  )(segid 2GSH and resid  68 and name HG* ) 1.80 0.00 1.68 !2
!assign (segid 2GSH and resid  68 and name HN  )(segid 2GSH and resid  69 and name HN  ) 1.80 0.00 2.30
assign (segid 2GSH and resid  68 and name HA  )(segid 2GSH and resid  69 and name HN  ) 1.80 0.00 0.78
assign (segid 2GSH and resid  68 and name HB  )(segid 2GSH and resid  69 and name HN  ) 1.80 0.00 2.11
assign (segid 2GSH and resid  68 and name HG* )(segid 2GSH and resid  69 and name HN  ) 1.80 0.00 2.30
assign (segid 2GSH and resid  68 and name HG* )(segid 2GSH and resid  79 and name HE# ) 1.80 0.00 3.33
assign (segid 2GSH and resid  69 and name HN  )(segid 2GSH and resid  69 and name HA  ) 1.80 0.00 1.72
assign (segid 2GSH and resid  69 and name HN  )(segid 2GSH and resid  69 and name HB# ) 1.80 0.00 1.56 !2
assign (segid 2GSH and resid  69 and name HA  )(segid 2GSH and resid  69 and name HB# ) 1.80 0.00 1.82 !3
assign (segid 2GSH and resid  69 and name HA  )(segid 2GSH and resid  70 and name HN  ) 1.80 0.00 1.51
assign (segid 2GSH and resid  69 and name HB# )(segid 2GSH and resid  70 and name HN  ) 1.80 0.00 2.72
assign (segid 2GSH and resid  69 and name HB# )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.62
assign (segid 2GSH and resid  70 and name HN  )(segid 2GSH and resid  70 and name HD# ) 1.80 0.00 2.40
assign (segid 2GSH and resid  70 and name HA  )(segid 2GSH and resid  70 and name HB# ) 1.80 0.00 1.58 !2
assign (segid 2GSH and resid  70 and name HA  )(segid 2GSH and resid  70 and name HD# ) 1.80 0.00 1.56
assign (segid 2GSH and resid  70 and name HB# )(segid 2GSH and resid  70 and name HD# ) 1.80 0.00 2.18 !4
assign (segid 2GSH and resid  70 and name HB# )(segid 2GSH and resid  71 and name HN  ) 1.80 0.00 2.19 !2
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  71 and name HN  ) 1.80 0.00 2.78
assign (segid 2GSH and resid  70 and name HB# )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 1.75 !2
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 3.10
assign (segid 2GSH and resid  70 and name HB# )(segid 2GSH and resid  75 and name HB# ) 1.80 0.00 2.57 !4
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  75 and name HB# ) 1.80 0.00 2.82 !2
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  76 and name HA  ) 1.80 0.00 2.22
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 2.65
assign (segid 2GSH and resid  70 and name HD# )(segid 2GSH and resid  79 and name HB# ) 1.80 0.00 2.89
assign (segid 2GSH and resid  71 and name HN  )(segid 2GSH and resid  71 and name HB# ) 1.80 0.00 1.81
assign (segid 2GSH and resid  71 and name HA  )(segid 2GSH and resid  71 and name HB# ) 1.80 0.00 1.41 !3
assign (segid 2GSH and resid  71 and name HB# )(segid 2GSH and resid  71 and name HD# ) 1.80 0.00 2.87 !2
assign (segid 2GSH and resid  71 and name HN  )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  71 and name HA  )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 1.62
assign (segid 2GSH and resid  71 and name HB# )(segid 2GSH and resid  72 and name HN  ) 1.80 0.00 2.28
assign (segid 2GSH and resid  72 and name HN  )(segid 2GSH and resid  72 and name HB# ) 1.80 0.00 2.27 !2
assign (segid 2GSH and resid  72 and name HA  )(segid 2GSH and resid  72 and name HB# ) 1.80 0.00 1.50 !2
assign (segid 2GSH and resid  72 and name HN  )(segid 2GSH and resid  73 and name HN  ) 1.80 0.00 2.42
assign (segid 2GSH and resid  72 and name HB# )(segid 2GSH and resid  73 and name HN  ) 1.80 0.00 2.17 !2
assign (segid 2GSH and resid  72 and name HA  )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 2.37 !2
assign (segid 2GSH and resid  72 and name HN  )(segid 2GSH and resid  75 and name HB# ) 1.80 0.00 1.80 !2
assign (segid 2GSH and resid  72 and name HB# )(segid 2GSH and resid  75 and name HN  ) 1.80 0.00 1.89
assign (segid 2GSH and resid  72 and name HA  )(segid 2GSH and resid  75 and name HB# ) 1.80 0.00 2.19
assign (segid 2GSH and resid  72 and name HA  )(segid 2GSH and resid  75 and name HG# ) 1.80 0.00 2.62
assign (segid 2GSH and resid  73 and name HN  )(segid 2GSH and resid  73 and name HA  ) 1.80 0.00 1.87
assign (segid 2GSH and resid  73 and name HN  )(segid 2GSH and resid  73 and name HB# ) 1.80 0.00 1.96 !2
assign (segid 2GSH and resid  73 and name HN  )(segid 2GSH and resid  73 and name HG  ) 1.80 0.00 1.68
assign (segid 2GSH and resid  73 and name HN  )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 3.53
assign (segid 2GSH and resid  73 and name HA  )(segid 2GSH and resid  73 and name HB# ) 1.80 0.00 1.89 !2
assign (segid 2GSH and resid  73 and name HA  )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 1.95 !4
assign (segid 2GSH and resid  73 and name HB# )(segid 2GSH and resid  73 and name HG  ) 1.80 0.00 1.82
assign (segid 2GSH and resid  73 and name HB# )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 2.48 !6
assign (segid 2GSH and resid  73 and name HA  )(segid 2GSH and resid  73 and name HG  ) 1.80 0.00 1.84
assign (segid 2GSH and resid  73 and name HG  )(segid 2GSH and resid  73 and name HD* ) 1.80 0.00 2.65 !3
assign (segid 2GSH and resid  73 and name HN  )(segid 2GSH and resid  74 and name HN  ) 1.80 0.00 1.99
assign (segid 2GSH and resid  73 and name HB# )(segid 2GSH and resid  74 and name HN  ) 1.80 0.00 2.72
assign (segid 2GSH and resid  73 and name HA  )(segid 2GSH and resid  76 and name HB# ) 1.80 0.00 1.86 !2
assign (segid 2GSH and resid  73 and name HA  )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 3.00 !3
assign (segid 2GSH and resid  73 and name HD* )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 4.26
assign (segid 2GSH and resid  74 and name HN  )(segid 2GSH and resid  74 and name HA  ) 1.80 0.00 1.81
assign (segid 2GSH and resid  74 and name HA  )(segid 2GSH and resid  74 and name HB# ) 1.80 0.00 1.56
assign (segid 2GSH and resid  74 and name HA  )(segid 2GSH and resid  74 and name HD# ) 1.80 0.00 2.87
assign (segid 2GSH and resid  74 and name HB# )(segid 2GSH and resid  74 and name HD# ) 1.80 0.00 3.31
assign (segid 2GSH and resid  74 and name HN  )(segid 2GSH and resid  75 and name HN  ) 1.80 0.00 1.88 !2
assign (segid 2GSH and resid  74 and name HA  )(segid 2GSH and resid  75 and name HN  ) 1.80 0.00 2.34
assign (segid 2GSH and resid  74 and name HD# )(segid 2GSH and resid  75 and name HN  ) 1.80 0.00 2.52
assign (segid 2GSH and resid  75 and name HN  )(segid 2GSH and resid  75 and name HB# ) 1.80 0.00 1.69
assign (segid 2GSH and resid  75 and name HN  )(segid 2GSH and resid  75 and name HG# ) 1.80 0.00 1.81
assign (segid 2GSH and resid  75 and name HB# )(segid 2GSH and resid  75 and name HG# ) 1.80 0.00 1.62
assign (segid 2GSH and resid  75 and name HN  )(segid 2GSH and resid  76 and name HN  ) 1.80 0.00 1.63
assign (segid 2GSH and resid  75 and name HA  )(segid 2GSH and resid  78 and name HB# ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  76 and name HN  )(segid 2GSH and resid  76 and name HA  ) 1.80 0.00 2.38
assign (segid 2GSH and resid  76 and name HN  )(segid 2GSH and resid  76 and name HB# ) 1.80 0.00 2.48 !2
assign (segid 2GSH and resid  76 and name HA  )(segid 2GSH and resid  76 and name HB# ) 1.80 0.00 1.87 !3
assign (segid 2GSH and resid  76 and name HA  )(segid 2GSH and resid  76 and name HG  ) 1.80 0.00 1.47
assign (segid 2GSH and resid  76 and name HA  )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 2.72 !4
assign (segid 2GSH and resid  76 and name HB# )(segid 2GSH and resid  76 and name HG  ) 1.80 0.00 2.35
assign (segid 2GSH and resid  76 and name HB# )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 2.73 !4
assign (segid 2GSH and resid  76 and name HG  )(segid 2GSH and resid  76 and name HD* ) 1.80 0.00 1.91 !3
assign (segid 2GSH and resid  77 and name HA  )(segid 2GSH and resid  77 and name HB  ) 1.80 0.00 1.55 !2
assign (segid 2GSH and resid  77 and name HA  )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 1.81 !3
assign (segid 2GSH and resid  77 and name HB  )(segid 2GSH and resid  77 and name HG* ) 1.80 0.00 1.71 !3
assign (segid 2GSH and resid  77 and name HA  )(segid 2GSH and resid  78 and name HN  ) 1.80 0.00 2.15
assign (segid 2GSH and resid  77 and name HB  )(segid 2GSH and resid  78 and name HN  ) 1.80 0.00 1.49
assign (segid 2GSH and resid  77 and name HG* )(segid 2GSH and resid  78 and name HN  ) 1.80 0.00 2.76 !2
assign (segid 2GSH and resid  77 and name HG* )(segid 2GSH and resid  78 and name HA  ) 1.80 0.00 2.48
assign (segid 2GSH and resid  77 and name HA  )(segid 2GSH and resid  80 and name HB# ) 1.80 0.00 2.01 !2
assign (segid 2GSH and resid  77 and name HB  )(segid 2GSH and resid  81 and name HG# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  77 and name HG* )(segid 2GSH and resid  81 and name HE  ) 1.80 0.00 2.82
assign (segid 2GSH and resid  77 and name HA  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.08 !2
assign (segid 2GSH and resid  77 and name HG* )(segid 2GSH and resid  93 and name HB# ) 1.80 0.00 2.69
assign (segid 2GSH and resid  77 and name HG* )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 3.36 !2
assign (segid 2GSH and resid  78 and name HN  )(segid 2GSH and resid  78 and name HB# ) 1.80 0.00 1.41
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  78 and name HB# ) 1.80 0.00 1.38
assign (segid 2GSH and resid  78 and name HN  )(segid 2GSH and resid  79 and name HN  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  81 and name HN  ) 1.80 0.00 1.97
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  81 and name HB# ) 1.80 0.00 1.65
assign (segid 2GSH and resid  78 and name HB# )(segid 2GSH and resid  81 and name HB# ) 1.80 0.00 2.90
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  81 and name HG# ) 1.80 0.00 2.33
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  81 and name HD# ) 1.80 0.00 2.01
assign (segid 2GSH and resid  78 and name HA  )(segid 2GSH and resid  81 and name HE  ) 1.80 0.00 1.56
assign (segid 2GSH and resid  79 and name HN  )(segid 2GSH and resid  79 and name HA  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  79 and name HN  )(segid 2GSH and resid  79 and name HB# ) 1.80 0.00 1.59 !2
assign (segid 2GSH and resid  79 and name HA  )(segid 2GSH and resid  79 and name HB# ) 1.80 0.00 1.44 !3
assign (segid 2GSH and resid  79 and name HA  )(segid 2GSH and resid  79 and name HD# ) 1.80 0.00 1.89
assign (segid 2GSH and resid  79 and name HB# )(segid 2GSH and resid  79 and name HD# ) 1.80 0.00 2.53 !3
assign (segid 2GSH and resid  79 and name HE# )(segid 2GSH and resid  80 and name HA  ) 1.80 0.00 2.38
assign (segid 2GSH and resid  79 and name HE# )(segid 2GSH and resid  83 and name HG2#) 1.80 0.00 1.88 !2
assign (segid 2GSH and resid  80 and name HA  )(segid 2GSH and resid  80 and name HB# ) 1.80 0.00 2.11 !2
assign (segid 2GSH and resid  80 and name HA  )(segid 2GSH and resid  81 and name HN  ) 1.80 0.00 2.08
assign (segid 2GSH and resid  80 and name HA  )(segid 2GSH and resid  82 and name HN  ) 1.80 0.00 1.92
assign (segid 2GSH and resid  80 and name HA  )(segid 2GSH and resid  83 and name HN  ) 1.80 0.00 1.45
assign (segid 2GSH and resid  80 and name HA  )(segid 2GSH and resid  83 and name HB  ) 1.80 0.00 1.51 !2
assign (segid 2GSH and resid  80 and name HB# )(segid 2GSH and resid  93 and name HG  ) 1.80 0.00 2.27
assign (segid 2GSH and resid  80 and name HB# )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 3.19 !3
assign (segid 2GSH and resid  81 and name HN  )(segid 2GSH and resid  81 and name HA  ) 1.80 0.00 1.68
assign (segid 2GSH and resid  81 and name HN  )(segid 2GSH and resid  81 and name HB# ) 1.80 0.00 1.55
assign (segid 2GSH and resid  81 and name HN  )(segid 2GSH and resid  81 and name HG# ) 1.80 0.00 1.77
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  81 and name HB# ) 1.80 0.00 1.28 !2
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  81 and name HG# ) 1.80 0.00 1.85
assign (segid 2GSH and resid  81 and name HB# )(segid 2GSH and resid  81 and name HD# ) 1.80 0.00 1.76
assign (segid 2GSH and resid  81 and name HG# )(segid 2GSH and resid  81 and name HD# ) 1.80 0.00 2.26
assign (segid 2GSH and resid  81 and name HB# )(segid 2GSH and resid  81 and name HE  ) 1.80 0.00 2.34
assign (segid 2GSH and resid  81 and name HG# )(segid 2GSH and resid  81 and name HE  ) 1.80 0.00 2.36
assign (segid 2GSH and resid  81 and name HD# )(segid 2GSH and resid  81 and name HE  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  81 and name HN  )(segid 2GSH and resid  82 and name HN  ) 1.80 0.00 1.41 !2
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  82 and name HN  ) 1.80 0.00 2.00
assign (segid 2GSH and resid  81 and name HB# )(segid 2GSH and resid  82 and name HN  ) 1.80 0.00 2.07
assign (segid 2GSH and resid  81 and name HN  )(segid 2GSH and resid  83 and name HN  ) 1.80 0.00 2.19
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  92 and name HB# ) 1.80 0.00 2.11 !3
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  93 and name HN  ) 1.80 0.00 1.49
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  93 and name HB# ) 1.80 0.00 2.09
assign (segid 2GSH and resid  81 and name HA  )(segid 2GSH and resid  94 and name HE  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  81 and name HD# )(segid 2GSH and resid  95 and name HN  ) 1.80 0.00 3.38
assign (segid 2GSH and resid  82 and name HN  )(segid 2GSH and resid  82 and name HA  ) 1.80 0.00 1.77
assign (segid 2GSH and resid  82 and name HN  )(segid 2GSH and resid  82 and name HB# ) 1.80 0.00 2.38 !2
assign (segid 2GSH and resid  82 and name HA  )(segid 2GSH and resid  82 and name HB# ) 1.80 0.00 1.21 !4
assign (segid 2GSH and resid  82 and name HN  )(segid 2GSH and resid  83 and name HN  ) 1.80 0.00 1.32
assign (segid 2GSH and resid  82 and name HA  )(segid 2GSH and resid  83 and name HN  ) 1.80 0.00 2.09
assign (segid 2GSH and resid  82 and name HA  )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 2.19 !2
assign (segid 2GSH and resid  82 and name HA  )(segid 2GSH and resid  92 and name HE# ) 1.80 0.00 2.42
assign (segid 2GSH and resid  83 and name HN  )(segid 2GSH and resid  83 and name HA  ) 1.80 0.00 1.84
assign (segid 2GSH and resid  83 and name HN  )(segid 2GSH and resid  83 and name HB  ) 1.80 0.00 1.65
assign (segid 2GSH and resid  83 and name HN  )(segid 2GSH and resid  83 and name HG2#) 1.80 0.00 2.99
assign (segid 2GSH and resid  83 and name HA  )(segid 2GSH and resid  83 and name HB  ) 1.80 0.00 1.38 !2
assign (segid 2GSH and resid  83 and name HA  )(segid 2GSH and resid  83 and name HG2#) 1.80 0.00 1.39
assign (segid 2GSH and resid  83 and name HN  )(segid 2GSH and resid  92 and name HB# ) 1.80 0.00 2.87
assign (segid 2GSH and resid  83 and name HN  )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 2.75
assign (segid 2GSH and resid  83 and name HA  )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 2.12 !2
assign (segid 2GSH and resid  83 and name HA  )(segid 2GSH and resid  92 and name HE# ) 1.80 0.00 2.31
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  84 and name HB# ) 1.80 0.00 1.51
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  85 and name HN  ) 1.80 0.00 1.24
assign (segid 2GSH and resid  84 and name HB# )(segid 2GSH and resid  85 and name HN  ) 1.80 0.00 2.65
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  86 and name HN  ) 1.80 0.00 2.57
assign (segid 2GSH and resid  84 and name HB# )(segid 2GSH and resid  86 and name HN  ) 1.80 0.00 2.25
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  91 and name HN  ) 1.80 0.00 2.02
assign (segid 2GSH and resid  84 and name HB# )(segid 2GSH and resid  91 and name HN  ) 1.80 0.00 2.62
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  92 and name HA  ) 1.80 0.00 1.75 !2
assign (segid 2GSH and resid  84 and name HA  )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 1.98 !2
assign (segid 2GSH and resid  85 and name HN  )(segid 2GSH and resid  85 and name HA  ) 1.80 0.00 2.23
assign (segid 2GSH and resid  85 and name HA  )(segid 2GSH and resid  85 and name HB  ) 1.80 0.00 1.83
assign (segid 2GSH and resid  85 and name HA  )(segid 2GSH and resid  85 and name HG* ) 1.80 0.00 2.66
assign (segid 2GSH and resid  85 and name HN  )(segid 2GSH and resid  86 and name HN  ) 1.80 0.00 1.58
assign (segid 2GSH and resid  85 and name HB  )(segid 2GSH and resid  86 and name HB# ) 1.80 0.00 2.40
assign (segid 2GSH and resid  85 and name HG* )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 2.54
assign (segid 2GSH and resid  86 and name HN  )(segid 2GSH and resid  86 and name HA  ) 1.80 0.00 1.96
assign (segid 2GSH and resid  86 and name HN  )(segid 2GSH and resid  86 and name HB# ) 1.80 0.00 1.93
assign (segid 2GSH and resid  86 and name HA  )(segid 2GSH and resid  86 and name HB# ) 1.80 0.00 1.75 !3
assign (segid 2GSH and resid  86 and name HA  )(segid 2GSH and resid  87 and name HN  ) 1.80 0.00 1.38
assign (segid 2GSH and resid  86 and name HA  )(segid 2GSH and resid  88 and name HN  ) 1.80 0.00 2.42
assign (segid 2GSH and resid  86 and name HB# )(segid 2GSH and resid  88 and name HB# ) 1.80 0.00 2.89
assign (segid 2GSH and resid  86 and name HB# )(segid 2GSH and resid  89 and name HN  ) 1.80 0.00 2.08
assign (segid 2GSH and resid  86 and name HB# )(segid 2GSH and resid  89 and name HB# ) 1.80 0.00 2.88
assign (segid 2GSH and resid  86 and name HN  )(segid 2GSH and resid  91 and name HN  ) 1.80 0.00 2.19
assign (segid 2GSH and resid  86 and name HB# )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 2.26 !3
assign (segid 2GSH and resid  86 and name HA  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 4.64
assign (segid 2GSH and resid  87 and name HN  )(segid 2GSH and resid  87 and name HA  ) 1.80 0.00 1.99
assign (segid 2GSH and resid  87 and name HN  )(segid 2GSH and resid  87 and name HB# ) 1.80 0.00 1.98 !2
assign (segid 2GSH and resid  87 and name HN  )(segid 2GSH and resid  87 and name HG# ) 1.80 0.00 2.64 !2
assign (segid 2GSH and resid  87 and name HA  )(segid 2GSH and resid  87 and name HB# ) 1.80 0.00 1.43 !3
assign (segid 2GSH and resid  87 and name HA  )(segid 2GSH and resid  87 and name HG# ) 1.80 0.00 1.81 !3
assign (segid 2GSH and resid  87 and name HB# )(segid 2GSH and resid  87 and name HG# ) 1.80 0.00 1.75 !4
assign (segid 2GSH and resid  87 and name HB# )(segid 2GSH and resid  87 and name HD# ) 1.80 0.00 2.49 !2
assign (segid 2GSH and resid  87 and name HG# )(segid 2GSH and resid  87 and name HD# ) 1.80 0.00 2.16 !4
assign (segid 2GSH and resid  87 and name HA  )(segid 2GSH and resid  87 and name HD# ) 1.80 0.00 2.22
assign (segid 2GSH and resid  87 and name HN  )(segid 2GSH and resid  88 and name HN  ) 1.80 0.00 2.02 !2
assign (segid 2GSH and resid  87 and name HB# )(segid 2GSH and resid  88 and name HN  ) 1.80 0.00 2.70
assign (segid 2GSH and resid  87 and name HG# )(segid 2GSH and resid  88 and name HN  ) 1.80 0.00 2.81
assign (segid 2GSH and resid  87 and name HA  )(segid 2GSH and resid  89 and name HN  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  88 and name HN  )(segid 2GSH and resid  88 and name HB# ) 1.80 0.00 2.17
assign (segid 2GSH and resid  88 and name HA  )(segid 2GSH and resid  88 and name HB# ) 1.80 0.00 1.27 !4
assign (segid 2GSH and resid  88 and name HB# )(segid 2GSH and resid  88 and name HD# ) 1.80 0.00 2.76 !2
assign (segid 2GSH and resid  88 and name HN  )(segid 2GSH and resid  89 and name HN  ) 1.80 0.00 1.28 !2
assign (segid 2GSH and resid  88 and name HB# )(segid 2GSH and resid  89 and name HN  ) 1.80 0.00 2.35
assign (segid 2GSH and resid  89 and name HN  )(segid 2GSH and resid  89 and name HA  ) 1.80 0.00 1.45
assign (segid 2GSH and resid  89 and name HN  )(segid 2GSH and resid  89 and name HB# ) 1.80 0.00 1.81 !2
assign (segid 2GSH and resid  89 and name HA  )(segid 2GSH and resid  89 and name HB# ) 1.80 0.00 1.46 !3
assign (segid 2GSH and resid  89 and name HA  )(segid 2GSH and resid  89 and name HG# ) 1.80 0.00 1.51 !2
assign (segid 2GSH and resid  89 and name HB# )(segid 2GSH and resid  89 and name HG# ) 1.80 0.00 2.88
assign (segid 2GSH and resid  89 and name HG# )(segid 2GSH and resid  89 and name HE# ) 1.80 0.00 2.51 !3
assign (segid 2GSH and resid  89 and name HA  )(segid 2GSH and resid  90 and name HN  ) 1.80 0.00 1.51
assign (segid 2GSH and resid  89 and name HB# )(segid 2GSH and resid  90 and name HN  ) 1.80 0.00 2.52
assign (segid 2GSH and resid  89 and name HB# )(segid 2GSH and resid  90 and name HG# ) 1.80 0.00 2.46 !2
assign (segid 2GSH and resid  89 and name HB# )(segid 2GSH and resid  91 and name HG1#) 1.80 0.00 2.73
assign (segid 2GSH and resid  89 and name HB# )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 2.35
assign (segid 2GSH and resid  90 and name HN  )(segid 2GSH and resid  90 and name HA  ) 1.80 0.00 2.15
assign (segid 2GSH and resid  90 and name HN  )(segid 2GSH and resid  90 and name HB# ) 1.80 0.00 2.12
assign (segid 2GSH and resid  90 and name HN  )(segid 2GSH and resid  90 and name HG# ) 1.80 0.00 2.69
assign (segid 2GSH and resid  90 and name HA  )(segid 2GSH and resid  90 and name HB# ) 1.80 0.00 1.58 !2
assign (segid 2GSH and resid  90 and name HA  )(segid 2GSH and resid  90 and name HG# ) 1.80 0.00 1.84
assign (segid 2GSH and resid  90 and name HA  )(segid 2GSH and resid  90 and name HE# ) 1.80 0.00 2.79
assign (segid 2GSH and resid  90 and name HA  )(segid 2GSH and resid  91 and name HN  ) 1.80 0.00 1.23
assign (segid 2GSH and resid  90 and name HB# )(segid 2GSH and resid  92 and name HE# ) 1.80 0.00 2.48 !2
assign (segid 2GSH and resid  91 and name HN  )(segid 2GSH and resid  91 and name HB  ) 1.80 0.00 1.82
assign (segid 2GSH and resid  91 and name HN  )(segid 2GSH and resid  91 and name HG1#) 1.80 0.00 2.43
assign (segid 2GSH and resid  91 and name HA  )(segid 2GSH and resid  91 and name HB  ) 1.80 0.00 1.67 !2
assign (segid 2GSH and resid  91 and name HA  )(segid 2GSH and resid  91 and name HG2#) 1.80 0.00 1.47 !2
assign (segid 2GSH and resid  91 and name HA  )(segid 2GSH and resid  91 and name HG1#) 1.80 0.00 2.00 !3
assign (segid 2GSH and resid  91 and name HB  )(segid 2GSH and resid  91 and name HD# ) 1.80 0.00 1.65
assign (segid 2GSH and resid  91 and name HA  )(segid 2GSH and resid  92 and name HN  ) 1.80 0.00 1.02
assign (segid 2GSH and resid  91 and name HG2#)(segid 2GSH and resid  92 and name HN  ) 1.80 0.00 2.28
assign (segid 2GSH and resid  92 and name HN  )(segid 2GSH and resid  92 and name HA  ) 1.80 0.00 1.77
assign (segid 2GSH and resid  92 and name HN  )(segid 2GSH and resid  92 and name HB# ) 1.80 0.00 1.87 !2
assign (segid 2GSH and resid  92 and name HN  )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 2.40
assign (segid 2GSH and resid  92 and name HA  )(segid 2GSH and resid  92 and name HB# ) 1.80 0.00 1.79 !2
assign (segid 2GSH and resid  92 and name HB# )(segid 2GSH and resid  92 and name HD# ) 1.80 0.00 2.37 !4
assign (segid 2GSH and resid  92 and name HA  )(segid 2GSH and resid  93 and name HN  ) 1.80 0.00 1.19
assign (segid 2GSH and resid  92 and name HB# )(segid 2GSH and resid  93 and name HN  ) 1.80 0.00 2.33
assign (segid 2GSH and resid  93 and name HN  )(segid 2GSH and resid  93 and name HA  ) 1.80 0.00 1.92
assign (segid 2GSH and resid  93 and name HN  )(segid 2GSH and resid  93 and name HB# ) 1.80 0.00 1.87 !2
assign (segid 2GSH and resid  93 and name HN  )(segid 2GSH and resid  93 and name HG  ) 1.80 0.00 1.24
assign (segid 2GSH and resid  93 and name HN  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 3.10
assign (segid 2GSH and resid  93 and name HA  )(segid 2GSH and resid  93 and name HB# ) 1.80 0.00 1.90 !3
assign (segid 2GSH and resid  93 and name HA  )(segid 2GSH and resid  93 and name HG  ) 1.80 0.00 1.76
assign (segid 2GSH and resid  93 and name HA  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 1.68 !3
assign (segid 2GSH and resid  93 and name HB# )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 2.62 !2
assign (segid 2GSH and resid  93 and name HB# )(segid 2GSH and resid  93 and name HG  ) 1.80 0.00 2.10
assign (segid 2GSH and resid  93 and name HG  )(segid 2GSH and resid  93 and name HD* ) 1.80 0.00 1.84 !3
assign (segid 2GSH and resid  93 and name HB# )(segid 2GSH and resid  94 and name HN  ) 1.80 0.00 2.29
assign (segid 2GSH and resid  93 and name HD* )(segid 2GSH and resid  94 and name HN  ) 1.80 0.00 2.94 !2
assign (segid 2GSH and resid  94 and name HN  )(segid 2GSH and resid  94 and name HB# ) 1.80 0.00 2.50
assign (segid 2GSH and resid  94 and name HA  )(segid 2GSH and resid  94 and name HB# ) 1.80 0.00 1.35 !4
assign (segid 2GSH and resid  94 and name HA  )(segid 2GSH and resid  94 and name HG# ) 1.80 0.00 1.80
assign (segid 2GSH and resid  94 and name HB# )(segid 2GSH and resid  94 and name HG# ) 1.80 0.00 1.62
assign (segid 2GSH and resid  94 and name HD# )(segid 2GSH and resid  94 and name HE  ) 1.80 0.00 2.37
assign (segid 2GSH and resid  94 and name HA  )(segid 2GSH and resid  95 and name HN  ) 1.80 0.00 0.88
assign (segid 2GSH and resid  94 and name HB# )(segid 2GSH and resid  95 and name HN  ) 1.80 0.00 2.07
assign (segid 2GSH and resid  95 and name HN  )(segid 2GSH and resid  95 and name HA  ) 1.80 0.00 1.57
assign (segid 2GSH and resid  95 and name HN  )(segid 2GSH and resid  95 and name HB# ) 1.80 0.00 1.52 !2
assign (segid 2GSH and resid  95 and name HA  )(segid 2GSH and resid  96 and name HN  ) 1.80 0.00 1.45
assign (segid 2GSH and resid  95 and name HB# )(segid 2GSH and resid  96 and name HN  ) 1.80 0.00 2.13
assign (segid 2GSH and resid  96 and name HN  )(segid 2GSH and resid  96 and name HA  ) 1.80 0.00 2.09
assign (segid 2GSH and resid  96 and name HN  )(segid 2GSH and resid  96 and name HB  ) 1.80 0.00 1.68
assign (segid 2GSH and resid  96 and name HN  )(segid 2GSH and resid  96 and name HG2#) 1.80 0.00 2.74
assign (segid 2GSH and resid  96 and name HN  )(segid 2GSH and resid  96 and name HG1#) 1.80 0.00 2.28 !2
assign (segid 2GSH and resid  96 and name HA  )(segid 2GSH and resid  96 and name HB  ) 1.80 0.00 1.17 !2
assign (segid 2GSH and resid  96 and name HA  )(segid 2GSH and resid  96 and name HG2#) 1.80 0.00 1.41 !2
assign (segid 2GSH and resid  96 and name HA  )(segid 2GSH and resid  96 and name HG1#) 1.80 0.00 1.76 !2
assign (segid 2GSH and resid  96 and name HA  )(segid 2GSH and resid  97 and name HN  ) 1.80 0.00 0.87
assign (segid 2GSH and resid  96 and name HB  )(segid 2GSH and resid  97 and name HN  ) 1.80 0.00 1.57
assign (segid 2GSH and resid  96 and name HG2#)(segid 2GSH and resid  97 and name HN  ) 1.80 0.00 2.16
assign (segid 2GSH and resid  96 and name HG2#)(segid 2GSH and resid  97 and name HG# ) 1.80 0.00 2.77
assign (segid 2GSH and resid  97 and name HN  )(segid 2GSH and resid  97 and name HA  ) 1.80 0.00 1.51
assign (segid 2GSH and resid  97 and name HN  )(segid 2GSH and resid  97 and name HG# ) 1.80 0.00 2.21 !2
!assign (segid 2GSH and resid  97 and name HA  )(segid 2GSH and resid  97 and name HG# ) 1.80 0.00 1.46 !4
assign (segid 2GSH and resid  97 and name HA  )(segid 2GSH and resid  97 and name HB# ) 1.80 0.00 1.45
assign (segid 2GSH and resid  97 and name HB# )(segid 2GSH and resid  97 and name HG# ) 1.80 0.00 1.45 !2
assign (segid 2GSH and resid  97 and name HA  )(segid 2GSH and resid  98 and name HN  ) 1.80 0.00 0.91
assign (segid 2GSH and resid  98 and name HN  )(segid 2GSH and resid  98 and name HA  ) 1.80 0.00 1.43
assign (segid 2GSH and resid  98 and name HA  )(segid 2GSH and resid  98 and name HG# ) 1.80 0.00 1.66
assign (segid 2GSH and resid  98 and name HA  )(segid 2GSH and resid  98 and name HB# ) 1.80 0.00 1.52 !2
assign (segid 2GSH and resid  98 and name HG# )(segid 2GSH and resid  98 and name HE# ) 1.80 0.00 2.75 !2
assign (segid 2GSH and resid  98 and name HG# )(segid 2GSH and resid  99 and name HN  ) 1.80 0.00 2.75
assign (segid 2GSH and resid  99 and name HA  )(segid 2GSH and resid  99 and name HB  ) 1.80 0.00 1.27
assign (segid 2GSH and resid  99 and name HA  )(segid 2GSH and resid  99 and name HG* ) 1.80 0.00 2.00
!assign (segid 2GSH and resid  99 and name HA  )(segid 2GSH and resid 100 and name HD# ) 1.80 0.00 1.01
assign (segid 2GSH and resid  99 and name HG* )(segid 2GSH and resid 100 and name HD# ) 1.80 0.00 3.31 !2
assign (segid 2GSH and resid  99 and name HB  )(segid 2GSH and resid 100 and name HD# ) 1.80 0.00 1.90
assign (segid 2GSH and resid 100 and name HD# )(segid 2GSH and resid 100 and name HB# ) 1.80 0.00 2.52 !2
assign (segid 2GSH and resid 100 and name HD# )(segid 2GSH and resid 100 and name HA  ) 1.80 0.00 1.98
assign (segid 2GSH and resid 100 and name HA  )(segid 2GSH and resid 100 and name HB# ) 1.80 0.00 1.15 !4
assign (segid 2GSH and resid 100 and name HD# )(segid 2GSH and resid 100 and name HG# ) 1.80 0.00 1.91
assign (segid 2GSH and resid 100 and name HA  )(segid 2GSH and resid 101 and name HN  ) 1.80 0.00 0.87
assign (segid 2GSH and resid 100 and name HD# )(segid 2GSH and resid 103 and name HB# ) 1.80 0.00 2.16
assign (segid 2GSH and resid 101 and name HN  )(segid 2GSH and resid 101 and name HA  ) 1.80 0.00 1.64
assign (segid 2GSH and resid 101 and name HN  )(segid 2GSH and resid 101 and name HB# ) 1.80 0.00 1.70
assign (segid 2GSH and resid 101 and name HN  )(segid 2GSH and resid 101 and name HG# ) 1.80 0.00 2.37
assign (segid 2GSH and resid 101 and name HA  )(segid 2GSH and resid 101 and name HG# ) 1.80 0.00 2.12 !2
assign (segid 2GSH and resid 101 and name HB# )(segid 2GSH and resid 101 and name HG# ) 1.80 0.00 0.90
assign (segid 2GSH and resid 101 and name HA  )(segid 2GSH and resid 102 and name HN  ) 1.80 0.00 1.18
assign (segid 2GSH and resid 101 and name HA  )(segid 2GSH and resid 103 and name HD# ) 1.80 0.00 2.16
assign (segid 2GSH and resid 102 and name HN  )(segid 2GSH and resid 102 and name HB# ) 1.80 0.00 1.86 !2
assign (segid 2GSH and resid 102 and name HA  )(segid 2GSH and resid 102 and name HB# ) 1.80 0.00 2.10
assign (segid 2GSH and resid 102 and name HB# )(segid 2GSH and resid 102 and name HG# ) 1.80 0.00 0.68
!assign (segid 2GSH and resid 102 and name HA  )(segid 2GSH and resid 103 and name HD# ) 1.80 0.00 1.33 !4
assign (segid 2GSH and resid 103 and name HD# )(segid 2GSH and resid 103 and name HA  ) 1.80 0.00 2.30
assign (segid 2GSH and resid 103 and name HA  )(segid 2GSH and resid 103 and name HB# ) 1.80 0.00 1.75 !2
assign (segid 2GSH and resid 103 and name HA  )(segid 2GSH and resid 104 and name HN  ) 1.80 0.00 1.28
assign (segid 2GSH and resid 104 and name HN  )(segid 2GSH and resid 104 and name HB  ) 1.80 0.00 2.06
assign (segid 1SHC and resid   1 and name HA  )(segid 1SHC and resid   1 and name HB# ) 1.80 0.00 1.52 !5
assign (segid 1SHC and resid   2 and name HA  )(segid 1SHC and resid   3 and name HD# ) 1.80 0.00 2.36
assign (segid 1SHC and resid   3 and name HD# )(segid 1SHC and resid   3 and name HB# ) 1.80 0.00 2.65 !5
assign (segid 1SHC and resid   3 and name HA  )(segid 1SHC and resid   3 and name HB# ) 1.80 0.00 1.75 !7
assign (segid 1SHC and resid   3 and name HB# )(segid 1SHC and resid   3 and name HG# ) 1.80 0.00 3.19
assign (segid 1SHC and resid   4 and name HA  )(segid 1SHC and resid   4 and name HB# ) 1.80 0.00 1.27 !2
assign (segid 1SHC and resid   4 and name HB# )(segid 1SHC and resid   5 and name HA  ) 1.80 0.00 2.84
assign (segid 1SHC and resid   5 and name HA  )(segid 1SHC and resid   5 and name HB# ) 1.80 0.00 2.30 !4
assign (segid 1SHC and resid   5 and name HA  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 3.36 !2
assign (segid 1SHC and resid   5 and name HA  )(segid 1SHC and resid   8 and name HB  ) 1.80 0.00 2.22
assign (segid 1SHC and resid   5 and name HA  )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 3.18 !2
assign (segid 1SHC and resid   5 and name HB# )(segid 1SHC and resid   8 and name HB  ) 1.80 0.00 2.58 !7
assign (segid 1SHC and resid   5 and name HB# )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 3.58 !6
assign (segid 1SHC and resid   6 and name HA  )(segid 1SHC and resid   6 and name HB  ) 1.80 0.00 1.51 !2
assign (segid 1SHC and resid   6 and name HA  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 1.74 !4
assign (segid 1SHC and resid   6 and name HB  )(segid 1SHC and resid   6 and name HG* ) 1.80 0.00 2.14 !4
assign (segid 1SHC and resid   6 and name HG* )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 4.89
assign (segid 1SHC and resid   7 and name HA  )(segid 1SHC and resid   7 and name HB# ) 1.80 0.00 2.08 !5
assign (segid 1SHC and resid   8 and name HA  )(segid 1SHC and resid   8 and name HB  ) 1.80 0.00 1.42 !2
assign (segid 1SHC and resid   8 and name HA  )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 1.77 !4
assign (segid 1SHC and resid   8 and name HB  )(segid 1SHC and resid   8 and name HG* ) 1.80 0.00 1.88 !4
assign (segid 1SHC and resid   8 and name HA  )(segid 1SHC and resid   9 and name HG# ) 1.80 0.00 2.74 !2
assign (segid 1SHC and resid   9 and name HA  )(segid 1SHC and resid   9 and name HB# ) 1.80 0.00 1.60 !4
assign (segid 1SHC and resid   9 and name HB# )(segid 1SHC and resid   9 and name HG# ) 1.80 0.00 2.07 !4
assign (segid 1SHC and resid  10 and name HA  )(segid 1SHC and resid  10 and name HB# ) 1.80 0.00 2.10 !3
assign (segid 1SHC and resid  11 and name HA  )(segid 1SHC and resid  11 and name HD* ) 1.80 0.00 2.03
assign (segid 1SHC and resid  12 and name HA  )(segid 1SHC and resid  12 and name HB# ) 1.80 0.00 1.60 !4
remarks   H-bonds
assign (segid 2GSH and resid  30 and name HN  )(segid 2GSH and resid   5 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  30 and name N   )(segid 2GSH and resid   5 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  41 and name HN  )(segid 2GSH and resid  31 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  41 and name N   )(segid 2GSH and resid  31 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  31 and name HN  )(segid 2GSH and resid  41 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  31 and name N   )(segid 2GSH and resid  41 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  43 and name HN  )(segid 2GSH and resid  29 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  43 and name N   )(segid 2GSH and resid  29 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  29 and name HN  )(segid 2GSH and resid  43 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  29 and name N   )(segid 2GSH and resid  43 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  45 and name HN  )(segid 2GSH and resid  27 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  45 and name N   )(segid 2GSH and resid  27 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  55 and name HN  )(segid 2GSH and resid  40 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  55 and name N   )(segid 2GSH and resid  40 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  42 and name HN  )(segid 2GSH and resid  53 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  42 and name N   )(segid 2GSH and resid  53 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  53 and name HN  )(segid 2GSH and resid  42 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  53 and name N   )(segid 2GSH and resid  42 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  44 and name HN  )(segid 2GSH and resid  51 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  44 and name N   )(segid 2GSH and resid  51 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  51 and name HN  )(segid 2GSH and resid  44 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  51 and name N   )(segid 2GSH and resid  44 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  46 and name HN  )(segid 2GSH and resid  49 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  46 and name N   )(segid 2GSH and resid  49 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  64 and name HN  )(segid 2GSH and resid  56 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  64 and name N   )(segid 2GSH and resid  56 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  56 and name HN  )(segid 2GSH and resid  64 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  56 and name N   )(segid 2GSH and resid  64 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  63 and name HN  )(segid 2GSH and resid  70 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  63 and name N   )(segid 2GSH and resid  70 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  70 and name HN  )(segid 2GSH and resid  63 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  70 and name N   )(segid 2GSH and resid  63 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  28 and name HN  )(segid 2GSH and resid  94 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  28 and name N   )(segid 2GSH and resid  94 and name O   ) 2.80 0.50 0.50
assign (segid 2GSH and resid  94 and name HN  )(segid 2GSH and resid  26 and name O   ) 1.80 0.50 0.50
assign (segid 2GSH and resid  94 and name N   )(segid 2GSH and resid  26 and name O   ) 2.80 0.50 0.50
set echo=true end
set wrnlev=5 end
remarks   GRB2 SH2 DOMAIN COMPLEXED WITH SHC-PEPTIDE
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign  (segid 2GSH and resid  56 and name HN  )
       ((segid 2GSH and resid  56 and name HB# ) or (segid 2GSH and resid  56 and name HD* )
     or (segid 2GSH and resid  56 and name HD* ))                                             1.8 0.0 3.34 !9
assign  (segid 2GSH and resid   5 and name HE1 )
       ((segid 2GSH and resid   4 and name HG# ) or (segid 2GSH and resid   4 and name HG# )) 1.8 0.0 3.58 !52
assign  (segid 2GSH and resid  45 and name HN  )
       ((segid 2GSH and resid  45 and name HA  ) or (segid 2GSH and resid  50 and name HA  )) 1.8 0.0 2.20 !102
assign  (segid 2GSH and resid  45 and name HN  )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )) 1.8 0.0 3.37 !103
assign  (segid 2GSH and resid  45 and name HN  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 3.00 !110
assign  (segid 2GSH and resid  46 and name HN  )
       ((segid 2GSH and resid  45 and name HA  ) or (segid 2GSH and resid  50 and name HA  )) 1.8 0.0 1.29 !141
assign  (segid 2GSH and resid  46 and name HN  )
       ((segid 2GSH and resid  45 and name HB# ) or (segid 2GSH and resid  51 and name HB# )) 1.8 0.0 2.74 !143
assign  (segid 2GSH and resid  66 and name HE1 )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 4.29 !184
assign  (segid 2GSH and resid  42 and name HN  )
       ((segid 2GSH and resid  53 and name HD# ) or (segid 1SHC and resid   5 and name HD# )
     or (segid 1SHC and resid   5 and name HE# ))                                             1.8 0.0 3.77 !191
assign  (segid 2GSH and resid  42 and name HN  )
       ((segid 2GSH and resid  41 and name HA  ) or (segid 2GSH and resid  42 and name HA  )) 1.8 0.0 1.50 !192
assign  (segid 2GSH and resid  42 and name HN  )
       ((segid 2GSH and resid  42 and name HD* ) or (segid 2GSH and resid  54 and name HB# )
     or (segid 2GSH and resid  55 and name HG* ))                                             1.8 0.0 3.47 !198
assign  (segid 2GSH and resid   7 and name HN  )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   6 and name HE# )) 1.8 0.0 3.26 !205
assign  (segid 2GSH and resid  36 and name HN  )
       ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  35 and name HB# )) 1.8 0.0 2.48 !248
assign  (segid 2GSH and resid  36 and name HN  )
       ((segid 2GSH and resid  37 and name HD# ) or (segid 2GSH and resid  37 and name HD# )) 1.8 0.0 2.99 !250
assign  (segid 2GSH and resid  92 and name HN  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 4.53 !275
assign  (segid 2GSH and resid  54 and name HN  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 2.86 !295
assign  (segid 2GSH and resid  54 and name HN  )
       ((segid 2GSH and resid  54 and name HA  ) or (segid 1SHC and resid   8 and name HA  )) 1.8 0.0 2.39 !297
assign  (segid 2GSH and resid  54 and name HN  )
       ((segid 2GSH and resid  53 and name HB# ) or (segid 1SHC and resid   5 and name HB# )) 1.8 0.0 2.55 !298
assign  (segid 2GSH and resid  54 and name HN  )
       ((segid 2GSH and resid  53 and name HB# ) or (segid 1SHC and resid   5 and name HB# )) 1.8 0.0 2.50 !299
assign  (segid 2GSH and resid  54 and name HN  )
       ((segid 2GSH and resid  54 and name HB# ) or (segid 2GSH and resid  54 and name HD# )) 1.8 0.0 2.28 !300
assign  (segid 2GSH and resid  51 and name HN  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )
     or (segid 1SHC and resid   6 and name HG* ))                                             1.8 0.0 4.57 !316
assign  (segid 2GSH and resid  51 and name HN  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 3.33 !324
assign  (segid 2GSH and resid  55 and name HN  )
       ((segid 2GSH and resid  30 and name HG2#) or (segid 2GSH and resid  42 and name HB# )
     or (segid 2GSH and resid  54 and name HB# ) or (segid 2GSH and resid  54 and name HD# )
     or (segid 2GSH and resid  56 and name HG  ))                                             1.8 0.0 3.77 !348
assign  (segid 2GSH and resid  27 and name HN  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 4.07 !429
assign  (segid 2GSH and resid  91 and name HN  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  91 and name HD# ))                                             1.8 0.0 4.37 !450
assign  (segid 2GSH and resid  87 and name HN  )
       ((segid 2GSH and resid  66 and name HZ2 ) or (segid 2GSH and resid  86 and name HN  )) 1.8 0.0 3.09 !461
assign  (segid 2GSH and resid  91 and name HN  )
       ((segid 2GSH and resid  90 and name HB# ) or (segid 2GSH and resid  90 and name HB# )
     or (segid 2GSH and resid  90 and name HG# ))                                             1.8 0.0 3.78 !468
assign  (segid 2GSH and resid  98 and name HN  )
       ((segid 2GSH and resid  97 and name HG# ) or (segid 2GSH and resid  98 and name HG# )) 1.8 0.0 2.78 !488
assign  (segid 2GSH and resid  98 and name HN  )
       ((segid 2GSH and resid  96 and name HG2#) or (segid 2GSH and resid  99 and name HG* )
     or (segid 2GSH and resid  99 and name HG* ))                                             1.8 0.0 4.64 !489
assign  (segid 2GSH and resid  31 and name HN  )
       ((segid 2GSH and resid  30 and name HA  ) or (segid 2GSH and resid  42 and name HA  )) 1.8 0.0 1.61 !512
assign  (segid 2GSH and resid  31 and name HN  )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  32 and name HB# )
     or (segid 2GSH and resid  42 and name HB# ))                                             1.8 0.0 2.88 !513
assign  (segid 2GSH and resid  98 and name HN  )
       ((segid 2GSH and resid  98 and name HB# ) or (segid 2GSH and resid  98 and name HB# )) 1.8 0.0 2.13 !526
assign  (segid 2GSH and resid  99 and name HN  )
       ((segid 2GSH and resid  98 and name HA  ) or (segid 2GSH and resid  99 and name HA  )) 1.8 0.0 1.16 !534
assign  (segid 2GSH and resid  99 and name HN  )
       ((segid 2GSH and resid  99 and name HG* ) or (segid 2GSH and resid  99 and name HG* )) 1.8 0.0 2.74 !535
assign  (segid 2GSH and resid  25 and name HN  )
       ((segid 2GSH and resid  23 and name HB# ) or (segid 2GSH and resid  23 and name HG# )
     or (segid 2GSH and resid  45 and name HD# ))                                             1.8 0.0 3.87 !557
assign  (segid 2GSH and resid  32 and name HN  )
       ((segid 2GSH and resid  31 and name HD# ) or (segid 2GSH and resid  32 and name HG# )) 1.8 0.0 3.18 !560
assign  (segid 2GSH and resid  32 and name HN  )
       ((segid 2GSH and resid  31 and name HB# ) or (segid 2GSH and resid  32 and name HG# )) 1.8 0.0 2.25 !566
assign  (segid 2GSH and resid  99 and name HN  )
       ((segid 2GSH and resid  98 and name HB# ) or (segid 2GSH and resid  99 and name HB  )) 1.8 0.0 1.78 !578
assign  (segid 2GSH and resid 102 and name HN  )
       ((segid 2GSH and resid 101 and name HG# ) or (segid 2GSH and resid 102 and name HG# )) 1.8 0.0 3.38 !599
assign  (segid 2GSH and resid  44 and name HN  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.50 !665
assign  (segid 2GSH and resid  15 and name HN  )
       ((segid 2GSH and resid  11 and name HB# ) or (segid 2GSH and resid  18 and name HG# )) 1.8 0.0 3.44 !671
assign  (segid 2GSH and resid  68 and name HN  )
       ((segid 2GSH and resid  67 and name HG* ) or (segid 2GSH and resid  67 and name HG* )
     or (segid 2GSH and resid  68 and name HG* ))                                             1.8 0.0 2.89 !718
assign  (segid 2GSH and resid  53 and name HN  )
       ((segid 2GSH and resid  53 and name HD# ) or (segid 1SHC and resid   5 and name HD# )
     or (segid 1SHC and resid   5 and name HE# ))                                             1.8 0.0 2.59 !733
assign  (segid 2GSH and resid  90 and name HN  )
       ((segid 2GSH and resid  89 and name HE# ) or (segid 2GSH and resid  90 and name HE# )) 1.8 0.0 3.47 !752
assign  (segid 2GSH and resid  90 and name HN  )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HB# )
     or (segid 2GSH and resid  90 and name HG# ))                                             1.8 0.0 2.61 !757
assign  (segid 2GSH and resid  69 and name HN  )
       ((segid 2GSH and resid  69 and name HG# ) or (segid 2GSH and resid  69 and name HD# )) 1.8 0.0 2.57 !777
assign  (segid 2GSH and resid  69 and name HN  )
       ((segid 2GSH and resid  69 and name HG# ) or (segid 2GSH and resid  69 and name HD# )) 1.8 0.0 2.73 !778
assign  (segid 2GSH and resid  10 and name HN  )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  32 and name HB# )) 1.8 0.0 3.27 !794
assign  (segid 2GSH and resid  10 and name HN  )
       ((segid 2GSH and resid  10 and name HB  ) or (segid 2GSH and resid  32 and name HB# )) 1.8 0.0 2.24 !795
assign  (segid 2GSH and resid  10 and name HN  )
       ((segid 2GSH and resid   9 and name HG# ) or (segid 2GSH and resid  31 and name HB# )) 1.8 0.0 3.19 !798
assign  (segid 2GSH and resid  58 and name HN  )
       ((segid 2GSH and resid  57 and name HA  ) or (segid 2GSH and resid  63 and name HA  )) 1.8 0.0 1.75 !869
assign  (segid 2GSH and resid  17 and name HN  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 4.36 !883
assign  (segid 2GSH and resid  17 and name HN  )
       ((segid 2GSH and resid  16 and name HN  ) or (segid 2GSH and resid  18 and name HN  )) 1.8 0.0 1.52 !922
assign  (segid 2GSH and resid  17 and name HN  )
       ((segid 2GSH and resid  14 and name HB# ) or (segid 2GSH and resid  18 and name HB# )) 1.8 0.0 3.46 !928
assign  (segid 2GSH and resid  85 and name HN  )
       ((segid 2GSH and resid  85 and name HB  ) or (segid 2GSH and resid  91 and name HB  )) 1.8 0.0 2.59 !1094
assign  (segid 2GSH and resid  85 and name HN  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  91 and name HD# ))                                             1.8 0.0 2.99 !1095
assign  (segid 2GSH and resid  30 and name HN  )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )
     or (segid 2GSH and resid   6 and name HE# ))                                             1.8 0.0 2.88 !1132
assign  (segid 2GSH and resid  30 and name HN  )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  29 and name HG  )) 1.8 0.0 1.94 !1138
assign  (segid 2GSH and resid  94 and name HE  )
       ((segid 2GSH and resid  94 and name HB# ) or (segid 2GSH and resid  94 and name HG# )) 1.8 0.0 3.31 !1219
assign  (segid 2GSH and resid  93 and name HN  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 3.67 !1239
assign  (segid 2GSH and resid  52 and name HN  )
       ((segid 2GSH and resid  46 and name HD# ) or (segid 2GSH and resid  52 and name HE1 )) 1.8 0.0 2.58 !1283
assign  (segid 2GSH and resid  52 and name HN  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 4.26 !1289
assign  (segid 2GSH and resid  93 and name HN  )
       ((segid 2GSH and resid  80 and name HB# ) or (segid 2GSH and resid  92 and name HB# )) 1.8 0.0 3.34 !1294
assign  (segid 2GSH and resid  49 and name HN  )
       ((segid 2GSH and resid  45 and name HA  ) or (segid 2GSH and resid  50 and name HA  )) 1.8 0.0 3.06 !1307
assign  (segid 2GSH and resid  52 and name HN  )
       ((segid 1SHC and resid   5 and name HN  ) or (segid 1SHC and resid   6 and name HN  )) 1.8 0.0 2.87 !1334
assign  (segid 2GSH and resid  28 and name HN  )
       ((segid 2GSH and resid  94 and name HB# ) or (segid 2GSH and resid  94 and name HG# )
     or (segid 2GSH and resid  96 and name HG1#))                                             1.8 0.0 3.38 !1346
assign  (segid 2GSH and resid  28 and name HN  )
       ((segid 2GSH and resid  93 and name HB# ) or (segid 2GSH and resid  96 and name HG2#)) 1.8 0.0 3.32 !1348
assign  (segid 2GSH and resid  28 and name HN  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 4.36 !1349
assign  (segid 2GSH and resid  40 and name HN  )
       ((segid 2GSH and resid  39 and name HB# ) or (segid 2GSH and resid  40 and name HB# )) 1.8 0.0 2.82 !1356
assign  (segid 2GSH and resid  71 and name HN  )
       ((segid 2GSH and resid  70 and name HA  ) or (segid 2GSH and resid  71 and name HA  )) 1.8 0.0 1.49 !1383
assign  (segid 2GSH and resid  71 and name HN  )
       ((segid 2GSH and resid  75 and name HB# ) or (segid 2GSH and resid  75 and name HG# )) 1.8 0.0 3.59 !1387
assign  (segid 2GSH and resid  71 and name HN  )
       ((segid 2GSH and resid  75 and name HB# ) or (segid 2GSH and resid  76 and name HA  )) 1.8 0.0 3.33 !1388
assign  (segid 2GSH and resid  13 and name HN  )
       ((segid 2GSH and resid  15 and name HN  ) or (segid 2GSH and resid  16 and name HN  )) 1.8 0.0 3.01 !1394
assign  (segid 2GSH and resid  13 and name HN  )
       ((segid 2GSH and resid  11 and name HB# ) or (segid 2GSH and resid  12 and name HB# )) 1.8 0.0 2.35 !1399
assign  (segid 2GSH and resid  19 and name HN  )
       ((segid 2GSH and resid  16 and name HN  ) or (segid 2GSH and resid  18 and name HN  )) 1.8 0.0 1.96 !1442
assign  (segid 2GSH and resid  19 and name HN  )
       ((segid 2GSH and resid  17 and name HA  ) or (segid 2GSH and resid  19 and name HA  )) 1.8 0.0 1.86 !1444
assign  (segid 2GSH and resid  19 and name HN  )
       ((segid 2GSH and resid  18 and name HB# ) or (segid 2GSH and resid  19 and name HB# )) 1.8 0.0 1.75 !1446
assign  (segid 2GSH and resid  19 and name HN  )
       ((segid 2GSH and resid  18 and name HE# ) or (segid 2GSH and resid  19 and name HG  )) 1.8 0.0 1.88 !1447
assign  (segid 2GSH and resid  75 and name HN  )
       ((segid 2GSH and resid  70 and name HB# ) or (segid 2GSH and resid  74 and name HB# )
     or (segid 2GSH and resid  74 and name HB# ))                                             1.8 0.0 2.67 !1461
assign  (segid 2GSH and resid  75 and name HN  )
       ((segid 2GSH and resid  73 and name HB# ) or (segid 2GSH and resid  76 and name HB# )) 1.8 0.0 3.40 !1464
assign  (segid 2GSH and resid  89 and name HN  )
       ((segid 2GSH and resid  88 and name HD# ) or (segid 2GSH and resid  89 and name HE# )) 1.8 0.0 3.41 !1465
assign  (segid 2GSH and resid  22 and name HN  )
       ((segid 2GSH and resid  19 and name HN  ) or (segid 2GSH and resid  20 and name HN  )
     or (segid 2GSH and resid  22 and name HE# ))                                             1.8 0.0 2.87 !1467
assign  (segid 2GSH and resid  22 and name HN  )
       ((segid 2GSH and resid  22 and name HE# ) or (segid 2GSH and resid  24 and name HN  )) 1.8 0.0 3.30 !1468
assign  (segid 2GSH and resid  22 and name HN  )
       ((segid 2GSH and resid  18 and name HE# ) or (segid 2GSH and resid  21 and name HB# )
     or (segid 2GSH and resid  45 and name HB# ))                                             1.8 0.0 3.10 !1481
assign  (segid 2GSH and resid  22 and name HN  )
       ((segid 2GSH and resid  21 and name HG# ) or (segid 2GSH and resid  45 and name HD# )) 1.8 0.0 3.16 !1482
assign  (segid 2GSH and resid  89 and name HN  )
       ((segid 2GSH and resid  87 and name HN  ) or (segid 2GSH and resid  90 and name HN  )) 1.8 0.0 2.96 !1507
assign  (segid 2GSH and resid  89 and name HN  )
       ((segid 2GSH and resid  85 and name HA  ) or (segid 2GSH and resid  86 and name HB# )) 1.8 0.0 3.18 !1513
assign  (segid 2GSH and resid  89 and name HN  )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HG# )) 1.8 0.0 2.94 !1516
assign  (segid 2GSH and resid  89 and name HN  )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HB# )
     or (segid 2GSH and resid  90 and name HB# ) or (segid 2GSH and resid  90 and name HG# )) 1.8 0.0 3.37 !1517
assign  (segid 2GSH and resid  14 and name HN  )
       ((segid 2GSH and resid  11 and name HD# ) or (segid 2GSH and resid  12 and name HA  )) 1.8 0.0 2.96 !1533
assign  (segid 2GSH and resid  18 and name HN  )
       ((segid 2GSH and resid  19 and name HN  ) or (segid 2GSH and resid  20 and name HN  )) 1.8 0.0 1.94 !1589
assign  (segid 2GSH and resid  41 and name HN  )
       ((segid 2GSH and resid  40 and name HA  ) or (segid 2GSH and resid  41 and name HA  )) 1.8 0.0 1.51 !1618
assign  (segid 2GSH and resid  41 and name HN  )
       ((segid 2GSH and resid  30 and name HG1#) or (segid 2GSH and resid  54 and name HD# )) 1.8 0.0 3.25 !1625
assign  (segid 2GSH and resid  41 and name HN  )
       ((segid 2GSH and resid  30 and name HG2#) or (segid 2GSH and resid  54 and name HB# )
     or (segid 2GSH and resid  54 and name HD# ))                                             1.8 0.0 3.25 !1626
assign  (segid 2GSH and resid  64 and name HN  )
       ((segid 2GSH and resid  63 and name HB# ) or (segid 2GSH and resid  64 and name HB# )) 1.8 0.0 2.65 !1635
assign  (segid 2GSH and resid  64 and name HN  )
       ((segid 2GSH and resid  56 and name HB# ) or (segid 2GSH and resid  56 and name HD* )
     or (segid 2GSH and resid  56 and name HD* ))                                             1.8 0.0 4.17 !1642
assign  (segid 2GSH and resid  31 and name HE  )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 3.25 !1652
assign  (segid 2GSH and resid  24 and name HN  )
       ((segid 2GSH and resid  22 and name HA  ) or (segid 2GSH and resid  23 and name HA  )) 1.8 0.0 2.26 !1671
assign  (segid 2GSH and resid  16 and name HN  )
       ((segid 2GSH and resid  15 and name HA  ) or (segid 2GSH and resid  16 and name HA  )) 1.8 0.0 1.87 !1758
assign  (segid 2GSH and resid  16 and name HN  )
       ((segid 2GSH and resid  11 and name HG# ) or (segid 2GSH and resid  16 and name HB# )
     or (segid 2GSH and resid  16 and name HG# ))                                             1.8 0.0 2.31 !1761
assign  (segid 2GSH and resid  57 and name HN  )
       ((segid 2GSH and resid  56 and name HB# ) or (segid 2GSH and resid  56 and name HD* )
     or (segid 2GSH and resid  56 and name HD* ))                                             1.8 0.0 2.73 !1772
assign  (segid 2GSH and resid  74 and name HN  )
       ((segid 2GSH and resid  74 and name HB# ) or (segid 2GSH and resid  74 and name HB# )) 1.8 0.0 2.50 !1793
assign  (segid 2GSH and resid  57 and name HE  )
       ((segid 2GSH and resid  57 and name HB# ) or (segid 2GSH and resid  57 and name HG# )) 1.8 0.0 3.31 !1803
assign ((segid 2GSH and resid  35 and name HN  ) or (segid 2GSH and resid  38 and name HN  ))
        (segid 2GSH and resid  36 and name HN  )                                              1.8 0.0 2.78 !1839
assign  (segid 2GSH and resid  20 and name HN  )
       ((segid 2GSH and resid  18 and name HE# ) or (segid 2GSH and resid  19 and name HG  )
     or (segid 2GSH and resid  45 and name HB# ))                                             1.8 0.0 3.41 !1846
assign  (segid 2GSH and resid  38 and name HN  )
       ((segid 2GSH and resid  32 and name HB# ) or (segid 2GSH and resid  37 and name HB# )) 1.8 0.0 3.03 !1886
assign  (segid 2GSH and resid  35 and name HN  )
       ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  35 and name HB# )) 1.8 0.0 2.84 !1888
assign  (segid 2GSH and resid  20 and name HN  )
       ((segid 2GSH and resid  17 and name HA  ) or (segid 2GSH and resid  20 and name HA  )) 1.8 0.0 1.60 !1897
assign  (segid 2GSH and resid  20 and name HN  )
       ((segid 2GSH and resid  16 and name HB# ) or (segid 2GSH and resid  16 and name HG# )
     or (segid 2GSH and resid  17 and name HG# ) or (segid 2GSH and resid  18 and name HB# )
     or (segid 2GSH and resid  21 and name HB# ))                                             1.8 0.0 3.86 !1898
assign  (segid 2GSH and resid  74 and name HD# )
       ((segid 2GSH and resid  74 and name HB# ) or (segid 2GSH and resid  74 and name HB# )) 1.8 0.0 3.80 !1918
assign  (segid 2GSH and resid  90 and name HE# )
       ((segid 2GSH and resid  90 and name HB# ) or (segid 2GSH and resid  90 and name HG# )) 1.8 0.0 3.40 !2010
assign  (segid 2GSH and resid  90 and name HE# )
       ((segid 2GSH and resid  90 and name HB# ) or (segid 2GSH and resid  90 and name HG# )) 1.8 0.0 4.18 !2017
assign  (segid 2GSH and resid  29 and name HN  )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  29 and name HG  )) 1.8 0.0 1.96 !2101
assign  (segid 2GSH and resid  26 and name HN  )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  27 and name HA  )) 1.8 0.0 2.30 !2136
assign  (segid 2GSH and resid  26 and name HN  )
       ((segid 2GSH and resid  27 and name HB# ) or (segid 2GSH and resid  45 and name HG# )) 1.8 0.0 3.40 !2140
assign  (segid 2GSH and resid  26 and name HN  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 3.60 !2143
assign  (segid 2GSH and resid  86 and name HN  )
       ((segid 2GSH and resid  87 and name HB# ) or (segid 2GSH and resid  91 and name HB  )) 1.8 0.0 3.01 !2192
assign  (segid 2GSH and resid  86 and name HN  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 3.41 !2193
assign  (segid 2GSH and resid  72 and name HN  )
       ((segid 2GSH and resid  69 and name HA  ) or (segid 2GSH and resid  72 and name HA  )) 1.8 0.0 2.03 !2241
assign  (segid 2GSH and resid  51 and name HE# )
       ((segid 2GSH and resid  46 and name HB# ) or (segid 2GSH and resid  52 and name HB# )
     or (segid 2GSH and resid  52 and name HB# ))                                             1.8 0.0 4.33 !2346
assign  (segid 2GSH and resid   8 and name HN  )
       ((segid 2GSH and resid   7 and name HN  ) or (segid 2GSH and resid   9 and name HN  )) 1.8 0.0 1.80 !2365
assign  (segid 2GSH and resid   8 and name HN  )
       ((segid 2GSH and resid   9 and name HG# ) or (segid 2GSH and resid  30 and name HG2#)) 1.8 0.0 3.62 !2380
set echo=true end
set wrnlev=5 end
remarks   GRB2 SH2 DOMAIN COMPLEXED WITH SHC-PEPTIDE
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  14 and name HB# )) 1.8 0.0 3.08 !14
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 3.84 !15
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid  11 and name HG# ) or (segid 2GSH and resid  11 and name HG# )) 1.8 0.0 2.72 !19
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )) 1.8 0.0 3.46 !21
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid   7 and name HB# ) or (segid 2GSH and resid  11 and name HB# )) 1.8 0.0 3.75 !25
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid  11 and name HG# ) or (segid 2GSH and resid  11 and name HG# )) 1.8 0.0 2.86 !26
assign  (segid 2GSH and resid  11 and name HD# )
       ((segid 2GSH and resid  10 and name HG2#) or (segid 2GSH and resid  10 and name HG1#)) 1.8 0.0 3.77 !27
assign  (segid 2GSH and resid 100 and name HD# )
       ((segid 2GSH and resid 100 and name HB# ) or (segid 2GSH and resid 103 and name HB# )) 1.8 0.0 3.38 !57
assign  (segid 2GSH and resid 100 and name HD# )
       ((segid 2GSH and resid  98 and name HB# ) or (segid 2GSH and resid 100 and name HG# )
     or (segid 2GSH and resid 100 and name HG# ))                                             1.8 0.0 2.46 !58
assign ((segid 2GSH and resid 100 and name HD# ) or (segid 2GSH and resid 103 and name HD# ))
       ((segid 2GSH and resid 100 and name HB# ) or (segid 2GSH and resid 103 and name HB# )) 1.8 0.0 4.41 !70
assign  (segid 2GSH and resid 100 and name HD# )
       ((segid 2GSH and resid  99 and name HA  ) or (segid 2GSH and resid 100 and name HA  )) 1.8 0.0 1.66 !71
assign  (segid 2GSH and resid 100 and name HD# )
       ((segid 2GSH and resid  98 and name HB# ) or (segid 2GSH and resid 100 and name HG# )
     or (segid 2GSH and resid 103 and name HB# ) or (segid 2GSH and resid 103 and name HG# )) 1.8 0.0 2.39 !74
assign  (segid 2GSH and resid 100 and name HD# )
       ((segid 2GSH and resid  99 and name HG* ) or (segid 2GSH and resid  99 and name HG* )) 1.8 0.0 3.66 !75
assign  (segid 2GSH and resid   4 and name HD# )
       ((segid 2GSH and resid   4 and name HB# ) or (segid 2GSH and resid   4 and name HG# )) 1.8 0.0 2.60 !77
assign  (segid 2GSH and resid  42 and name HB# )
       ((segid 2GSH and resid  42 and name HD* ) or (segid 2GSH and resid  55 and name HG* )) 1.8 0.0 3.54 !372
assign  (segid 2GSH and resid  42 and name HB# )
       ((segid 2GSH and resid  42 and name HD* ) or (segid 2GSH and resid  55 and name HG* )) 1.8 0.0 3.33 !386
assign  (segid 2GSH and resid  42 and name HB# )
       ((segid 2GSH and resid  42 and name HD* ) or (segid 2GSH and resid  65 and name HD* )) 1.8 0.0 3.94 !388
assign  (segid 2GSH and resid  26 and name HA# )
       ((segid 2GSH and resid  45 and name HB# ) or (segid 2GSH and resid  94 and name HB# )) 1.8 0.0 3.27 !402
assign  (segid 2GSH and resid  26 and name HA# )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 3.53 !403
assign  (segid 2GSH and resid  26 and name HA# )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 3.47 !431
assign  (segid 2GSH and resid  28 and name HB# )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 3.98 !499
assign  (segid 2GSH and resid  31 and name HD# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.83 !523
assign  (segid 2GSH and resid  94 and name HD# )
       ((segid 2GSH and resid  94 and name HB# ) or (segid 2GSH and resid  94 and name HG# )) 1.8 0.0 1.87 !533
assign  (segid 2GSH and resid  70 and name HB# )
       ((segid 2GSH and resid  70 and name HA  ) or (segid 2GSH and resid  71 and name HA  )) 1.8 0.0 2.74 !565
assign ((segid 2GSH and resid  94 and name HD# ) or (segid 2GSH and resid  81 and name HD# ))
        (segid 2GSH and resid  94 and name HA  )                                              1.8 0.0 2.97 !575
assign  (segid 2GSH and resid  70 and name HB# )
       ((segid 2GSH and resid  70 and name HA  ) or (segid 2GSH and resid  71 and name HA  )) 1.8 0.0 2.93 !583
assign ((segid 2GSH and resid  45 and name HE# ) or (segid 2GSH and resid  57 and name HD# ))
       ((segid 2GSH and resid  22 and name HA  ) or (segid 2GSH and resid  23 and name HA  )
     or (segid 2GSH and resid  61 and name HA# ))                                             1.8 0.0 4.52 !662
assign  (segid 2GSH and resid  45 and name HE# )
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 3.58 !663
assign  (segid 2GSH and resid  57 and name HD# )
       ((segid 2GSH and resid  57 and name HA  ) or (segid 2GSH and resid  57 and name HE  )
     or (segid 2GSH and resid  63 and name HA  ))                                             1.8 0.0 2.59 !698
assign  (segid 2GSH and resid  19 and name HB# )
       ((segid 2GSH and resid  19 and name HG  ) or (segid 2GSH and resid  45 and name HB# )) 1.8 0.0 3.08 !761
assign  (segid 2GSH and resid  76 and name HB# )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 3.64 !770
assign ((segid 2GSH and resid  19 and name HB# ) or (segid 2GSH and resid  73 and name HB# ))
       ((segid 2GSH and resid  19 and name HG  ) or (segid 2GSH and resid  76 and name HB# )) 1.8 0.0 3.18 !786
assign  (segid 2GSH and resid  40 and name HB# )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 3.19 !823
assign  (segid 2GSH and resid  53 and name HB# )
       ((segid 2GSH and resid  41 and name HB# ) or (segid 2GSH and resid  66 and name HB# )
     or (segid 1SHC and resid   6 and name HA  ))                                             1.8 0.0 3.36 !840
assign  (segid 2GSH and resid   9 and name HE# )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid   9 and name HD# )) 1.8 0.0 1.80 !848
assign ((segid 2GSH and resid   9 and name HE# ) or (segid 2GSH and resid  53 and name HB# ))
       ((segid 2GSH and resid   9 and name HG# ) or (segid 2GSH and resid  54 and name HB# )) 1.8 0.0 3.16 !850
assign  (segid 2GSH and resid  40 and name HB# )
       ((segid 2GSH and resid  30 and name HB  ) or (segid 2GSH and resid  55 and name HB  )) 1.8 0.0 3.01 !865
assign  (segid 2GSH and resid  53 and name HB# )
       ((segid 2GSH and resid  65 and name HD* ) or (segid 1SHC and resid   6 and name HG* )) 1.8 0.0 4.21 !878
assign  (segid 2GSH and resid  73 and name HB# )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 2.92 !899
assign ((segid 2GSH and resid  73 and name HB# ) or (segid 2GSH and resid  76 and name HB# ))
        (segid 2GSH and resid  73 and name HA  )                                              1.8 0.0 3.14 !903
assign  (segid 2GSH and resid  64 and name HB# )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 4.14 !941
assign  (segid 2GSH and resid  64 and name HB# )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 3.71 !949
assign  (segid 2GSH and resid  63 and name HB# )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 3.93 !954
assign  (segid 2GSH and resid  46 and name HB# )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 4.17 !984
assign  (segid 2GSH and resid  25 and name HB# )
       ((segid 2GSH and resid  45 and name HE# ) or (segid 2GSH and resid  48 and name HB# )) 1.8 0.0 3.66 !987
assign  (segid 2GSH and resid   7 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.58 !1035
assign ((segid 2GSH and resid  25 and name HB# ) or (segid 2GSH and resid  46 and name HB# ))
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 3.62 !1045
assign  (segid 2GSH and resid   7 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.47 !1054
assign  (segid 2GSH and resid  54 and name HE# )
       ((segid 2GSH and resid  54 and name HG# ) or (segid 1SHC and resid   8 and name HG* )) 1.8 0.0 4.13 !1092
assign  (segid 2GSH and resid  54 and name HE# )
       ((segid 2GSH and resid  54 and name HG# ) or (segid 1SHC and resid   8 and name HG* )) 1.8 0.0 4.12 !1094
assign  (segid 2GSH and resid  91 and name HB  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 2.76 !1143
assign  (segid 2GSH and resid  10 and name HB  )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 2.38 !1171
assign  (segid 2GSH and resid  30 and name HB  )
       ((segid 2GSH and resid   6 and name HA  ) or (segid 2GSH and resid  42 and name HA  )) 1.8 0.0 2.25 !1197
assign  (segid 2GSH and resid  30 and name HB  )
       ((segid 2GSH and resid  30 and name HD# ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 2.96 !1199
assign  (segid 2GSH and resid  30 and name HB  )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 1.96 !1200
assign  (segid 2GSH and resid  93 and name HB# )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 4.15 !1220
assign  (segid 2GSH and resid  74 and name HB# )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 3.14 !1284
assign  (segid 2GSH and resid  63 and name HD# )
       ((segid 2GSH and resid  57 and name HB# ) or (segid 2GSH and resid  57 and name HG# )
     or (segid 2GSH and resid  73 and name HB# ))                                             1.8 0.0 3.93 !1323
assign  (segid 2GSH and resid  75 and name HG# )
       ((segid 2GSH and resid  72 and name HB# ) or (segid 2GSH and resid  75 and name HA  )) 1.8 0.0 2.44 !1345
assign  (segid 2GSH and resid  97 and name HG# )
       ((segid 2GSH and resid  97 and name HB# ) or (segid 2GSH and resid  97 and name HB# )) 1.8 0.0 1.93 !1415
assign  (segid 2GSH and resid  97 and name HG# )
       ((segid 2GSH and resid  97 and name HB# ) or (segid 2GSH and resid  97 and name HB# )) 1.8 0.0 1.89 !1419
assign  (segid 2GSH and resid   6 and name HD# )
       ((segid 2GSH and resid   6 and name HB# ) or (segid 2GSH and resid   7 and name HB# )) 1.8 0.0 3.52 !1436
assign  (segid 2GSH and resid  44 and name HB  )
       ((segid 2GSH and resid  46 and name HE# ) or (segid 2GSH and resid  53 and name HE# )) 1.8 0.0 2.82 !1459
assign  (segid 2GSH and resid  44 and name HB  )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )) 1.8 0.0 2.84 !1461
assign  (segid 2GSH and resid  44 and name HB  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 1.99 !1463
assign  (segid 2GSH and resid  44 and name HB  )
       ((segid 2GSH and resid  42 and name HD* ) or (segid 2GSH and resid  50 and name HG* )) 1.8 0.0 3.31 !1464
assign  (segid 2GSH and resid  44 and name HB  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 3.63 !1465
assign  (segid 2GSH and resid  40 and name HE# )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 1.59 !1472
assign  (segid 2GSH and resid  40 and name HD# )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 4.04 !1475
assign  (segid 2GSH and resid  40 and name HD# )
       ((segid 2GSH and resid  30 and name HB  ) or (segid 2GSH and resid  55 and name HB  )) 1.8 0.0 3.21 !1481
assign  (segid 2GSH and resid   7 and name HD# )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  29 and name HG  )) 1.8 0.0 2.64 !1546
assign  (segid 2GSH and resid   7 and name HD# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.39 !1547
assign  (segid 2GSH and resid  64 and name HE# )
       ((segid 2GSH and resid  56 and name HB# ) or (segid 2GSH and resid  56 and name HD* )
     or (segid 2GSH and resid  56 and name HD* ))                                             1.8 0.0 4.25 !1553
assign  (segid 2GSH and resid  53 and name HD# )
       ((segid 2GSH and resid  46 and name HE# ) or (segid 2GSH and resid  53 and name HE# )) 1.8 0.0 2.45 !1554
assign  (segid 2GSH and resid  53 and name HD# )
       ((segid 2GSH and resid  53 and name HB# ) or (segid 1SHC and resid   5 and name HB# )) 1.8 0.0 3.54 !1556
assign  (segid 2GSH and resid  53 and name HD# )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 4.02 !1557
assign  (segid 2GSH and resid   6 and name HZ  )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 2.49 !1591
assign  (segid 2GSH and resid  53 and name HD# )
       ((segid 2GSH and resid  53 and name HB# ) or (segid 1SHC and resid   5 and name HB# )) 1.8 0.0 3.30 !1596
assign  (segid 2GSH and resid  92 and name HD# )
       ((segid 2GSH and resid  81 and name HG# ) or (segid 2GSH and resid  90 and name HB# )) 1.8 0.0 3.54 !1601
assign  (segid 2GSH and resid  45 and name HB# )
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 3.12 !1623
assign  (segid 2GSH and resid  67 and name HB  )
       ((segid 2GSH and resid  67 and name HG* ) or (segid 2GSH and resid  68 and name HG* )) 1.8 0.0 2.29 !1667
assign  (segid 2GSH and resid  45 and name HB# )
       ((segid 2GSH and resid  27 and name HB# ) or (segid 2GSH and resid  45 and name HG# )) 1.8 0.0 3.38 !1669
assign  (segid 2GSH and resid  45 and name HB# )
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 3.08 !1670
assign  (segid 2GSH and resid  52 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.19 !1745
assign  (segid 2GSH and resid  94 and name HB# )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )
     or (segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 3.30 !1752
assign  (segid 2GSH and resid  94 and name HB# )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )
     or (segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 3.17 !1757
assign ((segid 2GSH and resid  31 and name HB# ) or (segid 2GSH and resid  51 and name HG# ))
       ((segid 2GSH and resid  29 and name HG  ) or (segid 2GSH and resid  51 and name HB# )) 1.8 0.0 3.46 !1814
assign  (segid 2GSH and resid  31 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.82 !1817
assign ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HG# ))
       ((segid 2GSH and resid  89 and name HA  ) or (segid 2GSH and resid  83 and name HA  )) 1.8 0.0 3.46 !1823
assign  (segid 2GSH and resid  18 and name HB# )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 4.32 !1825
assign  (segid 2GSH and resid  18 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 4.15 !1831
assign  (segid 2GSH and resid  90 and name HG# )
       ((segid 2GSH and resid  83 and name HA  ) or (segid 2GSH and resid  89 and name HA  )) 1.8 0.0 2.74 !1838
assign  (segid 2GSH and resid  18 and name HB# )
       ((segid 2GSH and resid  15 and name HA  ) or (segid 2GSH and resid  16 and name HA  )
     or (segid 2GSH and resid  20 and name HB# ))                                             1.8 0.0 3.55 !1839
assign  (segid 2GSH and resid  50 and name HB  )
       ((segid 2GSH and resid  45 and name HA  ) or (segid 2GSH and resid  50 and name HA  )) 1.8 0.0 2.37 !1844
assign  (segid 2GSH and resid  31 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.68 !1856
assign  (segid 2GSH and resid  11 and name HB# )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 3.87 !1938
assign  (segid 2GSH and resid  11 and name HB# )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 4.00 !1966
assign  (segid 2GSH and resid  99 and name HB  )
       ((segid 2GSH and resid  99 and name HG* ) or (segid 2GSH and resid  99 and name HG* )) 1.8 0.0 1.87 !1972
assign  (segid 2GSH and resid  62 and name HB# )
       ((segid 2GSH and resid  60 and name HB# ) or (segid 2GSH and resid  69 and name HB# )) 1.8 0.0 2.85 !1973
assign  (segid 2GSH and resid  57 and name HB# )
       ((segid 2GSH and resid  57 and name HA  ) or (segid 2GSH and resid  57 and name HE  )) 1.8 0.0 2.86 !1977
assign  (segid 2GSH and resid  89 and name HB# )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HB# )
     or (segid 2GSH and resid  90 and name HG# ))                                             1.8 0.0 3.33 !1980
assign  (segid 2GSH and resid  57 and name HB# )
       ((segid 2GSH and resid  57 and name HA  ) or (segid 2GSH and resid  57 and name HE  )) 1.8 0.0 2.85 !1982
assign  (segid 2GSH and resid  89 and name HB# )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HG# )) 1.8 0.0 3.61 !1986
assign ((segid 2GSH and resid 100 and name HB# ) or (segid 2GSH and resid 103 and name HB# ))
       ((segid 2GSH and resid 100 and name HD# ) or (segid 2GSH and resid 103 and name HD# )) 1.8 0.0 4.50 !2013
assign  (segid 2GSH and resid  89 and name HB# )
       ((segid 2GSH and resid  89 and name HG# ) or (segid 2GSH and resid  90 and name HB# )
     or (segid 2GSH and resid  90 and name HG# ))                                             1.8 0.0 3.60 !2027
assign ((segid 2GSH and resid  62 and name HB# ) or (segid 2GSH and resid 103 and name HB# ))
       ((segid 2GSH and resid  62 and name HA  ) or (segid 2GSH and resid 103 and name HA  )) 1.8 0.0 3.54 !2073
assign  (segid 2GSH and resid 100 and name HB# )
       ((segid 2GSH and resid 100 and name HD# ) or (segid 2GSH and resid 103 and name HD# )) 1.8 0.0 3.08 !2075
assign ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  68 and name HB  ))
       ((segid 2GSH and resid  11 and name HD# ) or (segid 2GSH and resid  66 and name HB# )
     or (segid 2GSH and resid  68 and name HA  ))                                             1.8 0.0 3.50 !2076
assign  (segid 2GSH and resid  68 and name HB  )
       ((segid 2GSH and resid  67 and name HG* ) or (segid 2GSH and resid  68 and name HG* )) 1.8 0.0 2.42 !2077
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 2GSH and resid  54 and name HA  ) or (segid 1SHC and resid   8 and name HA  )) 1.8 0.0 2.87 !2088
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 2GSH and resid  54 and name HG# ) or (segid 2GSH and resid  65 and name HB# )
     or (segid 1SHC and resid   8 and name HG* ))                                             1.8 0.0 3.43 !2095
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 2GSH and resid  56 and name HD* ) or (segid 2GSH and resid  56 and name HD* )) 1.8 0.0 4.32 !2096
assign ((segid 2GSH and resid   4 and name HB# ) or (segid 2GSH and resid  37 and name HB# ))
       ((segid 2GSH and resid   4 and name HD# ) or (segid 2GSH and resid  37 and name HD# )) 1.8 0.0 4.14 !2127
assign  (segid 2GSH and resid  14 and name HB# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.43 !2138
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 2GSH and resid  56 and name HD* ) or (segid 2GSH and resid  56 and name HD* )) 1.8 0.0 4.13 !2146
assign  (segid 2GSH and resid  18 and name HG# )
       ((segid 2GSH and resid  14 and name HG# ) or (segid 2GSH and resid  15 and name HB# )) 1.8 0.0 3.85 !2182
assign  (segid 2GSH and resid  18 and name HG# )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )
     or (segid 2GSH and resid  96 and name HD# ))                                             1.8 0.0 4.39 !2186
assign ((segid 2GSH and resid  18 and name HG# ) or (segid 2GSH and resid  75 and name HB# ))
       ((segid 2GSH and resid   7 and name HD# ) or (segid 2GSH and resid  70 and name HD# )) 1.8 0.0 4.34 !2187
assign  (segid 2GSH and resid  75 and name HB# )
       ((segid 2GSH and resid  72 and name HB# ) or (segid 2GSH and resid  75 and name HA  )) 1.8 0.0 2.80 !2191
assign ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  14 and name HB# ))
        (segid 2GSH and resid  10 and name HA  )                                              1.8 0.0 3.86 !2194
assign ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  14 and name HB# ))
       ((segid 2GSH and resid   9 and name HG# ) or (segid 2GSH and resid  13 and name HB# )) 1.8 0.0 3.73 !2195
assign  (segid 2GSH and resid  77 and name HB  )
       ((segid 2GSH and resid  74 and name HA  ) or (segid 2GSH and resid  78 and name HA  )) 1.8 0.0 2.07 !2208
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 2GSH and resid  12 and name HA  ) or (segid 2GSH and resid  31 and name HD# )) 1.8 0.0 3.21 !2231
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 2GSH and resid  12 and name HD# ) or (segid 2GSH and resid  52 and name HB# )) 1.8 0.0 3.74 !2233
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  12 and name HG# )) 1.8 0.0 3.66 !2234
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 2GSH and resid  12 and name HD# ) or (segid 2GSH and resid  52 and name HB# )) 1.8 0.0 3.68 !2239
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 2GSH and resid  12 and name HA  ) or (segid 2GSH and resid  31 and name HD# )) 1.8 0.0 3.35 !2241
assign  (segid 2GSH and resid  81 and name HB# )
       ((segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 3.19 !2267
assign ((segid 2GSH and resid  98 and name HB# ) or (segid 2GSH and resid 102 and name HB# ))
       ((segid 2GSH and resid  98 and name HG# ) or (segid 2GSH and resid 102 and name HG# )) 1.8 0.0 1.77 !2398
assign  (segid 2GSH and resid  30 and name HG1#)
       ((segid 2GSH and resid  30 and name HD# ) or (segid 2GSH and resid  55 and name HG* )) 1.8 0.0 3.17 !2409
assign  (segid 2GSH and resid  30 and name HG1#)
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 3.40 !2410
assign  (segid 2GSH and resid  22 and name HB# )
       ((segid 2GSH and resid  21 and name HB# ) or (segid 2GSH and resid  45 and name HB# )) 1.8 0.0 3.64 !2449
assign  (segid 2GSH and resid  96 and name HG1#)
       ((segid 2GSH and resid  19 and name HB# ) or (segid 2GSH and resid  96 and name HB  )) 1.8 0.0 2.95 !2461
assign  (segid 2GSH and resid  45 and name HD# )
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 2.80 !2466
assign  (segid 2GSH and resid  45 and name HD# )
       ((segid 2GSH and resid  22 and name HG# ) or (segid 2GSH and resid  45 and name HB# )) 1.8 0.0 3.01 !2469
assign  (segid 2GSH and resid  45 and name HD# )
       ((segid 2GSH and resid  45 and name HB# ) or (segid 2GSH and resid  50 and name HB  )) 1.8 0.0 1.72 !2470
assign  (segid 2GSH and resid   5 and name HZ2 )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 1.79 !2488
assign  (segid 2GSH and resid   5 and name HZ2 )
       ((segid 2GSH and resid  73 and name HB# ) or (segid 2GSH and resid  76 and name HB# )) 1.8 0.0 3.05 !2491
assign  (segid 2GSH and resid  22 and name HB# )
       ((segid 2GSH and resid  23 and name HG# ) or (segid 2GSH and resid  27 and name HB# )
     or (segid 2GSH and resid  45 and name HG# ))                                             1.8 0.0 3.14 !2516
assign  (segid 2GSH and resid  12 and name HG# )
       ((segid 2GSH and resid  12 and name HA  ) or (segid 2GSH and resid  31 and name HD# )) 1.8 0.0 3.53 !2563
assign  (segid 2GSH and resid  12 and name HG# )
       ((segid 2GSH and resid  11 and name HB# ) or (segid 2GSH and resid  12 and name HB# )) 1.8 0.0 3.66 !2564
assign  (segid 2GSH and resid  42 and name HG  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 3.17 !2606
assign  (segid 2GSH and resid  76 and name HD* )
       ((segid 2GSH and resid  64 and name HD# ) or (segid 2GSH and resid  79 and name HE# )) 1.8 0.0 5.20 !2621
assign  (segid 2GSH and resid  76 and name HD* )
       ((segid 2GSH and resid  63 and name HB# ) or (segid 2GSH and resid  70 and name HB# )) 1.8 0.0 4.16 !2625
assign  (segid 2GSH and resid  80 and name HB# )
       ((segid 2GSH and resid  68 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  85 and name HG* ))                                             1.8 0.0 4.78 !2651
assign ((segid 2GSH and resid 100 and name HG# ) or (segid 2GSH and resid 103 and name HG# ))
       ((segid 2GSH and resid 100 and name HD# ) or (segid 2GSH and resid 103 and name HD# )) 1.8 0.0 3.18 !2657
assign ((segid 2GSH and resid 100 and name HG# ) or (segid 2GSH and resid 103 and name HG# ))
       ((segid 2GSH and resid 100 and name HB# ) or (segid 2GSH and resid 103 and name HB# )) 1.8 0.0 1.71 !2660
assign  (segid 2GSH and resid 100 and name HG# )
       ((segid 2GSH and resid  99 and name HA  ) or (segid 2GSH and resid 100 and name HA  )) 1.8 0.0 2.71 !2661
assign ((segid 2GSH and resid   4 and name HG# ) or (segid 2GSH and resid  37 and name HG# ))
       ((segid 2GSH and resid   4 and name HD# ) or (segid 2GSH and resid  37 and name HD# )) 1.8 0.0 3.37 !2665
assign ((segid 2GSH and resid  54 and name HD# ) or (segid 2GSH and resid  76 and name HG  ))
       ((segid 1SHC and resid   8 and name HG* ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 3.05 !2678
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  29 and name HG  )) 1.8 0.0 2.76 !2691
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid  10 and name HG2#) or (segid 2GSH and resid  96 and name HG1#)) 1.8 0.0 4.83 !2693
assign  (segid 2GSH and resid  80 and name HB# )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 4.20 !2724
assign  (segid 2GSH and resid  54 and name HD# )
       ((segid 2GSH and resid  56 and name HD* ) or (segid 2GSH and resid  56 and name HD* )) 1.8 0.0 4.10 !2750
assign  (segid 2GSH and resid  81 and name HG# )
       ((segid 2GSH and resid   5 and name HB# ) or (segid 2GSH and resid  92 and name HB# )) 1.8 0.0 3.19 !2797
assign  (segid 2GSH and resid  94 and name HG# )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 2.23 !2801
assign ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  57 and name HG# ))
       ((segid 2GSH and resid  14 and name HB# ) or (segid 2GSH and resid  62 and name HB# )) 1.8 0.0 3.96 !2807
assign ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  57 and name HG# ))
       ((segid 2GSH and resid  10 and name HB  ) or (segid 2GSH and resid  57 and name HB# )) 1.8 0.0 3.12 !2808
assign  (segid 2GSH and resid  56 and name HG  )
       ((segid 2GSH and resid  56 and name HD* ) or (segid 2GSH and resid  56 and name HD* )) 1.8 0.0 2.23 !2815
assign  (segid 2GSH and resid  94 and name HG# )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  27 and name HA  )) 1.8 0.0 3.16 !2844
assign  (segid 2GSH and resid  10 and name HG1#)
       ((segid 2GSH and resid  11 and name HD# ) or (segid 2GSH and resid  31 and name HD# )) 1.8 0.0 3.42 !2845
assign  (segid 2GSH and resid  10 and name HG1#)
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 2.64 !2848
assign  (segid 2GSH and resid  57 and name HG# )
       ((segid 2GSH and resid  57 and name HA  ) or (segid 2GSH and resid  57 and name HE  )
     or (segid 2GSH and resid  63 and name HA  ))                                             1.8 0.0 3.23 !2854
assign  (segid 2GSH and resid  56 and name HD* )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 5.23 !2863
assign  (segid 2GSH and resid   5 and name HE3 )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 1.78 !2874
assign  (segid 2GSH and resid   5 and name HE3 )
       ((segid 2GSH and resid  29 and name HD* ) or (segid 2GSH and resid  30 and name HD# )) 1.8 0.0 3.42 !2876
assign  (segid 2GSH and resid  42 and name HD* )
       ((segid 2GSH and resid  30 and name HG1#) or (segid 2GSH and resid  44 and name HB  )) 1.8 0.0 4.04 !2903
assign  (segid 2GSH and resid  52 and name HE1 )
       ((segid 2GSH and resid  12 and name HD# ) or (segid 2GSH and resid  52 and name HB# )) 1.8 0.0 2.65 !2929
assign  (segid 2GSH and resid  29 and name HG  )
       ((segid 2GSH and resid  29 and name HD* ) or (segid 2GSH and resid  96 and name HD# )) 1.8 0.0 1.91 !2951
assign  (segid 2GSH and resid  45 and name HG# )
       ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  )
     or (segid 2GSH and resid  50 and name HA  ))                                             1.8 0.0 2.60 !2958
assign  (segid 2GSH and resid  93 and name HG  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 3.12 !2961
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid  30 and name HA  ) or (segid 2GSH and resid  42 and name HA  )) 1.8 0.0 4.87 !2968
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid   5 and name HB# ) or (segid 2GSH and resid   7 and name HB# )) 1.8 0.0 4.88 !2972
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid   7 and name HB# ) or (segid 2GSH and resid  18 and name HG# )) 1.8 0.0 4.39 !2973
assign  (segid 2GSH and resid  29 and name HD* )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  29 and name HG  )
     or (segid 2GSH and resid  45 and name HB# ))                                             1.8 0.0 2.71 !2976
assign  (segid 2GSH and resid  42 and name HD* )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 4.18 !2982
assign  (segid 2GSH and resid  42 and name HD* )
       ((segid 2GSH and resid  30 and name HG1#) or (segid 2GSH and resid  44 and name HB  )) 1.8 0.0 4.04 !2985
assign  (segid 2GSH and resid  42 and name HD* )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  93 and name HB# ))                                             1.8 0.0 4.28 !2988
assign  (segid 2GSH and resid  21 and name HG# )
       ((segid 2GSH and resid  21 and name HB# ) or (segid 2GSH and resid  21 and name HD# )) 1.8 0.0 2.76 !3007
assign  (segid 2GSH and resid   9 and name HG# )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid   9 and name HD# )) 1.8 0.0 1.75 !3010
assign  (segid 2GSH and resid   9 and name HG# )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid   9 and name HD# )) 1.8 0.0 1.96 !3016
assign  (segid 2GSH and resid  93 and name HD* )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  93 and name HB# ))                                             1.8 0.0 4.37 !3042
assign  (segid 2GSH and resid  24 and name HD2 )
       ((segid 2GSH and resid  94 and name HB# ) or (segid 2GSH and resid  94 and name HG# )) 1.8 0.0 2.36 !3055
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid   5 and name HH2 ) or (segid 2GSH and resid   6 and name HE# )
     or (segid 2GSH and resid  40 and name HD# ) or (segid 2GSH and resid  40 and name HZ  )) 1.8 0.0 4.30 !3153
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 3.74 !3157
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid   5 and name HE3 ) or (segid 2GSH and resid   5 and name HZ2 )) 1.8 0.0 4.53 !3161
assign  (segid 2GSH and resid  65 and name HD* )
       ((segid 2GSH and resid  42 and name HB# ) or (segid 2GSH and resid  54 and name HD# )) 1.8 0.0 4.78 !3183
assign  (segid 2GSH and resid  65 and name HD* )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 4.03 !3185
assign  (segid 2GSH and resid  65 and name HD* )
       ((segid 2GSH and resid  65 and name HB# ) or (segid 2GSH and resid  76 and name HD* )) 1.8 0.0 3.82 !3186
assign  (segid 2GSH and resid  76 and name HD* )
       ((segid 2GSH and resid  63 and name HB# ) or (segid 2GSH and resid  70 and name HB# )) 1.8 0.0 3.95 !3214
assign  (segid 2GSH and resid  76 and name HD* )
       ((segid 2GSH and resid  64 and name HD# ) or (segid 2GSH and resid  79 and name HE# )) 1.8 0.0 4.21 !3226
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid   5 and name HE3 ) or (segid 2GSH and resid   5 and name HZ2 )) 1.8 0.0 5.05 !3259
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 3.25 !3264
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 4.64 !3267
assign  (segid 2GSH and resid  73 and name HD* )
       ((segid 2GSH and resid  57 and name HG# ) or (segid 2GSH and resid  73 and name HB# )) 1.8 0.0 4.36 !3268
assign  (segid 2GSH and resid  54 and name HG# )
       ((segid 2GSH and resid  54 and name HD# ) or (segid 2GSH and resid  56 and name HG  )) 1.8 0.0 2.79 !3340
assign  (segid 2GSH and resid  79 and name HE# )
       ((segid 2GSH and resid  68 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  85 and name HG* ))                                             1.8 0.0 4.51 !3353
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  18 and name HB# ) or (segid 2GSH and resid  19 and name HB# )) 1.8 0.0 3.75 !3398
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  19 and name HG  ) or (segid 2GSH and resid  29 and name HB# )
     or (segid 2GSH and resid  45 and name HB# ))                                             1.8 0.0 2.95 !3399
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  50 and name HG* ) or (segid 2GSH and resid  96 and name HG2#)) 1.8 0.0 3.80 !3400
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  29 and name HD* ) or (segid 2GSH and resid  96 and name HD# )) 1.8 0.0 3.04 !3401
assign  (segid 2GSH and resid  50 and name HG* )
       ((segid 2GSH and resid  15 and name HB# ) or (segid 2GSH and resid  45 and name HD# )) 1.8 0.0 3.92 !3459
assign  (segid 2GSH and resid  50 and name HG* )
       ((segid 2GSH and resid  15 and name HB# ) or (segid 2GSH and resid  45 and name HD# )) 1.8 0.0 3.92 !3460
assign  (segid 2GSH and resid  50 and name HG* )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )
     or (segid 1SHC and resid   6 and name HG* ))                                             1.8 0.0 4.07 !3463
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  16 and name HB# ) or (segid 2GSH and resid  22 and name HB# )) 1.8 0.0 4.45 !3477
assign  (segid 2GSH and resid  19 and name HD* )
       ((segid 2GSH and resid  16 and name HB# ) or (segid 2GSH and resid  16 and name HG# )
     or (segid 2GSH and resid  22 and name HG# ))                                             1.8 0.0 3.83 !3478
assign  (segid 2GSH and resid  77 and name HG* )
       ((segid 2GSH and resid   5 and name HE3 ) or (segid 2GSH and resid   5 and name HZ2 )) 1.8 0.0 4.41 !3509
assign  (segid 2GSH and resid  77 and name HG* )
       ((segid 2GSH and resid  30 and name HD# ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.36 !3514
assign  (segid 2GSH and resid  68 and name HG* )
       ((segid 2GSH and resid  66 and name HB# ) or (segid 2GSH and resid  68 and name HA  )) 1.8 0.0 3.07 !3591
assign  (segid 2GSH and resid  93 and name HD* )
       ((segid 2GSH and resid   5 and name HE3 ) or (segid 2GSH and resid   5 and name HZ2 )) 1.8 0.0 4.62 !3647
assign  (segid 2GSH and resid  93 and name HD* )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  93 and name HB# ))                                             1.8 0.0 3.41 !3655
assign ((segid 2GSH and resid  67 and name HG* ) or (segid 2GSH and resid  99 and name HG* ))
       ((segid 2GSH and resid  67 and name HB  ) or (segid 2GSH and resid  99 and name HB  )) 1.8 0.0 3.13 !3704
assign  (segid 2GSH and resid  93 and name HD* )
       ((segid 2GSH and resid  80 and name HB# ) or (segid 2GSH and resid  92 and name HB# )) 1.8 0.0 4.85 !3725
assign  (segid 2GSH and resid  93 and name HD* )
       ((segid 2GSH and resid  76 and name HD* ) or (segid 2GSH and resid  91 and name HG2#)
     or (segid 2GSH and resid  93 and name HB# ))                                             1.8 0.0 4.30 !3726
assign  (segid 2GSH and resid  44 and name HG* )
       ((segid 2GSH and resid  42 and name HB# ) or (segid 2GSH and resid  51 and name HB# )) 1.8 0.0 4.66 !3767
assign  (segid 2GSH and resid  44 and name HG* )
       ((segid 2GSH and resid  46 and name HE# ) or (segid 2GSH and resid  53 and name HE# )) 1.8 0.0 3.74 !3771
assign  (segid 2GSH and resid  44 and name HG* )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )) 1.8 0.0 3.65 !3775
assign  (segid 2GSH and resid  44 and name HG* )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 3.59 !3778
assign  (segid 2GSH and resid  44 and name HG* )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  27 and name HA  )) 1.8 0.0 4.61 !3846
assign  (segid 2GSH and resid  85 and name HG* )
       ((segid 2GSH and resid  46 and name HE# ) or (segid 2GSH and resid  53 and name HE# )) 1.8 0.0 4.95 !3858
assign  (segid 2GSH and resid  85 and name HG* )
       ((segid 2GSH and resid  85 and name HB  ) or (segid 2GSH and resid  93 and name HG  )) 1.8 0.0 3.00 !3863
assign  (segid 2GSH and resid  85 and name HG* )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 4.13 !3864
assign  (segid 2GSH and resid  55 and name HG* )
       ((segid 2GSH and resid  40 and name HA  ) or (segid 2GSH and resid  41 and name HA  )
     or (segid 2GSH and resid  42 and name HA  ))                                             1.8 0.0 4.26 !3890
assign  (segid 2GSH and resid  55 and name HG* )
       ((segid 2GSH and resid  40 and name HB# ) or (segid 2GSH and resid  63 and name HB# )) 1.8 0.0 4.56 !3894
assign  (segid 2GSH and resid  55 and name HG* )
       ((segid 2GSH and resid  54 and name HG# ) or (segid 2GSH and resid  65 and name HB# )
     or (segid 2GSH and resid  76 and name HD* ))                                             1.8 0.0 3.77 !3898
assign  (segid 2GSH and resid  55 and name HG* )
       ((segid 2GSH and resid  65 and name HD* ) or (segid 2GSH and resid  73 and name HD* )) 1.8 0.0 4.59 !3900
assign  (segid 2GSH and resid  66 and name HZ2 )
       ((segid 2GSH and resid  53 and name HE# ) or (segid 2GSH and resid  66 and name HZ3 )
     or (segid 2GSH and resid  66 and name HH2 ))                                             1.8 0.0 1.97 !4014
assign  (segid 2GSH and resid  27 and name HB# )
       ((segid 2GSH and resid  22 and name HG# ) or (segid 2GSH and resid  45 and name HB# )) 1.8 0.0 2.19 !4051
assign  (segid 2GSH and resid  27 and name HB# )
       ((segid 2GSH and resid  19 and name HB# ) or (segid 2GSH and resid  94 and name HB# )
     or (segid 2GSH and resid  96 and name HB  ))                                             1.8 0.0 2.74 !4053
assign  (segid 2GSH and resid  27 and name HB# )
       ((segid 2GSH and resid  19 and name HG  ) or (segid 2GSH and resid  96 and name HG1#)) 1.8 0.0 2.30 !4055
assign  (segid 2GSH and resid  41 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.16 !4089
assign  (segid 2GSH and resid  43 and name HB# )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.89 !4097
assign  (segid 2GSH and resid  41 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.41 !4100
assign  (segid 2GSH and resid  43 and name HB# )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.34 !4109
assign  (segid 2GSH and resid  15 and name HB# )
       ((segid 2GSH and resid  11 and name HB# ) or (segid 2GSH and resid  14 and name HB# )
     or (segid 2GSH and resid  18 and name HB# ))                                             1.8 0.0 3.93 !4119
assign  (segid 2GSH and resid  15 and name HB# )
       ((segid 2GSH and resid  10 and name HB  ) or (segid 2GSH and resid  12 and name HB# )) 1.8 0.0 3.94 !4120
assign  (segid 2GSH and resid  30 and name HG2#)
       ((segid 2GSH and resid  30 and name HA  ) or (segid 2GSH and resid  40 and name HA  )
     or (segid 2GSH and resid  41 and name HA  ))                                             1.8 0.0 2.70 !4136
assign  (segid 2GSH and resid  30 and name HG2#)
       ((segid 2GSH and resid  30 and name HD# ) or (segid 2GSH and resid  55 and name HG* )) 1.8 0.0 2.53 !4143
assign  (segid 2GSH and resid  30 and name HG2#)
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 2.72 !4147
assign  (segid 2GSH and resid  10 and name HG2#)
       ((segid 2GSH and resid  34 and name HB# ) or (segid 2GSH and resid  34 and name HG# )) 1.8 0.0 3.42 !4170
assign  (segid 2GSH and resid  10 and name HG2#)
       ((segid 2GSH and resid   9 and name HG# ) or (segid 2GSH and resid  31 and name HB# )) 1.8 0.0 3.19 !4173
assign  (segid 2GSH and resid  96 and name HG2#)
       ((segid 2GSH and resid  21 and name HD# ) or (segid 2GSH and resid  98 and name HB# )) 1.8 0.0 4.00 !4189
assign  (segid 2GSH and resid  96 and name HG2#)
       ((segid 2GSH and resid  97 and name HG# ) or (segid 2GSH and resid  98 and name HG# )) 1.8 0.0 3.50 !4195
assign  (segid 2GSH and resid  96 and name HG2#)
       ((segid 2GSH and resid  97 and name HB# ) or (segid 2GSH and resid  97 and name HB# )) 1.8 0.0 3.36 !4218
assign  (segid 2GSH and resid  91 and name HG2#)
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )) 1.8 0.0 2.67 !4235
assign  (segid 2GSH and resid  86 and name HB# )
       ((segid 2GSH and resid  87 and name HB# ) or (segid 2GSH and resid  91 and name HB  )) 1.8 0.0 3.54 !4291
assign  (segid 2GSH and resid  86 and name HB# )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  91 and name HD# ))                                             1.8 0.0 3.65 !4296
assign  (segid 2GSH and resid  18 and name HE# )
       ((segid 2GSH and resid  15 and name HA  ) or (segid 2GSH and resid  17 and name HA  )) 1.8 0.0 3.30 !4313
assign  (segid 2GSH and resid  18 and name HE# )
       ((segid 2GSH and resid  14 and name HE# ) or (segid 2GSH and resid  21 and name HE# )) 1.8 0.0 3.29 !4315
assign  (segid 2GSH and resid  18 and name HE# )
       ((segid 2GSH and resid  21 and name HD# ) or (segid 2GSH and resid  21 and name HD# )) 1.8 0.0 2.45 !4320
assign  (segid 2GSH and resid 100 and name HA  )
       ((segid 2GSH and resid 100 and name HG# ) or (segid 2GSH and resid 100 and name HG# )) 1.8 0.0 2.11 !4465
assign  (segid 2GSH and resid  20 and name HB# )
       ((segid 2GSH and resid  21 and name HD# ) or (segid 2GSH and resid  21 and name HD# )) 1.8 0.0 3.59 !4494
assign ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  84 and name HB# ))
       ((segid 2GSH and resid  33 and name HA  ) or (segid 2GSH and resid  84 and name HA  )) 1.8 0.0 2.98 !4506
assign  (segid 2GSH and resid  11 and name HA  )
       ((segid 2GSH and resid  11 and name HG# ) or (segid 2GSH and resid  34 and name HB# )) 1.8 0.0 2.49 !4540
assign  (segid 2GSH and resid  55 and name HA  )
       ((segid 2GSH and resid  40 and name HB# ) or (segid 2GSH and resid  64 and name HB# )) 1.8 0.0 3.06 !4553
assign ((segid 2GSH and resid  55 and name HA  ) or (segid 2GSH and resid  96 and name HA  ))
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  96 and name HG1#)) 1.8 0.0 2.68 !4555
assign ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  96 and name HD# ))
       ((segid 2GSH and resid  10 and name HB  ) or (segid 2GSH and resid  96 and name HB  )) 1.8 0.0 2.93 !4616
assign ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  96 and name HD# ))
       ((segid 2GSH and resid  10 and name HG2#) or (segid 2GSH and resid  10 and name HG1#)
     or (segid 2GSH and resid  96 and name HG1#))                                             1.8 0.0 2.78 !4617
assign  (segid 2GSH and resid  50 and name HA  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 2.52 !4658
assign  (segid 2GSH and resid  91 and name HA  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  91 and name HD# ))                                             1.8 0.0 3.10 !4736
assign  (segid 2GSH and resid  16 and name HA  )
       ((segid 2GSH and resid  16 and name HB# ) or (segid 2GSH and resid  16 and name HG# )) 1.8 0.0 1.80 !4775
assign ((segid 2GSH and resid  16 and name HA  ) or (segid 2GSH and resid  91 and name HA  ))
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  91 and name HG1#)) 1.8 0.0 3.62 !4781
assign  (segid 2GSH and resid  30 and name HD# )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 3.15 !4799
assign  (segid 2GSH and resid  30 and name HD# )
       ((segid 2GSH and resid  30 and name HA  ) or (segid 2GSH and resid  42 and name HA  )) 1.8 0.0 2.87 !4802
assign  (segid 2GSH and resid  30 and name HA  )
       ((segid 2GSH and resid  30 and name HD# ) or (segid 2GSH and resid  42 and name HD* )
     or (segid 2GSH and resid  55 and name HG* ))                                             1.8 0.0 2.93 !4816
assign  (segid 2GSH and resid  44 and name HA  )
       ((segid 2GSH and resid  29 and name HB# ) or (segid 2GSH and resid  42 and name HB# )
     or (segid 2GSH and resid  45 and name HB# ) or (segid 2GSH and resid  50 and name HB  )) 1.8 0.0 3.32 !4818
assign  (segid 2GSH and resid  44 and name HA  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 2.66 !4859
assign  (segid 2GSH and resid  44 and name HA  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )
     or (segid 2GSH and resid  96 and name HD# ))                                             1.8 0.0 2.96 !4860
assign  (segid 2GSH and resid  35 and name HA  )
       ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  35 and name HB# )) 1.8 0.0 2.00 !4882
assign  (segid 2GSH and resid  43 and name HA  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.56 !4945
assign  (segid 2GSH and resid  80 and name HA  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 3.73 !4968
assign  (segid 2GSH and resid  81 and name HA  )
       ((segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 2.68 !4979
assign  (segid 2GSH and resid  33 and name HA  )
       ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  35 and name HB# )) 1.8 0.0 2.00 !4999
assign  (segid 2GSH and resid  34 and name HA  )
       ((segid 2GSH and resid  34 and name HB# ) or (segid 2GSH and resid  34 and name HG# )) 1.8 0.0 1.83 !5003
assign  (segid 2GSH and resid   6 and name HA  )
       ((segid 2GSH and resid   5 and name HZ3 ) or (segid 2GSH and resid   5 and name HH2 )) 1.8 0.0 2.22 !5013
assign  (segid 2GSH and resid   6 and name HA  )
       ((segid 2GSH and resid   6 and name HB# ) or (segid 2GSH and resid   7 and name HB# )) 1.8 0.0 2.88 !5015
assign  (segid 2GSH and resid  10 and name HA  )
       ((segid 2GSH and resid  11 and name HD# ) or (segid 2GSH and resid  31 and name HD# )) 1.8 0.0 2.02 !5022
assign  (segid 2GSH and resid  10 and name HA  )
       ((segid 2GSH and resid  11 and name HG# ) or (segid 2GSH and resid  11 and name HG# )) 1.8 0.0 3.20 !5023
assign  (segid 2GSH and resid  10 and name HA  )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  14 and name HB# )) 1.8 0.0 2.71 !5024
assign  (segid 2GSH and resid  10 and name HA  )
       ((segid 2GSH and resid  10 and name HG1#) or (segid 2GSH and resid  14 and name HG# )
     or (segid 2GSH and resid  15 and name HB# ))                                             1.8 0.0 2.76 !5028
assign  (segid 2GSH and resid  41 and name HA  )
       ((segid 2GSH and resid  41 and name HB# ) or (segid 2GSH and resid  56 and name HA  )) 1.8 0.0 2.28 !5066
assign  (segid 2GSH and resid  41 and name HA  )
       ((segid 2GSH and resid  54 and name HB# ) or (segid 2GSH and resid  55 and name HG* )) 1.8 0.0 2.86 !5068
assign  (segid 2GSH and resid  64 and name HA  )
       ((segid 2GSH and resid  64 and name HB# ) or (segid 2GSH and resid  70 and name HB# )) 1.8 0.0 2.05 !5075
assign  (segid 2GSH and resid  64 and name HA  )
       ((segid 2GSH and resid  64 and name HB# ) or (segid 2GSH and resid  70 and name HB# )) 1.8 0.0 1.99 !5076
assign  (segid 2GSH and resid  19 and name HA  )
       ((segid 2GSH and resid  18 and name HB# ) or (segid 2GSH and resid  19 and name HB# )) 1.8 0.0 2.57 !5101
assign  (segid 2GSH and resid  40 and name HA  )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 2.38 !5114
assign  (segid 2GSH and resid  41 and name HA  )
       ((segid 2GSH and resid  54 and name HB# ) or (segid 2GSH and resid  54 and name HD# )) 1.8 0.0 2.83 !5118
assign  (segid 2GSH and resid  32 and name HA  )
       ((segid 2GSH and resid   6 and name HE# ) or (segid 2GSH and resid  40 and name HD# )) 1.8 0.0 2.47 !5135
assign  (segid 2GSH and resid  84 and name HA  )
       ((segid 2GSH and resid  84 and name HB# ) or (segid 2GSH and resid  91 and name HA  )) 1.8 0.0 1.77 !5152
assign  (segid 2GSH and resid  19 and name HA  )
       ((segid 2GSH and resid  22 and name HG# ) or (segid 2GSH and resid  45 and name HB# )) 1.8 0.0 2.46 !5156
assign  (segid 2GSH and resid  19 and name HA  )
       ((segid 2GSH and resid  50 and name HG* ) or (segid 2GSH and resid  96 and name HG2#)) 1.8 0.0 3.49 !5157
assign  (segid 2GSH and resid  73 and name HA  )
       ((segid 2GSH and resid  73 and name HB# ) or (segid 2GSH and resid  76 and name HB# )) 1.8 0.0 2.03 !5166
assign  (segid 2GSH and resid  63 and name HA  )
       ((segid 2GSH and resid  57 and name HB# ) or (segid 2GSH and resid  57 and name HG# )) 1.8 0.0 2.97 !5175
assign  (segid 2GSH and resid  63 and name HA  )
       ((segid 2GSH and resid  63 and name HB# ) or (segid 2GSH and resid  64 and name HB# )) 1.8 0.0 2.39 !5179
assign  (segid 2GSH and resid  63 and name HA  )
       ((segid 2GSH and resid  55 and name HG* ) or (segid 2GSH and resid  73 and name HG  )) 1.8 0.0 3.02 !5181
assign  (segid 2GSH and resid  45 and name HA  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 2.97 !5199
assign  (segid 2GSH and resid  53 and name HA  )
       ((segid 2GSH and resid  53 and name HD# ) or (segid 1SHC and resid   5 and name HD# )) 1.8 0.0 2.17 !5208
assign ((segid 2GSH and resid  25 and name HA  ) or (segid 2GSH and resid  45 and name HA  ))
        (segid 2GSH and resid  45 and name HB# )                                              1.8 0.0 2.19 !5222
assign  (segid 2GSH and resid   9 and name HA  )
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid   9 and name HD# )) 1.8 0.0 2.07 !5224
assign ((segid 2GSH and resid   9 and name HA  ) or (segid 2GSH and resid  62 and name HA  ))
       ((segid 2GSH and resid  32 and name HB# ) or (segid 2GSH and resid  62 and name HB# )) 1.8 0.0 2.59 !5259
assign ((segid 2GSH and resid   9 and name HA  ) or (segid 2GSH and resid  62 and name HA  )
     or (segid 2GSH and resid  65 and name HA  ))
       ((segid 2GSH and resid   9 and name HB# ) or (segid 2GSH and resid  32 and name HB# )
     or (segid 2GSH and resid  62 and name HB# ) or (segid 2GSH and resid  65 and name HB# )) 1.8 0.0 3.17 !5261
assign ((segid 2GSH and resid  93 and name HA  ) or (segid 2GSH and resid  98 and name HA  ))
       ((segid 2GSH and resid  81 and name HA  ) or (segid 2GSH and resid  94 and name HA  )
     or (segid 2GSH and resid  97 and name HA  ))                                             1.8 0.0 3.58 !5262
assign  (segid 2GSH and resid  28 and name HA  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  50 and name HG* ))                                             1.8 0.0 3.31 !5287
assign  (segid 2GSH and resid  28 and name HA  )
       ((segid 2GSH and resid  19 and name HD* ) or (segid 2GSH and resid  96 and name HD# )) 1.8 0.0 2.70 !5288
assign  (segid 2GSH and resid  97 and name HA  )
       ((segid 2GSH and resid  97 and name HB# ) or (segid 2GSH and resid  97 and name HB# )) 1.8 0.0 1.65 !5306
assign  (segid 2GSH and resid  93 and name HA  )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  27 and name HA  )) 1.8 0.0 2.72 !5309
assign  (segid 2GSH and resid  93 and name HA  )
       ((segid 2GSH and resid  26 and name HA# ) or (segid 2GSH and resid  28 and name HB# )
     or (segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 3.15 !5310
assign  (segid 2GSH and resid  93 and name HA  )
       ((segid 2GSH and resid  44 and name HG* ) or (segid 2GSH and resid  44 and name HG* )
     or (segid 2GSH and resid  93 and name HB# ))                                             1.8 0.0 3.01 !5312
assign  (segid 2GSH and resid  93 and name HA  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )
     or (segid 2GSH and resid  93 and name HD* ))                                             1.8 0.0 2.43 !5314
assign  (segid 2GSH and resid  54 and name HA  )
       ((segid 2GSH and resid  54 and name HB# ) or (segid 2GSH and resid  54 and name HD# )) 1.8 0.0 2.41 !5357
assign  (segid 2GSH and resid  13 and name HA  )
       ((segid 2GSH and resid  16 and name HB# ) or (segid 2GSH and resid  16 and name HG# )) 1.8 0.0 1.93 !5367
assign  (segid 2GSH and resid  86 and name HA  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 3.71 !5393
assign  (segid 2GSH and resid  29 and name HA  )
       ((segid 2GSH and resid  29 and name HD* ) or (segid 2GSH and resid  42 and name HD* )) 1.8 0.0 3.40 !5412
assign  (segid 2GSH and resid  92 and name HA  )
       ((segid 2GSH and resid  85 and name HG* ) or (segid 2GSH and resid  85 and name HG* )) 1.8 0.0 3.77 !5423
assign  (segid 2GSH and resid  56 and name HA  )
       ((segid 2GSH and resid  56 and name HB# ) or (segid 2GSH and resid  56 and name HD* )
     or (segid 2GSH and resid  56 and name HD* ))                                             1.8 0.0 2.28 !5454
assign  (segid 2GSH and resid  94 and name HA  )
       ((segid 2GSH and resid  81 and name HD# ) or (segid 2GSH and resid  94 and name HD# )) 1.8 0.0 2.13 !5477
assign  (segid 2GSH and resid  49 and name HA  )
       ((segid 2GSH and resid  45 and name HA  ) or (segid 2GSH and resid  50 and name HA  )) 1.8 0.0 2.64 !5561
assign  (segid 2GSH and resid  57 and name HA  )
       ((segid 2GSH and resid  57 and name HB# ) or (segid 2GSH and resid  57 and name HG# )) 1.8 0.0 2.25 !5589
assign  (segid 2GSH and resid  57 and name HA  )
       ((segid 2GSH and resid  57 and name HB# ) or (segid 2GSH and resid  62 and name HB# )) 1.8 0.0 2.35 !5592
assign  (segid 2GSH and resid  31 and name HA  )
       ((segid 2GSH and resid  30 and name HG1#) or (segid 2GSH and resid  31 and name HB# )) 1.8 0.0 2.22 !5606
assign  (segid 2GSH and resid  31 and name HA  )
       ((segid 2GSH and resid   6 and name HB# ) or (segid 2GSH and resid   7 and name HB# )) 1.8 0.0 3.05 !5624
assign  (segid 2GSH and resid  31 and name HA  )
       ((segid 2GSH and resid  10 and name HD# ) or (segid 2GSH and resid  29 and name HD* )) 1.8 0.0 3.19 !5625
assign  (segid 2GSH and resid  31 and name HA  )
       ((segid 2GSH and resid  32 and name HB# ) or (segid 2GSH and resid  42 and name HB# )) 1.8 0.0 3.05 !5627
set echo=true end
set wrnlev=5 end
remarks   GRB2 SH2 DOMAIN COMPLEXED WITH SHC-PEPTIDE
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign  (segid 1SHC and resid   8 and name HA  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 2.81 !16
assign  (segid 1SHC and resid   4 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.14 !17
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.77 !18
assign  (segid 1SHC and resid   5 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.03 !19
assign  (segid 1SHC and resid   5 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.13 !20
assign  (segid 1SHC and resid   8 and name HB  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 2.73 !21
assign ((segid 1SHC and resid   3 and name HG# ) or (segid 1SHC and resid   9 and name HB# ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 3.99 !22
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.37 !23
assign  (segid 1SHC and resid   8 and name HG* )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.61 !24
assign  (segid 1SHC and resid   6 and name HG* )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 6.01 !26
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   5 and name HA  )                                              1.8 0.0 2.95 !50
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
        (segid 1SHC and resid   3 and name HA  )                                              1.8 0.0 2.96 !116
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# ))
        (segid 1SHC and resid   3 and name HA  )                                              1.8 0.0 3.60 !126
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   4 and name HA  )                                              1.8 0.0 3.67 !129
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   8 and name HA  )                                              1.8 0.0 3.91 !130
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
        (segid 1SHC and resid   4 and name HA  )                                              1.8 0.0 2.69 !184
assign  (segid 1SHC and resid   3 and name HD# )
       ((segid 1SHC and resid   2 and name HA  ) or (segid 1SHC and resid   8 and name HA  )) 1.8 0.0 3.58 !185
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
        (segid 1SHC and resid   8 and name HA  )                                              1.8 0.0 4.65 !186
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
       ((segid 1SHC and resid   2 and name HA  ) or (segid 1SHC and resid   8 and name HA  )) 1.8 0.0 4.34 !187
assign ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  ))
        (segid 1SHC and resid  11 and name HA  )                                              1.8 0.0 2.55 !212
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))
       ((segid 1SHC and resid   2 and name HA  ) or (segid 1SHC and resid   8 and name HA  )) 1.8 0.0 3.13 !214
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# ))
        (segid 1SHC and resid   2 and name HA  )                                              1.8 0.0 3.20 !215
assign ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* ))
        (segid 1SHC and resid   9 and name HA  )                                              1.8 0.0 6.36 !219
assign ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* ))
       ((segid 1SHC and resid   4 and name HA  ) or (segid 1SHC and resid  11 and name HA  )) 1.8 0.0 6.38 !220
assign ((segid 1SHC and resid   6 and name HB  ) or (segid 1SHC and resid  11 and name HD* ))
       ((segid 1SHC and resid   4 and name HA  ) or (segid 1SHC and resid  11 and name HA  )) 1.8 0.0 3.65 !221
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   4 and name HB# )                                              1.8 0.0 4.59 !224
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 4.86 !225
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   5 and name HB# )                                              1.8 0.0 3.52 !226
assign  (segid 1SHC and resid   4 and name HA  )
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 1.75 !245
assign ((segid 1SHC and resid   2 and name HA  ) or (segid 1SHC and resid   8 and name HA  ))
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 3.59 !257
assign  (segid 1SHC and resid   3 and name HB# )
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 3.36 !306
assign  (segid 1SHC and resid   3 and name HB# )
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 3.22 !307
assign  (segid 1SHC and resid   3 and name HB# )
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 3.85 !309
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 4.15 !314
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# ))
       ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# )) 1.8 0.0 5.03 !315
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   5 and name HB# )                                              1.8 0.0 3.50 !322
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   8 and name HB  )                                              1.8 0.0 3.50 !323
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
        (segid 1SHC and resid   3 and name HB# )                                              1.8 0.0 3.69 !367
assign ((segid 1SHC and resid   3 and name HD# ) or (segid 1SHC and resid   4 and name HB# ))
        (segid 1SHC and resid   3 and name HB# )                                              1.8 0.0 4.20 !369
assign ((segid 1SHC and resid   5 and name HB# ) or (segid 1SHC and resid  12 and name HB# ))
        (segid 1SHC and resid  10 and name HB# )                                              1.8 0.0 3.51 !377
assign ((segid 1SHC and resid   5 and name HB# ) or (segid 1SHC and resid  12 and name HB# ))
        (segid 1SHC and resid   9 and name HG# )                                              1.8 0.0 4.81 !400
assign ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# ))
        (segid 1SHC and resid   3 and name HB# )                                              1.8 0.0 4.65 !417
assign ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* ))
       ((segid 1SHC and resid   5 and name HB# ) or (segid 1SHC and resid  12 and name HB# )) 1.8 0.0 7.11 !426
assign ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* ))
        (segid 1SHC and resid   9 and name HG# )                                              1.8 0.0 6.80 !428
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))                                             1.8 0.0 4.00 !433
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 4.22 !434
assign  (segid 1SHC and resid   3 and name HA  )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 2.54 !435
assign ((segid 1SHC and resid   4 and name HA  ) or (segid 1SHC and resid  11 and name HA  ))
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))                                             1.8 0.0 3.92 !446
assign  (segid 1SHC and resid  11 and name HA  )
       ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  )) 1.8 0.0 1.73 !451
assign ((segid 1SHC and resid   2 and name HA  ) or (segid 1SHC and resid   8 and name HA  ))
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))                                             1.8 0.0 2.23 !455
assign  (segid 1SHC and resid   2 and name HA  )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 2.08 !456
assign  (segid 1SHC and resid   3 and name HD# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )
     or (segid 1SHC and resid   9 and name HB# ))                                             1.8 0.0 3.09 !458
assign  (segid 1SHC and resid   3 and name HD# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 4.03 !461
assign  (segid 1SHC and resid   3 and name HB# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 4.06 !465
assign ((segid 1SHC and resid  13 and name HB# ) or (segid 1SHC and resid  13 and name HD# ))
        (segid 1SHC and resid  13 and name HG# )                                              1.8 0.0 3.85 !484
assign  (segid 1SHC and resid  13 and name HG# )
       ((segid 1SHC and resid  13 and name HB# ) or (segid 1SHC and resid  13 and name HD# )) 1.8 0.0 3.15 !489
assign  (segid 1SHC and resid  11 and name HD* )
       ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  )) 1.8 0.0 3.24 !506
assign  (segid 1SHC and resid  11 and name HD* )
       ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  )) 1.8 0.0 3.60 !507
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   8 and name HG* )                                              1.8 0.0 4.10 !510
assign ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# ))
        (segid 1SHC and resid   8 and name HG* )                                              1.8 0.0 3.63 !511
assign ((segid 1SHC and resid   4 and name HA  ) or (segid 1SHC and resid  11 and name HA  ))
       ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* )) 1.8 0.0 4.25 !520
assign  (segid 1SHC and resid   9 and name HA  )
       ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* )) 1.8 0.0 3.71 !521
assign ((segid 1SHC and resid   5 and name HB# ) or (segid 1SHC and resid  12 and name HB# ))
       ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* )) 1.8 0.0 6.00 !534
assign  (segid 1SHC and resid   9 and name HG# )
       ((segid 1SHC and resid   8 and name HG* ) or (segid 1SHC and resid  11 and name HD* )) 1.8 0.0 4.73 !536
assign ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  ))
        (segid 1SHC and resid  11 and name HD* )                                              1.8 0.0 2.79 !539
assign ((segid 1SHC and resid  11 and name HB# ) or (segid 1SHC and resid  11 and name HG  ))
        (segid 1SHC and resid  11 and name HD* )                                              1.8 0.0 3.05 !540
assign ((segid 1SHC and resid   6 and name HB  ) or (segid 1SHC and resid   8 and name HG* ))
        (segid 1SHC and resid   6 and name HG* )                                              1.8 0.0 4.14 !548
set echo=true end
set wrnlev=5 end
remarks   GRB2 SH2 DOMAIN COMPLEXED WITH SHC-PEPTIDE
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign ((segid 2GSH and resid  12 and name HD# ) or (segid 2GSH and resid  39 and name HB# ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 7.82 !172
assign  (segid 2GSH and resid  53 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.57 !191
assign ((segid 2GSH and resid  12 and name HD# ) or (segid 2GSH and resid  39 and name HB# ))
        (segid 1SHC and resid   8 and name HG* )                                              1.8 0.0 7.86 !217
assign  (segid 2GSH and resid  53 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 6.45 !218
assign  (segid 2GSH and resid  54 and name HE# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.75 !272
assign  (segid 2GSH and resid  54 and name HE# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.86 !276
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 5.10 !540
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.53 !545
assign  (segid 2GSH and resid  54 and name HB# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.29 !549
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 6.18 !566
assign  (segid 2GSH and resid  12 and name HB# )
       ((segid 1SHC and resid   2 and name HB# ) or (segid 1SHC and resid   3 and name HG# )) 1.8 0.0 5.77 !568
assign  (segid 2GSH and resid  54 and name HD# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.29 !725
assign  (segid 2GSH and resid  54 and name HD# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.19 !734
assign  (segid 2GSH and resid  52 and name HE1 )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.10 !868
assign  (segid 2GSH and resid  54 and name HG# )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.98 !918
assign ((segid 2GSH and resid  86 and name HB# ) or (segid 2GSH and resid  86 and name HB# ))
        (segid 1SHC and resid   6 and name HG* )                                              1.8 0.0 8.04 !1267
assign ((segid 2GSH and resid  33 and name HB# ) or (segid 2GSH and resid  35 and name HB# )
     or (segid 2GSH and resid  35 and name HB# ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 8.80 !1321
assign  (segid 2GSH and resid  43 and name HA  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 5.05 !1442
assign ((segid 2GSH and resid  40 and name HA  ) or (segid 2GSH and resid  41 and name HA  ))
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.98 !1472
assign  (segid 2GSH and resid  52 and name HA  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.05 !1572
assign  (segid 2GSH and resid  54 and name HA  )
       ((segid 1SHC and resid   5 and name HD# ) or (segid 1SHC and resid   5 and name HE# )) 1.8 0.0 4.10 !1583
set echo=true end
set wrnlev=5 end
assign (segid 2GSH and resid  12 and name HH* )(segid 1SHC and resid   5 and name O#P ) 2.30 0.50 0.50
assign (segid 2GSH and resid  31 and name HH* )(segid 1SHC and resid   5 and name O#P ) 2.30 0.50 0.50
assign (segid 2GSH and resid  41 and name HG  )(segid 1SHC and resid   5 and name O#P ) 2.30 0.50 0.50
assign (segid 2GSH and resid  33 and name HG  )(segid 1SHC and resid   5 and name O#P ) 2.30 0.50 0.50
assign (segid 2GSH and resid  35 and name HG  )(segid 1SHC and resid   5 and name O#P ) 2.30 0.50 0.50
assign (segid 2GSH and resid  54 and name HN  )(segid 1SHC and resid   7 and name OD1 ) 1.50 0.10 0.10
assign (segid 2GSH and resid  54 and name N   )(segid 1SHC and resid   7 and name OD1 ) 3.00 0.10 0.10
assign (segid 2GSH and resid  54 and name O   )(segid 1SHC and resid   7 and name HD22) 1.50 0.10 0.10
assign (segid 2GSH and resid  54 and name O   )(segid 1SHC and resid   7 and name ND2 ) 3.00 0.10 0.10
assign (segid 2GSH and resid  65 and name O   )(segid 1SHC and resid   7 and name HD21) 1.50 0.10 0.10
assign (segid 2GSH and resid  65 and name O   )(segid 1SHC and resid   7 and name ND2 ) 3.00 0.10 0.10
set echo=true end
set wrnlev=5 end
  Entry H atom name         Submitted Coord H atom name
    1   2H    GLY   1          2H        GLY   1   3.692 -16.659  -9.606
    2   1H    GLY   1          1H        GLY   1   2.041 -16.258  -9.595
    3   3H    GLY   1          3H        GLY   1   2.774 -16.860  -8.189
    4   1HA   GLY   1          1HA       GLY   1   2.366 -15.037  -8.004
    5   2HA   GLY   1          2HA       GLY   1   3.277 -14.765  -9.700
    6    H    SER   2           H        SER   2   1.917 -13.577  -6.891
    7    HA   SER   2           HA       SER   2   2.048 -10.992  -8.241
    8   1HB   SER   2          1HB       SER   2  -0.768 -11.821  -7.874
    9   2HB   SER   2          2HB       SER   2  -0.036 -10.863  -9.158
   10    HG   SER   2           HG       SER   2   0.180 -13.679  -8.819
   11    H    HIS   3           H        HIS   3  -0.527 -10.188  -6.928
   12    HA   HIS   3           HA       HIS   3   0.048 -10.629  -4.060
   13   1HB   HIS   3          1HB       HIS   3   0.227  -7.953  -5.454
   14   2HB   HIS   3          2HB       HIS   3  -0.054  -8.093  -3.719
   15    HD1  HIS   3           HD1      HIS   3   2.523  -8.875  -6.368
   16    HD2  HIS   3           HD2      HIS   3   2.209  -8.839  -2.211
   17    HE1  HIS   3           HE1      HIS   3   4.868  -9.204  -5.470
   18    HA   PRO   4           HA       PRO   4  -4.420 -10.434  -4.874
   19   1HB   PRO   4          1HB       PRO   4  -5.014 -12.404  -3.054
   20   2HB   PRO   4          2HB       PRO   4  -4.561 -12.724  -4.737
   21   1HG   PRO   4          1HG       PRO   4  -2.946 -13.077  -2.261
   22   2HG   PRO   4          2HG       PRO   4  -2.817 -13.916  -3.814
   23   1HD   PRO   4          1HD       PRO   4  -1.130 -11.830  -2.912
   24   2HD   PRO   4          2HD       PRO   4  -1.227 -12.450  -4.574
   25    H    TRP   5           H        TRP   5  -2.447  -9.416  -2.449
   26    HA   TRP   5           HA       TRP   5  -4.695  -8.164  -0.993
   27   1HB   TRP   5          1HB       TRP   5  -3.500  -8.808   1.208
   28   2HB   TRP   5          2HB       TRP   5  -4.438 -10.068   0.405
   29    HD1  TRP   5           HD1      TRP   5  -3.148 -12.048  -0.727
   30    HE1  TRP   5           HE1      TRP   5  -0.698 -12.838  -0.615
   31    HE3  TRP   5           HE3      TRP   5  -0.998  -7.987   1.527
   32    HZ2  TRP   5           HZ2      TRP   5   1.837 -11.864   0.278
   33    HZ3  TRP   5           HZ3      TRP   5   1.430  -7.949   1.959
   34    HH2  TRP   5           HH2      TRP   5   2.841  -9.894   1.347
   35    H    PHE   6           H        PHE   6  -1.180  -8.495  -1.457
   36    HA   PHE   6           HA       PHE   6  -0.480  -6.087  -0.066
   37   1HB   PHE   6          1HB       PHE   6   1.160  -7.874  -0.732
   38   2HB   PHE   6          2HB       PHE   6   1.006  -7.325  -2.401
   39    HD1  PHE   6           HD1      PHE   6   0.995  -5.265   0.702
   40    HD2  PHE   6           HD2      PHE   6   3.140  -6.354  -2.850
   41    HE1  PHE   6           HE1      PHE   6   2.644  -3.471   1.166
   42    HE2  PHE   6           HE2      PHE   6   4.791  -4.557  -2.399
   43    HZ   PHE   6           HZ       PHE   6   4.540  -3.115  -0.394
   44    H    PHE   7           H        PHE   7   0.060  -4.034  -0.965
   45    HA   PHE   7           HA       PHE   7  -1.324  -3.449  -3.537
   46   1HB   PHE   7          1HB       PHE   7  -1.344  -2.097  -0.908
   47   2HB   PHE   7          2HB       PHE   7  -1.199  -1.033  -2.308
   48    HD1  PHE   7           HD1      PHE   7  -2.731  -2.309  -4.384
   49    HD2  PHE   7           HD2      PHE   7  -3.572  -2.067  -0.176
   50    HE1  PHE   7           HE1      PHE   7  -5.151  -2.574  -4.853
   51    HE2  PHE   7           HE2      PHE   7  -5.993  -2.328  -0.650
   52    HZ   PHE   7           HZ       PHE   7  -6.782  -2.582  -2.987
   53    H    GLY   8           H        GLY   8   1.030  -1.773  -1.463
   54   1HA   GLY   8          1HA       GLY   8   3.415  -1.931  -2.558
   55   2HA   GLY   8          2HA       GLY   8   2.596  -1.155  -3.915
   56    H    LYS   9           H        LYS   9   2.109   1.052  -3.777
   57    HA   LYS   9           HA       LYS   9   3.103   2.398  -1.296
   58   1HB   LYS   9          1HB       LYS   9   3.037   3.625  -4.052
   59   2HB   LYS   9          2HB       LYS   9   3.904   4.200  -2.629
   60   1HG   LYS   9          1HG       LYS   9   4.532   1.438  -3.555
   61   2HG   LYS   9          2HG       LYS   9   5.119   2.768  -4.555
   62   1HD   LYS   9          1HD       LYS   9   6.798   3.108  -3.100
   63   2HD   LYS   9          2HD       LYS   9   5.616   3.465  -1.839
   64   1HE   LYS   9          1HE       LYS   9   6.659   1.647  -0.868
   65   2HE   LYS   9          2HE       LYS   9   5.412   0.805  -1.789
   66   1HZ   LYS   9          1HZ       LYS   9   7.916   1.410  -3.162
   67   2HZ   LYS   9          2HZ       LYS   9   7.957   0.186  -1.984
   68   3HZ   LYS   9          3HZ       LYS   9   6.899   0.056  -3.303
   69    H    ILE  10           H        ILE  10   0.662   1.976  -0.744
   70    HA   ILE  10           HA       ILE  10  -0.896   4.284  -1.813
   71    HB   ILE  10           HB       ILE  10  -2.693   2.971  -2.090
   72   1HG1  ILE  10          1HG1      ILE  10  -1.895   1.750   0.561
   73   2HG1  ILE  10          2HG1      ILE  10  -3.242   2.846   0.243
   74   1HG2  ILE  10          1HG2      ILE  10  -0.606   1.626  -2.831
   75   2HG2  ILE  10          2HG2      ILE  10  -0.995   0.597  -1.455
   76   3HG2  ILE  10          3HG2      ILE  10  -2.168   0.809  -2.755
   77   1HD1  ILE  10          1HD1      ILE  10  -4.000   0.945  -1.422
   78   2HD1  ILE  10          2HD1      ILE  10  -2.979  -0.073  -0.406
   79   3HD1  ILE  10          3HD1      ILE  10  -4.342   0.794   0.301
   80    HA   PRO  11           HA       PRO  11  -1.506   5.763   2.208
   81   1HB   PRO  11          1HB       PRO  11  -4.067   6.684   1.951
   82   2HB   PRO  11          2HB       PRO  11  -2.656   7.476   1.224
   83   1HG   PRO  11          1HG       PRO  11  -4.779   5.877  -0.074
   84   2HG   PRO  11          2HG       PRO  11  -3.704   7.086  -0.778
   85   1HD   PRO  11          1HD       PRO  11  -3.445   4.254  -1.008
   86   2HD   PRO  11          2HD       PRO  11  -2.262   5.476  -1.517
   87    H    ARG  12           H        ARG  12  -2.163   4.963   4.208
   88    HA   ARG  12           HA       ARG  12  -3.434   2.479   4.504
   89   1HB   ARG  12          1HB       ARG  12  -4.223   3.619   6.806
   90   2HB   ARG  12          2HB       ARG  12  -2.555   3.116   6.537
   91   1HG   ARG  12          1HG       ARG  12  -1.875   5.342   5.991
   92   2HG   ARG  12          2HG       ARG  12  -3.547   5.894   5.865
   93   1HD   ARG  12          1HD       ARG  12  -3.814   6.037   8.140
   94   2HD   ARG  12          2HD       ARG  12  -2.725   4.687   8.462
   95    HE   ARG  12           HE       ARG  12  -1.323   6.543   9.028
   96   1HH1  ARG  12          1HH2      ARG  12  -2.687   8.805   7.773
   97   2HH1  ARG  12          2HH2      ARG  12  -1.667   9.197   6.430
   98   1HH2  ARG  12          1HH1      ARG  12   0.003   6.157   6.470
   99   2HH2  ARG  12          2HH1      ARG  12  -0.144   7.697   5.691
  100    H    ALA  13           H        ALA  13  -4.846   5.714   4.287
  101    HA   ALA  13           HA       ALA  13  -7.542   5.028   4.865
  102   1HB   ALA  13          1HB       ALA  13  -6.408   7.361   4.399
  103   2HB   ALA  13          2HB       ALA  13  -6.905   7.044   2.737
  104   3HB   ALA  13          3HB       ALA  13  -8.113   7.117   4.020
  105    H    LYS  14           H        LYS  14  -5.760   4.966   1.761
  106    HA   LYS  14           HA       LYS  14  -7.960   4.205   0.118
  107   1HB   LYS  14          1HB       LYS  14  -5.891   4.769  -0.986
  108   2HB   LYS  14          2HB       LYS  14  -4.995   3.553  -0.071
  109   1HG   LYS  14          1HG       LYS  14  -5.367   2.613  -2.240
  110   2HG   LYS  14          2HG       LYS  14  -6.513   1.812  -1.166
  111   1HD   LYS  14          1HD       LYS  14  -7.710   2.450  -3.164
  112   2HD   LYS  14          2HD       LYS  14  -8.234   3.521  -1.864
  113   1HE   LYS  14          1HE       LYS  14  -7.122   5.355  -2.735
  114   2HE   LYS  14          2HE       LYS  14  -5.901   4.364  -3.534
  115   1HZ   LYS  14          1HZ       LYS  14  -8.743   4.392  -4.369
  116   2HZ   LYS  14          2HZ       LYS  14  -7.583   5.444  -5.028
  117   3HZ   LYS  14          3HZ       LYS  14  -7.411   3.768  -5.219
  118    H    ALA  15           H        ALA  15  -5.729   2.326   2.100
  119    HA   ALA  15           HA       ALA  15  -6.902  -0.237   1.408
  120   1HB   ALA  15          1HB       ALA  15  -5.199   0.625   3.770
  121   2HB   ALA  15          2HB       ALA  15  -5.606  -1.046   3.389
  122   3HB   ALA  15          3HB       ALA  15  -4.613  -0.103   2.273
  123    H    GLU  16           H        GLU  16  -7.664   2.327   3.584
  124    HA   GLU  16           HA       GLU  16  -9.445   0.739   5.292
  125   1HB   GLU  16          1HB       GLU  16  -9.141   3.750   4.999
  126   2HB   GLU  16          2HB       GLU  16 -10.051   2.926   6.268
  127   1HG   GLU  16          1HG       GLU  16  -7.585   1.688   6.379
  128   2HG   GLU  16          2HG       GLU  16  -7.170   3.363   6.025
  129    H    GLU  17           H        GLU  17  -9.531   2.149   2.222
  130    HA   GLU  17           HA       GLU  17 -12.464   2.608   2.283
  131   1HB   GLU  17          1HB       GLU  17 -10.219   3.373   0.504
  132   2HB   GLU  17          2HB       GLU  17 -11.744   3.018  -0.309
  133   1HG   GLU  17          1HG       GLU  17 -12.634   4.527   1.773
  134   2HG   GLU  17          2HG       GLU  17 -11.049   5.252   1.503
  135    H    MET  18           H        MET  18 -10.085   0.686   0.441
  136    HA   MET  18           HA       MET  18 -12.065  -0.889  -0.905
  137   1HB   MET  18          1HB       MET  18  -9.183  -1.556  -0.221
  138   2HB   MET  18          2HB       MET  18 -10.182  -2.427  -1.388
  139   1HG   MET  18          1HG       MET  18  -9.365   0.490  -1.547
  140   2HG   MET  18          2HG       MET  18  -8.802  -0.816  -2.590
  141   1HE   MET  18          1HE       MET  18 -11.222   1.478  -1.389
  142   2HE   MET  18          2HE       MET  18 -12.221   1.882  -2.791
  143   3HE   MET  18          3HE       MET  18 -12.768   0.663  -1.641
  144    H    LEU  19           H        LEU  19 -10.813  -0.912   2.287
  145    HA   LEU  19           HA       LEU  19 -11.626  -3.687   2.797
  146   1HB   LEU  19          1HB       LEU  19 -10.310  -1.495   4.337
  147   2HB   LEU  19          2HB       LEU  19 -11.186  -2.732   5.250
  148    HG   LEU  19           HG       LEU  19  -9.058  -3.249   3.178
  149   1HD1  LEU  19          1HD1      LEU  19  -9.086  -3.375   6.202
  150   2HD1  LEU  19          2HD1      LEU  19  -7.865  -4.191   5.224
  151   3HD1  LEU  19          3HD1      LEU  19  -8.007  -2.433   5.172
  152   1HD2  LEU  19          1HD2      LEU  19 -11.106  -4.875   4.545
  153   2HD2  LEU  19          2HD2      LEU  19 -10.267  -5.175   3.029
  154   3HD2  LEU  19          3HD2      LEU  19  -9.482  -5.567   4.559
  155    H    SER  20           H        SER  20 -12.903  -0.490   2.994
  156    HA   SER  20           HA       SER  20 -14.955  -1.076   4.939
  157   1HB   SER  20          1HB       SER  20 -14.134   1.238   4.413
  158   2HB   SER  20          2HB       SER  20 -14.937   1.126   2.850
  159    HG   SER  20           HG       SER  20 -16.009   1.317   5.429
  160    H    LYS  21           H        LYS  21 -14.755  -1.456   1.405
  161    HA   LYS  21           HA       LYS  21 -17.679  -1.974   1.389
  162   1HB   LYS  21          1HB       LYS  21 -16.646  -2.731  -1.122
  163   2HB   LYS  21          2HB       LYS  21 -17.583  -1.291  -0.741
  164   1HG   LYS  21          1HG       LYS  21 -15.692  -0.309  -1.618
  165   2HG   LYS  21          2HG       LYS  21 -15.209  -0.403   0.071
  166   1HD   LYS  21          1HD       LYS  21 -13.509  -1.758  -0.483
  167   2HD   LYS  21          2HD       LYS  21 -14.637  -2.913  -1.174
  168   1HE   LYS  21          1HE       LYS  21 -13.808  -0.452  -2.704
  169   2HE   LYS  21          2HE       LYS  21 -12.842  -1.926  -2.752
  170   1HZ   LYS  21          1HZ       LYS  21 -15.739  -2.066  -3.224
  171   2HZ   LYS  21          2HZ       LYS  21 -14.711  -1.564  -4.480
  172   3HZ   LYS  21          3HZ       LYS  21 -14.512  -3.098  -3.776
  173    H    GLN  22           H        GLN  22 -14.838  -3.630   2.021
  174    HA   GLN  22           HA       GLN  22 -15.169  -6.152   0.854
  175   1HB   GLN  22          1HB       GLN  22 -13.749  -4.998   3.104
  176   2HB   GLN  22          2HB       GLN  22 -14.378  -6.588   3.545
  177   1HG   GLN  22          1HG       GLN  22 -12.023  -6.266   2.297
  178   2HG   GLN  22          2HG       GLN  22 -13.031  -7.685   2.034
  179   1HE2  GLN  22          2HE2      GLN  22 -13.871  -8.001  -0.073
  180   2HE2  GLN  22          1HE2      GLN  22 -13.637  -6.911  -1.353
  181    H    ARG  23           H        ARG  23 -15.817  -8.158   2.325
  182    HA   ARG  23           HA       ARG  23 -18.435  -7.500   3.593
  183   1HB   ARG  23          1HB       ARG  23 -19.528  -9.223   2.419
  184   2HB   ARG  23          2HB       ARG  23 -18.508  -8.469   1.198
  185   1HG   ARG  23          1HG       ARG  23 -16.795 -10.321   2.230
  186   2HG   ARG  23          2HG       ARG  23 -18.337 -11.163   2.382
  187   1HD   ARG  23          1HD       ARG  23 -17.841  -9.752  -0.188
  188   2HD   ARG  23          2HD       ARG  23 -16.879 -11.199   0.116
  189    HE   ARG  23           HE       ARG  23 -19.744 -11.554   0.606
  190   1HH1  ARG  23          1HH1      ARG  23 -17.157 -11.582  -1.683
  191   2HH1  ARG  23          2HH1      ARG  23 -17.925 -12.729  -2.728
  192   1HH2  ARG  23          1HH2      ARG  23 -20.736 -13.079  -0.733
  193   2HH2  ARG  23          2HH2      ARG  23 -19.947 -13.575  -2.193
  194    H    HIS  24           H        HIS  24 -15.607  -9.607   3.491
  195    HA   HIS  24           HA       HIS  24 -16.659 -11.062   5.860
  196   1HB   HIS  24          1HB       HIS  24 -13.943 -11.555   4.680
  197   2HB   HIS  24          2HB       HIS  24 -15.005 -12.671   5.532
  198    HD1  HIS  24           HD1      HIS  24 -17.576 -12.470   3.942
  199    HD2  HIS  24           HD2      HIS  24 -13.819 -12.601   2.136
  200    HE1  HIS  24           HE1      HIS  24 -17.943 -13.328   1.586
  201    H    ASP  25           H        ASP  25 -16.046 -10.367   7.856
  202    HA   ASP  25           HA       ASP  25 -14.163  -8.178   8.066
  203   1HB   ASP  25          1HB       ASP  25 -14.316  -8.795  10.590
  204   2HB   ASP  25          2HB       ASP  25 -15.743  -8.127   9.778
  205    H    GLY  26           H        GLY  26 -12.250  -8.701   7.341
  206   1HA   GLY  26          1HA       GLY  26 -10.233  -9.917   8.756
  207   2HA   GLY  26          2HA       GLY  26 -10.949 -11.251   7.836
  208    H    ALA  27           H        ALA  27 -11.840  -9.346   5.713
  209    HA   ALA  27           HA       ALA  27 -10.001  -9.629   3.705
  210   1HB   ALA  27          1HB       ALA  27 -12.292  -8.279   3.948
  211   2HB   ALA  27          2HB       ALA  27 -11.191  -6.909   4.041
  212   3HB   ALA  27          3HB       ALA  27 -11.175  -7.955   2.621
  213    H    PHE  28           H        PHE  28  -7.947  -8.780   3.206
  214    HA   PHE  28           HA       PHE  28  -6.971  -6.509   4.841
  215   1HB   PHE  28          1HB       PHE  28  -5.355  -7.643   5.964
  216   2HB   PHE  28          2HB       PHE  28  -6.473  -8.988   5.744
  217    HD1  PHE  28           HD1      PHE  28  -3.336  -7.433   4.547
  218    HD2  PHE  28           HD2      PHE  28  -6.053 -10.732   4.124
  219    HE1  PHE  28           HE1      PHE  28  -1.630  -8.670   3.247
  220    HE2  PHE  28           HE2      PHE  28  -4.351 -11.965   2.816
  221    HZ   PHE  28           HZ       PHE  28  -2.134 -10.941   2.391
  222    H    LEU  29           H        LEU  29  -4.888  -5.704   4.112
  223    HA   LEU  29           HA       LEU  29  -3.881  -6.552   1.494
  224   1HB   LEU  29          1HB       LEU  29  -4.105  -4.334   0.481
  225   2HB   LEU  29          2HB       LEU  29  -5.706  -4.914   0.931
  226    HG   LEU  29           HG       LEU  29  -5.152  -3.672   3.209
  227   1HD1  LEU  29          1HD1      LEU  29  -2.858  -3.072   1.747
  228   2HD1  LEU  29          2HD1      LEU  29  -3.839  -1.616   1.588
  229   3HD1  LEU  29          3HD1      LEU  29  -3.412  -2.219   3.187
  230   1HD2  LEU  29          1HD2      LEU  29  -6.711  -3.125   0.992
  231   2HD2  LEU  29          2HD2      LEU  29  -6.740  -2.204   2.496
  232   3HD2  LEU  29          3HD2      LEU  29  -5.745  -1.659   1.147
  233    H    ILE  30           H        ILE  30  -1.707  -5.520   1.200
  234    HA   ILE  30           HA       ILE  30  -0.820  -4.423   3.813
  235    HB   ILE  30           HB       ILE  30   0.352  -6.470   2.034
  236   1HG1  ILE  30          1HG1      ILE  30   0.521  -5.876   4.983
  237   2HG1  ILE  30          2HG1      ILE  30  -0.850  -6.717   4.247
  238   1HG2  ILE  30          1HG2      ILE  30   1.930  -4.203   2.670
  239   2HG2  ILE  30          2HG2      ILE  30   2.359  -5.430   3.850
  240   3HG2  ILE  30          3HG2      ILE  30   2.505  -5.776   2.132
  241   1HD1  ILE  30          1HD1      ILE  30   1.936  -7.724   3.728
  242   2HD1  ILE  30          2HD1      ILE  30   1.157  -8.106   5.263
  243   3HD1  ILE  30          3HD1      ILE  30   0.412  -8.613   3.748
  244    H    ARG  31           H        ARG  31   0.136  -2.578   3.874
  245    HA   ARG  31           HA       ARG  31   0.614  -1.198   1.255
  246   1HB   ARG  31          1HB       ARG  31   0.328   0.802   3.147
  247   2HB   ARG  31          2HB       ARG  31  -0.938   0.238   2.054
  248   1HG   ARG  31          1HG       ARG  31  -1.631  -1.445   3.727
  249   2HG   ARG  31          2HG       ARG  31  -0.385  -0.855   4.829
  250   1HD   ARG  31          1HD       ARG  31  -2.943   0.445   3.989
  251   2HD   ARG  31          2HD       ARG  31  -2.189   0.382   5.582
  252    HE   ARG  31           HE       ARG  31  -1.726   2.414   3.562
  253   1HH1  ARG  31          1HH1      ARG  31  -0.501   0.700   6.294
  254   2HH1  ARG  31          2HH1      ARG  31   0.724   1.871   6.640
  255   1HH2  ARG  31          1HH2      ARG  31  -0.079   3.903   3.950
  256   2HH2  ARG  31          2HH2      ARG  31   0.961   3.685   5.315
  257    H    GLU  32           H        GLU  32   2.450   0.038   0.994
  258    HA   GLU  32           HA       GLU  32   4.647  -0.531   2.904
  259   1HB   GLU  32          1HB       GLU  32   4.834  -0.941   0.407
  260   2HB   GLU  32          2HB       GLU  32   4.790   0.810   0.200
  261   1HG   GLU  32          1HG       GLU  32   6.865   1.127   1.201
  262   2HG   GLU  32          2HG       GLU  32   6.743  -0.350   2.157
  263    H    SER  33           H        SER  33   3.090   1.188   4.154
  264    HA   SER  33           HA       SER  33   2.726   3.441   4.831
  265   1HB   SER  33          1HB       SER  33   5.566   2.685   5.020
  266   2HB   SER  33          2HB       SER  33   5.256   4.412   5.109
  267    HG   SER  33           HG       SER  33   4.255   4.142   6.957
  268    H    GLU  34           H        GLU  34   1.795   4.567   3.071
  269    HA   GLU  34           HA       GLU  34   3.335   5.463   0.804
  270   1HB   GLU  34          1HB       GLU  34   0.594   5.699   1.757
  271   2HB   GLU  34          2HB       GLU  34   1.168   7.210   1.050
  272   1HG   GLU  34          1HG       GLU  34   1.342   4.484  -0.260
  273   2HG   GLU  34          2HG       GLU  34   0.170   5.733  -0.672
  274    H    SER  35           H        SER  35   3.019   6.623   4.031
  275    HA   SER  35           HA       SER  35   3.869   9.362   3.325
  276   1HB   SER  35          1HB       SER  35   3.891   9.645   5.848
  277   2HB   SER  35          2HB       SER  35   2.326   9.217   5.164
  278    HG   SER  35           HG       SER  35   2.398   7.423   6.247
  279    H    ALA  36           H        ALA  36   5.226   6.351   4.465
  280    HA   ALA  36           HA       ALA  36   7.809   7.597   5.169
  281   1HB   ALA  36          1HB       ALA  36   6.532   5.331   6.052
  282   2HB   ALA  36          2HB       ALA  36   7.674   4.657   4.881
  283   3HB   ALA  36          3HB       ALA  36   8.259   5.631   6.236
  284    HA   PRO  37           HA       PRO  37   9.792   6.708   1.358
  285   1HB   PRO  37          1HB       PRO  37  12.215   5.724   2.180
  286   2HB   PRO  37          2HB       PRO  37  11.772   7.438   2.269
  287   1HG   PRO  37          1HG       PRO  37  11.949   5.433   4.454
  288   2HG   PRO  37          2HG       PRO  37  12.130   7.190   4.526
  289   1HD   PRO  37          1HD       PRO  37   9.839   5.727   5.303
  290   2HD   PRO  37          2HD       PRO  37   9.918   7.485   5.054
  291    H    GLY  38           H        GLY  38   8.851   4.290   3.470
  292   1HA   GLY  38          1HA       GLY  38   8.182   2.302   1.805
  293   2HA   GLY  38          2HA       GLY  38   9.919   2.026   1.933
  294    H    ASP  39           H        ASP  39   7.061   2.545   4.005
  295    HA   ASP  39           HA       ASP  39   8.306   0.689   5.994
  296   1HB   ASP  39          1HB       ASP  39   6.916   3.239   6.279
  297   2HB   ASP  39          2HB       ASP  39   6.172   1.975   7.259
  298    H    PHE  40           H        PHE  40   7.440  -1.306   5.702
  299    HA   PHE  40           HA       PHE  40   5.023  -1.868   4.341
  300   1HB   PHE  40          1HB       PHE  40   6.683  -3.435   6.314
  301   2HB   PHE  40          2HB       PHE  40   5.174  -4.093   5.685
  302    HD1  PHE  40           HD1      PHE  40   5.116  -3.120   2.923
  303    HD2  PHE  40           HD2      PHE  40   8.416  -4.599   5.242
  304    HE1  PHE  40           HE1      PHE  40   6.277  -3.796   0.839
  305    HE2  PHE  40           HE2      PHE  40   9.577  -5.274   3.158
  306    HZ   PHE  40           HZ       PHE  40   8.508  -4.872   0.957
  307    H    SER  41           H        SER  41   3.018  -2.694   5.170
  308    HA   SER  41           HA       SER  41   2.252  -2.452   7.955
  309   1HB   SER  41          1HB       SER  41   1.008  -0.379   6.144
  310   2HB   SER  41          2HB       SER  41   0.918  -0.487   7.899
  311    HG   SER  41           HG       SER  41   2.570   0.956   6.565
  312    H    LEU  42           H        LEU  42  -0.442  -2.426   7.851
  313    HA   LEU  42           HA       LEU  42  -1.432  -3.623   5.378
  314   1HB   LEU  42          1HB       LEU  42  -1.115  -5.766   5.819
  315   2HB   LEU  42          2HB       LEU  42  -0.269  -5.345   7.298
  316    HG   LEU  42           HG       LEU  42  -2.582  -5.181   8.398
  317   1HD1  LEU  42          1HD1      LEU  42  -3.516  -5.310   5.843
  318   2HD1  LEU  42          2HD1      LEU  42  -3.634  -7.003   6.318
  319   3HD1  LEU  42          3HD1      LEU  42  -4.469  -5.765   7.254
  320   1HD2  LEU  42          1HD2      LEU  42  -1.651  -7.834   7.258
  321   2HD2  LEU  42          2HD2      LEU  42  -1.096  -7.097   8.760
  322   3HD2  LEU  42          3HD2      LEU  42  -2.763  -7.654   8.615
  323    H    SER  43           H        SER  43  -3.580  -3.283   5.184
  324    HA   SER  43           HA       SER  43  -5.024  -2.360   7.621
  325   1HB   SER  43          1HB       SER  43  -6.092  -2.130   4.818
  326   2HB   SER  43          2HB       SER  43  -6.443  -1.124   6.220
  327    HG   SER  43           HG       SER  43  -3.906  -0.875   5.920
  328    H    VAL  44           H        VAL  44  -7.069  -3.315   8.112
  329    HA   VAL  44           HA       VAL  44  -8.030  -5.569   6.495
  330    HB   VAL  44           HB       VAL  44  -6.309  -6.648   7.837
  331   1HG1  VAL  44          1HG1      VAL  44  -7.363  -4.829   9.864
  332   2HG1  VAL  44          2HG1      VAL  44  -7.136  -6.470  10.461
  333   3HG1  VAL  44          3HG1      VAL  44  -5.773  -5.593   9.754
  334   1HG2  VAL  44          1HG2      VAL  44  -8.458  -7.873   7.542
  335   2HG2  VAL  44          2HG2      VAL  44  -7.678  -8.279   9.064
  336   3HG2  VAL  44          3HG2      VAL  44  -9.050  -7.172   9.045
  337    H    LYS  45           H        LYS  45 -10.146  -6.005   6.888
  338    HA   LYS  45           HA       LYS  45 -11.603  -3.970   8.427
  339   1HB   LYS  45          1HB       LYS  45 -12.135  -4.776   6.075
  340   2HB   LYS  45          2HB       LYS  45 -12.723  -6.265   6.816
  341   1HG   LYS  45          1HG       LYS  45 -13.847  -4.125   8.302
  342   2HG   LYS  45          2HG       LYS  45 -14.063  -3.722   6.596
  343   1HD   LYS  45          1HD       LYS  45 -14.631  -6.518   7.460
  344   2HD   LYS  45          2HD       LYS  45 -15.808  -5.275   7.872
  345   1HE   LYS  45          1HE       LYS  45 -15.124  -4.766   5.206
  346   2HE   LYS  45          2HE       LYS  45 -15.266  -6.530   5.320
  347   1HZ   LYS  45          1HZ       LYS  45 -17.302  -4.651   6.386
  348   2HZ   LYS  45          2HZ       LYS  45 -17.386  -5.334   4.833
  349   3HZ   LYS  45          3HZ       LYS  45 -17.441  -6.331   6.206
  350    H    PHE  46           H        PHE  46 -11.893  -4.375  10.584
  351    HA   PHE  46           HA       PHE  46 -12.541  -7.181  11.406
  352   1HB   PHE  46          1HB       PHE  46 -11.234  -4.916  12.927
  353   2HB   PHE  46          2HB       PHE  46 -11.894  -6.341  13.727
  354    HD1  PHE  46           HD1      PHE  46 -10.978  -7.638  10.715
  355    HD2  PHE  46           HD2      PHE  46  -9.156  -5.982  14.236
  356    HE1  PHE  46           HE1      PHE  46  -8.897  -8.886  10.234
  357    HE2  PHE  46           HE2      PHE  46  -7.069  -7.233  13.747
  358    HZ   PHE  46           HZ       PHE  46  -6.943  -8.694  11.738
  359    H    GLY  47           H        GLY  47 -14.751  -7.091  11.128
  360   1HA   GLY  47          1HA       GLY  47 -16.867  -6.850  12.260
  361   2HA   GLY  47          2HA       GLY  47 -16.214  -5.454  13.121
  362    H    ASN  48           H        ASN  48 -15.105  -4.182  10.800
  363    HA   ASN  48           HA       ASN  48 -16.588  -3.738   8.570
  364   1HB   ASN  48          1HB       ASN  48 -18.671  -3.480   9.642
  365   2HB   ASN  48          2HB       ASN  48 -17.971  -2.528  10.951
  366   1HD2  ASN  48          2HD2      ASN  48 -19.278  -0.624  10.598
  367   2HD2  ASN  48          1HD2      ASN  48 -19.136   0.326   9.199
  368    H    ASP  49           H        ASP  49 -14.933  -2.405  11.247
  369    HA   ASP  49           HA       ASP  49 -14.214   0.081   9.844
  370   1HB   ASP  49          1HB       ASP  49 -13.927  -0.989  12.576
  371   2HB   ASP  49          2HB       ASP  49 -12.521  -0.087  12.007
  372    H    VAL  50           H        VAL  50 -11.730   0.550   9.781
  373    HA   VAL  50           HA       VAL  50 -10.463  -1.962   8.814
  374    HB   VAL  50           HB       VAL  50 -10.005   0.824   7.735
  375   1HG1  VAL  50          1HG1      VAL  50  -8.580  -1.664   7.525
  376   2HG1  VAL  50          2HG1      VAL  50  -9.261  -1.255   5.949
  377   3HG1  VAL  50          3HG1      VAL  50  -8.196  -0.114   6.771
  378   1HG2  VAL  50          1HG2      VAL  50 -11.965  -1.319   7.098
  379   2HG2  VAL  50          2HG2      VAL  50 -12.072   0.418   6.813
  380   3HG2  VAL  50          3HG2      VAL  50 -11.145  -0.601   5.714
  381    H    GLN  51           H        GLN  51  -9.224  -2.447  10.603
  382    HA   GLN  51           HA       GLN  51  -7.384  -0.365  11.681
  383   1HB   GLN  51          1HB       GLN  51  -7.836  -1.409  13.621
  384   2HB   GLN  51          2HB       GLN  51  -8.687  -2.707  12.788
  385   1HG   GLN  51          1HG       GLN  51  -5.690  -2.669  12.732
  386   2HG   GLN  51          2HG       GLN  51  -6.500  -3.226  14.187
  387   1HE2  GLN  51          2HE2      GLN  51  -4.973  -5.023  12.489
  388   2HE2  GLN  51          1HE2      GLN  51  -6.054  -6.147  11.844
  389    H    HIS  52           H        HIS  52  -5.150  -0.600  11.456
  390    HA   HIS  52           HA       HIS  52  -4.331  -2.806   9.627
  391   1HB   HIS  52          1HB       HIS  52  -2.533  -0.590   9.410
  392   2HB   HIS  52          2HB       HIS  52  -3.595  -1.255   8.171
  393    HD1  HIS  52           HD1      HIS  52  -3.912   1.063  11.189
  394    HD2  HIS  52           HD2      HIS  52  -5.546   0.514   7.395
  395    HE1  HIS  52           HE1      HIS  52  -5.516   2.987  10.814
  396    H    PHE  53           H        PHE  53  -2.172  -3.607   9.900
  397    HA   PHE  53           HA       PHE  53  -1.087  -3.287  12.653
  398   1HB   PHE  53          1HB       PHE  53  -0.667  -5.381  10.526
  399   2HB   PHE  53          2HB       PHE  53   0.097  -5.397  12.107
  400    HD1  PHE  53           HD1      PHE  53  -1.827  -4.849  14.075
  401    HD2  PHE  53           HD2      PHE  53  -2.409  -6.876  10.329
  402    HE1  PHE  53           HE1      PHE  53  -3.811  -6.027  14.994
  403    HE2  PHE  53           HE2      PHE  53  -4.383  -8.046  11.258
  404    HZ   PHE  53           HZ       PHE  53  -5.083  -7.619  13.597
  405    H    LYS  54           H        LYS  54   1.068  -2.537  12.910
  406    HA   LYS  54           HA       LYS  54   2.306  -1.395  10.508
  407   1HB   LYS  54          1HB       LYS  54   2.422  -0.373  12.857
  408   2HB   LYS  54          2HB       LYS  54   3.540  -1.674  13.265
  409   1HG   LYS  54          1HG       LYS  54   4.968   0.073  12.588
  410   2HG   LYS  54          2HG       LYS  54   4.841  -0.935  11.145
  411   1HD   LYS  54          1HD       LYS  54   2.932   0.551  10.395
  412   2HD   LYS  54          2HD       LYS  54   3.349   1.629  11.731
  413   1HE   LYS  54          1HE       LYS  54   5.637   0.817  10.054
  414   2HE   LYS  54          2HE       LYS  54   4.434   1.804   9.225
  415   1HZ   LYS  54          1HZ       LYS  54   4.759   2.961  11.697
  416   2HZ   LYS  54          2HZ       LYS  54   6.333   2.567  11.195
  417   3HZ   LYS  54          3HZ       LYS  54   5.347   3.546  10.218
  418    H    VAL  55           H        VAL  55   3.898  -2.402   9.329
  419    HA   VAL  55           HA       VAL  55   4.723  -5.127  10.158
  420    HB   VAL  55           HB       VAL  55   4.931  -3.641   7.537
  421   1HG1  VAL  55          1HG1      VAL  55   5.948  -6.372   8.347
  422   2HG1  VAL  55          2HG1      VAL  55   5.742  -5.873   6.668
  423   3HG1  VAL  55          3HG1      VAL  55   6.890  -5.026   7.704
  424   1HG2  VAL  55          1HG2      VAL  55   2.751  -4.825   8.547
  425   2HG2  VAL  55          2HG2      VAL  55   3.137  -4.907   6.828
  426   3HG2  VAL  55          3HG2      VAL  55   3.542  -6.257   7.888
  427    H    LEU  56           H        LEU  56   6.808  -5.533  10.790
  428    HA   LEU  56           HA       LEU  56   8.795  -3.329  10.454
  429   1HB   LEU  56          1HB       LEU  56   9.228  -5.136  12.720
  430   2HB   LEU  56          2HB       LEU  56   9.260  -3.372  12.674
  431    HG   LEU  56           HG       LEU  56   6.748  -5.073  12.719
  432   1HD1  LEU  56          1HD1      LEU  56   8.286  -3.595  14.851
  433   2HD1  LEU  56          2HD1      LEU  56   6.551  -3.867  15.012
  434   3HD1  LEU  56          3HD1      LEU  56   7.652  -5.240  14.890
  435   1HD2  LEU  56          1HD2      LEU  56   7.244  -2.343  11.980
  436   2HD2  LEU  56          2HD2      LEU  56   5.700  -3.191  12.062
  437   3HD2  LEU  56          3HD2      LEU  56   6.326  -2.360  13.486
  438    H    ARG  57           H        ARG  57  11.101  -4.290  10.847
  439    HA   ARG  57           HA       ARG  57  11.258  -6.981   9.553
  440   1HB   ARG  57          1HB       ARG  57  11.930  -4.784   8.212
  441   2HB   ARG  57          2HB       ARG  57  13.425  -4.960   9.133
  442   1HG   ARG  57          1HG       ARG  57  14.036  -6.393   7.481
  443   2HG   ARG  57          2HG       ARG  57  12.974  -7.538   8.304
  444   1HD   ARG  57          1HD       ARG  57  12.412  -7.417   5.915
  445   2HD   ARG  57          2HD       ARG  57  11.086  -6.792   6.895
  446    HE   ARG  57           HE       ARG  57  11.433  -4.691   5.892
  447   1HH1  ARG  57          1HH1      ARG  57  14.130  -6.796   5.440
  448   2HH1  ARG  57          2HH1      ARG  57  15.034  -5.650   4.508
  449   1HH2  ARG  57          1HH2      ARG  57  12.633  -3.159   4.745
  450   2HH2  ARG  57          2HH2      ARG  57  14.188  -3.591   4.117
  451    H    ASP  58           H        ASP  58  12.713  -8.400  10.503
  452    HA   ASP  58           HA       ASP  58  13.706  -7.728  13.146
  453   1HB   ASP  58          1HB       ASP  58  12.970 -10.046  12.158
  454   2HB   ASP  58          2HB       ASP  58  14.641 -10.129  11.600
  455    H    GLY  59           H        GLY  59  14.859  -6.882  10.165
  456   1HA   GLY  59          1HA       GLY  59  16.910  -5.707   9.787
  457   2HA   GLY  59          2HA       GLY  59  17.556  -6.410  11.272
  458    H    ALA  60           H        ALA  60  16.180  -8.974   9.861
  459    HA   ALA  60           HA       ALA  60  18.667  -9.657   8.347
  460   1HB   ALA  60          1HB       ALA  60  17.368 -10.989  10.513
  461   2HB   ALA  60          2HB       ALA  60  17.185 -11.997   9.077
  462   3HB   ALA  60          3HB       ALA  60  18.793 -11.513   9.616
  463    H    GLY  61           H        GLY  61  15.241  -9.315   8.223
  464   1HA   GLY  61          1HA       GLY  61  14.536  -9.123   5.741
  465   2HA   GLY  61          2HA       GLY  61  15.156 -10.769   5.614
  466    H    LYS  62           H        LYS  62  13.900 -10.541   8.655
  467    HA   LYS  62           HA       LYS  62  11.548 -12.106   7.919
  468   1HB   LYS  62          1HB       LYS  62  12.796 -11.187  10.493
  469   2HB   LYS  62          2HB       LYS  62  11.141 -11.797  10.503
  470   1HG   LYS  62          1HG       LYS  62  11.783 -13.941  10.027
  471   2HG   LYS  62          2HG       LYS  62  13.113 -13.420   8.991
  472   1HD   LYS  62          1HD       LYS  62  14.543 -13.015  10.835
  473   2HD   LYS  62          2HD       LYS  62  13.203 -13.030  11.983
  474   1HE   LYS  62          1HE       LYS  62  13.564 -15.223  12.323
  475   2HE   LYS  62          2HE       LYS  62  13.143 -15.525  10.638
  476   1HZ   LYS  62          1HZ       LYS  62  15.518 -14.869  10.132
  477   2HZ   LYS  62          2HZ       LYS  62  15.817 -15.023  11.797
  478   3HZ   LYS  62          3HZ       LYS  62  15.293 -16.366  10.898
  479    H    TYR  63           H        TYR  63   9.341 -11.486   8.653
  480    HA   TYR  63           HA       TYR  63   8.947  -8.527   8.795
  481   1HB   TYR  63          1HB       TYR  63   7.311 -10.453   7.115
  482   2HB   TYR  63          2HB       TYR  63   7.047  -8.716   7.257
  483    HD1  TYR  63           HD1      TYR  63   8.938  -7.148   6.549
  484    HD2  TYR  63           HD2      TYR  63   8.829 -11.318   5.541
  485    HE1  TYR  63           HE1      TYR  63  10.556  -6.745   4.707
  486    HE2  TYR  63           HE2      TYR  63  10.447 -10.921   3.701
  487    HH   TYR  63           HH       TYR  63  11.069  -8.786   2.231
  488    H    PHE  64           H        PHE  64   7.533  -7.958  10.412
  489    HA   PHE  64           HA       PHE  64   5.573 -10.016  11.322
  490   1HB   PHE  64          1HB       PHE  64   6.212  -8.798  13.691
  491   2HB   PHE  64          2HB       PHE  64   6.845 -10.355  13.172
  492    HD1  PHE  64           HD1      PHE  64   8.963 -10.130  11.485
  493    HD2  PHE  64           HD2      PHE  64   7.734  -7.210  14.388
  494    HE1  PHE  64           HE1      PHE  64  11.260  -9.199  11.524
  495    HE2  PHE  64           HE2      PHE  64  10.031  -6.279  14.421
  496    HZ   PHE  64           HZ       PHE  64  11.793  -7.275  12.993
  497    H    LEU  65           H        LEU  65   3.955  -8.877  12.922
  498    HA   LEU  65           HA       LEU  65   3.680  -6.041  12.865
  499   1HB   LEU  65          1HB       LEU  65   1.638  -5.963  11.323
  500   2HB   LEU  65          2HB       LEU  65   3.209  -6.122  10.528
  501    HG   LEU  65           HG       LEU  65   2.360  -8.758  11.136
  502   1HD1  LEU  65          1HD1      LEU  65   0.175  -6.964  10.092
  503   2HD1  LEU  65          2HD1      LEU  65   0.210  -8.682   9.698
  504   3HD1  LEU  65          3HD1      LEU  65   0.085  -8.164  11.380
  505   1HD2  LEU  65          1HD2      LEU  65   3.685  -7.733   9.161
  506   2HD2  LEU  65          2HD2      LEU  65   2.597  -9.074   8.800
  507   3HD2  LEU  65          3HD2      LEU  65   2.105  -7.418   8.441
  508    H    TRP  66           H        TRP  66   3.402  -7.557  14.967
  509    HA   TRP  66           HA       TRP  66   1.119  -6.911  16.253
  510   1HB   TRP  66          1HB       TRP  66   0.168  -8.562  14.271
  511   2HB   TRP  66          2HB       TRP  66   0.348  -9.677  15.615
  512    HD1  TRP  66           HD1      TRP  66  -2.493  -8.850  14.576
  513    HE1  TRP  66           HE1      TRP  66  -4.128  -7.612  16.131
  514    HE3  TRP  66           HE3      TRP  66   0.792  -6.939  18.011
  515    HZ2  TRP  66           HZ2      TRP  66  -4.063  -6.026  18.501
  516    HZ3  TRP  66           HZ3      TRP  66  -0.029  -5.568  19.894
  517    HH2  TRP  66           HH2      TRP  66  -2.447  -5.105  20.144
  518    H    VAL  67           H        VAL  67   2.055 -10.349  15.920
  519    HA   VAL  67           HA       VAL  67   3.450 -10.089  18.546
  520    HB   VAL  67           HB       VAL  67   1.724 -12.472  17.880
  521   1HG1  VAL  67          1HG1      VAL  67   3.576 -12.093  19.829
  522   2HG1  VAL  67          2HG1      VAL  67   2.140 -11.466  20.638
  523   3HG1  VAL  67          3HG1      VAL  67   2.157 -13.121  20.028
  524   1HG2  VAL  67          1HG2      VAL  67   0.944  -9.762  18.870
  525   2HG2  VAL  67          2HG2      VAL  67   0.026 -10.903  17.888
  526   3HG2  VAL  67          3HG2      VAL  67   0.181 -11.160  19.626
  527    H    VAL  68           H        VAL  68   2.759 -12.874  16.403
  528    HA   VAL  68           HA       VAL  68   5.559 -13.700  16.600
  529    HB   VAL  68           HB       VAL  68   3.384 -14.859  14.837
  530   1HG1  VAL  68          1HG1      VAL  68   5.796 -15.502  14.427
  531   2HG1  VAL  68          2HG1      VAL  68   5.833 -16.152  16.066
  532   3HG1  VAL  68          3HG1      VAL  68   4.747 -16.850  14.865
  533   1HG2  VAL  68          1HG2      VAL  68   3.288 -14.646  17.595
  534   2HG2  VAL  68          2HG2      VAL  68   2.451 -15.871  16.642
  535   3HG2  VAL  68          3HG2      VAL  68   4.023 -16.231  17.355
  536    H    LYS  69           H        LYS  69   6.984 -13.940  14.768
  537    HA   LYS  69           HA       LYS  69   6.364 -12.014  12.570
  538   1HB   LYS  69          1HB       LYS  69   8.824 -11.836  12.286
  539   2HB   LYS  69          2HB       LYS  69   8.322 -11.379  13.915
  540   1HG   LYS  69          1HG       LYS  69   8.720 -14.127  14.102
  541   2HG   LYS  69          2HG       LYS  69  10.035 -13.585  13.057
  542   1HD   LYS  69          1HD       LYS  69  10.253 -11.664  14.864
  543   2HD   LYS  69          2HD       LYS  69   9.446 -12.842  15.900
  544   1HE   LYS  69          1HE       LYS  69  11.257 -14.490  14.894
  545   2HE   LYS  69          2HE       LYS  69  12.143 -12.993  14.604
  546   1HZ   LYS  69          1HZ       LYS  69  11.733 -12.438  16.981
  547   2HZ   LYS  69          2HZ       LYS  69  11.123 -14.005  17.198
  548   3HZ   LYS  69          3HZ       LYS  69  12.745 -13.782  16.741
  549    H    PHE  70           H        PHE  70   7.961 -12.714  10.578
  550    HA   PHE  70           HA       PHE  70   7.937 -15.637  10.195
  551   1HB   PHE  70          1HB       PHE  70   6.163 -13.735   8.656
  552   2HB   PHE  70          2HB       PHE  70   6.619 -15.315   8.021
  553    HD1  PHE  70           HD1      PHE  70   4.870 -13.567  10.787
  554    HD2  PHE  70           HD2      PHE  70   5.699 -17.336   8.899
  555    HE1  PHE  70           HE1      PHE  70   3.118 -14.650  12.175
  556    HE2  PHE  70           HE2      PHE  70   3.949 -18.419  10.286
  557    HZ   PHE  70           HZ       PHE  70   2.661 -17.075  11.924
  558    H    ASN  71           H        ASN  71   8.335 -15.737   7.481
  559    HA   ASN  71           HA       ASN  71  10.750 -14.015   7.102
  560   1HB   ASN  71          1HB       ASN  71  10.859 -16.679   7.386
  561   2HB   ASN  71          2HB       ASN  71  10.498 -16.617   5.661
  562   1HD2  ASN  71          2HD2      ASN  71  11.932 -13.902   5.511
  563   2HD2  ASN  71          1HD2      ASN  71  13.580 -14.305   5.502
  564    H    SER  72           H        SER  72   7.689 -14.119   6.171
  565    HA   SER  72           HA       SER  72   8.291 -12.969   3.559
  566   1HB   SER  72          1HB       SER  72   7.864 -15.623   3.486
  567   2HB   SER  72          2HB       SER  72   6.198 -15.055   3.408
  568    HG   SER  72           HG       SER  72   8.244 -14.860   1.572
  569    H    LEU  73           H        LEU  73   6.556 -11.725   2.740
  570    HA   LEU  73           HA       LEU  73   4.837 -10.577   4.742
  571   1HB   LEU  73          1HB       LEU  73   4.648 -10.425   1.716
  572   2HB   LEU  73          2HB       LEU  73   3.796  -9.379   2.849
  573    HG   LEU  73           HG       LEU  73   6.617  -9.321   1.989
  574   1HD1  LEU  73          1HD1      LEU  73   4.423  -7.625   2.079
  575   2HD1  LEU  73          2HD1      LEU  73   5.441  -7.037   3.398
  576   3HD1  LEU  73          3HD1      LEU  73   6.088  -7.131   1.759
  577   1HD2  LEU  73          1HD2      LEU  73   5.795  -8.994   4.890
  578   2HD2  LEU  73          2HD2      LEU  73   7.037 -10.069   4.244
  579   3HD2  LEU  73          3HD2      LEU  73   7.285  -8.323   4.229
  580    H    ASN  74           H        ASN  74   3.938 -12.324   1.757
  581    HA   ASN  74           HA       ASN  74   1.262 -12.849   2.461
  582   1HB   ASN  74          1HB       ASN  74   1.256 -13.997   0.511
  583   2HB   ASN  74          2HB       ASN  74   2.946 -13.516   0.355
  584   1HD2  ASN  74          2HD2      ASN  74   4.521 -15.067   1.640
  585   2HD2  ASN  74          1HD2      ASN  74   4.171 -16.725   1.539
  586    H    GLU  75           H        GLU  75   4.211 -14.193   3.665
  587    HA   GLU  75           HA       GLU  75   3.152 -16.665   4.717
  588   1HB   GLU  75          1HB       GLU  75   5.600 -14.987   5.162
  589   2HB   GLU  75          2HB       GLU  75   5.176 -16.154   6.416
  590   1HG   GLU  75          1HG       GLU  75   5.086 -17.126   3.608
  591   2HG   GLU  75          2HG       GLU  75   6.683 -16.794   4.280
  592    H    LEU  76           H        LEU  76   3.638 -13.411   6.106
  593    HA   LEU  76           HA       LEU  76   2.533 -14.017   8.679
  594   1HB   LEU  76          1HB       LEU  76   2.836 -11.456   7.100
  595   2HB   LEU  76          2HB       LEU  76   2.070 -11.476   8.689
  596    HG   LEU  76           HG       LEU  76   4.472 -13.004   8.862
  597   1HD1  LEU  76          1HD1      LEU  76   4.667 -10.928   6.914
  598   2HD1  LEU  76          2HD1      LEU  76   5.562 -10.407   8.341
  599   3HD1  LEU  76          3HD1      LEU  76   5.964 -11.935   7.558
  600   1HD2  LEU  76          1HD2      LEU  76   3.101 -11.462  10.510
  601   2HD2  LEU  76          2HD2      LEU  76   4.844 -11.637  10.715
  602   3HD2  LEU  76          3HD2      LEU  76   4.190 -10.207   9.917
  603    H    VAL  77           H        VAL  77   1.127 -13.293   5.567
  604    HA   VAL  77           HA       VAL  77  -1.528 -12.629   6.465
  605    HB   VAL  77           HB       VAL  77  -0.646 -13.935   3.874
  606   1HG1  VAL  77          1HG1      VAL  77  -3.174 -12.488   4.683
  607   2HG1  VAL  77          2HG1      VAL  77  -2.761 -12.900   3.017
  608   3HG1  VAL  77          3HG1      VAL  77  -3.023 -14.178   4.205
  609   1HG2  VAL  77          1HG2      VAL  77   0.439 -11.711   4.438
  610   2HG2  VAL  77          2HG2      VAL  77  -0.518 -11.706   2.956
  611   3HG2  VAL  77          3HG2      VAL  77  -1.175 -11.002   4.435
  612    H    ASP  78           H        ASP  78  -0.450 -15.603   4.834
  613    HA   ASP  78           HA       ASP  78  -2.609 -17.247   5.387
  614   1HB   ASP  78          1HB       ASP  78   0.311 -17.688   4.952
  615   2HB   ASP  78          2HB       ASP  78  -0.597 -19.041   5.636
  616    H    TYR  79           H        TYR  79   0.191 -16.613   7.526
  617    HA   TYR  79           HA       TYR  79  -0.520 -18.399   9.610
  618   1HB   TYR  79          1HB       TYR  79   1.563 -17.460   9.995
  619   2HB   TYR  79          2HB       TYR  79   1.048 -15.852   9.477
  620    HD1  TYR  79           HD1      TYR  79   0.478 -18.391  12.169
  621    HD2  TYR  79           HD2      TYR  79   0.448 -14.237  11.077
  622    HE1  TYR  79           HE1      TYR  79   0.014 -17.776  14.527
  623    HE2  TYR  79           HE2      TYR  79  -0.014 -13.622  13.435
  624    HH   TYR  79           HH       TYR  79   0.548 -15.323  15.922
  625    H    HIS  80           H        HIS  80  -1.211 -14.893   9.431
  626    HA   HIS  80           HA       HIS  80  -3.105 -14.997  11.610
  627   1HB   HIS  80          1HB       HIS  80  -2.128 -12.967   9.682
  628   2HB   HIS  80          2HB       HIS  80  -3.762 -12.707  10.294
  629    HD1  HIS  80           HD1      HIS  80  -0.973 -11.152  11.066
  630    HD2  HIS  80           HD2      HIS  80  -3.126 -13.850  13.404
  631    HE1  HIS  80           HE1      HIS  80  -0.335 -10.683  13.472
  632    H    ARG  81           H        ARG  81  -3.305 -16.152   8.489
  633    HA   ARG  81           HA       ARG  81  -6.096 -15.438   7.969
  634   1HB   ARG  81          1HB       ARG  81  -4.039 -17.188   6.642
  635   2HB   ARG  81          2HB       ARG  81  -5.739 -17.366   6.212
  636   1HG   ARG  81          1HG       ARG  81  -5.446 -14.640   6.160
  637   2HG   ARG  81          2HG       ARG  81  -3.862 -15.177   5.583
  638   1HD   ARG  81          1HD       ARG  81  -6.066 -16.705   4.414
  639   2HD   ARG  81          2HD       ARG  81  -6.161 -14.984   4.030
  640    HE   ARG  81           HE       ARG  81  -3.478 -15.878   3.617
  641   1HH1  ARG  81          1HH1      ARG  81  -5.595 -17.962   2.512
  642   2HH1  ARG  81          2HH1      ARG  81  -5.564 -17.517   0.838
  643   1HH2  ARG  81          1HH2      ARG  81  -3.890 -14.531   1.391
  644   2HH2  ARG  81          2HH2      ARG  81  -4.599 -15.575   0.203
  645    H    SER  82           H        SER  82  -4.313 -17.921   9.590
  646    HA   SER  82           HA       SER  82  -6.827 -19.492   9.986
  647   1HB   SER  82          1HB       SER  82  -4.402 -20.788  10.933
  648   2HB   SER  82          2HB       SER  82  -5.589 -21.371   9.769
  649    HG   SER  82           HG       SER  82  -3.501 -21.059   8.848
  650    H    THR  83           H        THR  83  -4.494 -17.453  11.429
  651    HA   THR  83           HA       THR  83  -5.410 -18.229  14.160
  652    HB   THR  83           HB       THR  83  -3.020 -16.500  13.482
  653    HG1  THR  83           HG1      THR  83  -2.622 -19.111  14.260
  654   1HG2  THR  83          1HG2      THR  83  -4.288 -17.515  15.910
  655   2HG2  THR  83          2HG2      THR  83  -2.575 -17.928  15.822
  656   3HG2  THR  83          3HG2      THR  83  -3.082 -16.242  15.723
  657    H    SER  84           H        SER  84  -6.494 -16.700  15.368
  658    HA   SER  84           HA       SER  84  -7.833 -14.558  14.139
  659   1HB   SER  84          1HB       SER  84  -7.747 -13.686  16.700
  660   2HB   SER  84          2HB       SER  84  -8.808 -14.986  16.163
  661    HG   SER  84           HG       SER  84  -7.108 -15.196  18.033
  662    H    VAL  85           H        VAL  85  -7.484 -12.253  15.467
  663    HA   VAL  85           HA       VAL  85  -4.634 -11.474  15.104
  664    HB   VAL  85           HB       VAL  85  -5.694  -9.310  14.039
  665   1HG1  VAL  85          1HG1      VAL  85  -4.985 -11.945  12.842
  666   2HG1  VAL  85          2HG1      VAL  85  -5.727 -10.753  11.774
  667   3HG1  VAL  85          3HG1      VAL  85  -4.228 -10.368  12.619
  668   1HG2  VAL  85          1HG2      VAL  85  -7.906 -11.299  13.944
  669   2HG2  VAL  85          2HG2      VAL  85  -7.970  -9.542  13.945
  670   3HG2  VAL  85          3HG2      VAL  85  -7.603 -10.408  12.456
  671    H    SER  86           H        SER  86  -7.851 -10.685  16.329
  672    HA   SER  86           HA       SER  86  -6.553  -8.812  18.268
  673   1HB   SER  86          1HB       SER  86  -8.372  -8.008  16.582
  674   2HB   SER  86          2HB       SER  86  -9.501  -8.844  17.648
  675    HG   SER  86           HG       SER  86  -8.815  -6.476  18.011
  676    H    ARG  87           H        ARG  87  -7.211  -8.972  20.481
  677    HA   ARG  87           HA       ARG  87  -7.994 -11.690  21.267
  678   1HB   ARG  87          1HB       ARG  87  -7.624  -9.409  23.194
  679   2HB   ARG  87          2HB       ARG  87  -7.250 -11.120  23.414
  680   1HG   ARG  87          1HG       ARG  87  -5.710 -10.290  21.205
  681   2HG   ARG  87          2HG       ARG  87  -5.550  -9.006  22.405
  682   1HD   ARG  87          1HD       ARG  87  -5.409 -11.541  23.743
  683   2HD   ARG  87          2HD       ARG  87  -4.272 -11.547  22.395
  684    HE   ARG  87           HE       ARG  87  -3.543  -9.242  23.435
  685   1HH1  ARG  87          1HH1      ARG  87  -3.273 -12.299  24.646
  686   2HH1  ARG  87          2HH1      ARG  87  -3.032 -11.843  26.300
  687   1HH2  ARG  87          1HH2      ARG  87  -3.851  -8.514  25.776
  688   2HH2  ARG  87          2HH2      ARG  87  -3.360  -9.699  26.940
  689    H    ASN  88           H        ASN  88  -9.841  -9.374  20.117
  690    HA   ASN  88           HA       ASN  88 -11.913  -9.499  22.256
  691   1HB   ASN  88          1HB       ASN  88 -11.054  -7.351  20.811
  692   2HB   ASN  88          2HB       ASN  88 -12.424  -7.879  19.832
  693   1HD2  ASN  88          2HD2      ASN  88 -14.205  -6.634  20.437
  694   2HD2  ASN  88          1HD2      ASN  88 -14.647  -6.283  22.038
  695    H    GLN  89           H        GLN  89 -11.175 -10.520  18.996
  696    HA   GLN  89           HA       GLN  89 -13.525 -12.294  19.042
  697   1HB   GLN  89          1HB       GLN  89 -13.174 -10.054  17.044
  698   2HB   GLN  89          2HB       GLN  89 -14.130 -11.490  16.671
  699   1HG   GLN  89          1HG       GLN  89 -15.561 -11.075  18.618
  700   2HG   GLN  89          2HG       GLN  89 -14.585  -9.673  19.057
  701   1HE2  GLN  89          1HE2      GLN  89 -14.204  -8.506  16.490
  702   2HE2  GLN  89          2HE2      GLN  89 -15.709  -7.998  15.890
  703    H    GLN  90           H        GLN  90 -13.465 -13.336  16.550
  704    HA   GLN  90           HA       GLN  90 -10.630 -14.249  16.281
  705   1HB   GLN  90          1HB       GLN  90 -12.246 -16.008  14.834
  706   2HB   GLN  90          2HB       GLN  90 -11.540 -16.307  16.425
  707   1HG   GLN  90          1HG       GLN  90 -13.563 -15.137  17.422
  708   2HG   GLN  90          2HG       GLN  90 -14.280 -15.177  15.811
  709   1HE2  GLN  90          2HE2      GLN  90 -12.420 -17.594  17.759
  710   2HE2  GLN  90          1HE2      GLN  90 -13.551 -18.841  17.551
  711    H    ILE  91           H        ILE  91 -10.214 -12.352  14.879
  712    HA   ILE  91           HA       ILE  91 -11.520 -12.586  12.209
  713    HB   ILE  91           HB       ILE  91  -9.730 -10.310  13.038
  714   1HG1  ILE  91          1HG1      ILE  91 -12.559  -9.725  13.304
  715   2HG1  ILE  91          2HG1      ILE  91 -12.090 -11.019  14.405
  716   1HG2  ILE  91          1HG2      ILE  91 -11.759 -10.917  10.942
  717   2HG2  ILE  91          2HG2      ILE  91 -11.627  -9.249  11.493
  718   3HG2  ILE  91          3HG2      ILE  91 -10.223 -10.068  10.795
  719   1HD1  ILE  91          1HD1      ILE  91 -10.598  -8.394  14.147
  720   2HD1  ILE  91          2HD1      ILE  91 -11.813  -8.720  15.383
  721   3HD1  ILE  91          3HD1      ILE  91 -10.319  -9.656  15.346
  722    H    PHE  92           H        PHE  92 -10.130 -12.585  10.314
  723    HA   PHE  92           HA       PHE  92  -7.256 -13.124  10.849
  724   1HB   PHE  92          1HB       PHE  92  -8.987 -14.933   9.129
  725   2HB   PHE  92          2HB       PHE  92  -7.287 -15.166   9.519
  726    HD1  PHE  92           HD1      PHE  92 -10.625 -14.742  11.229
  727    HD2  PHE  92           HD2      PHE  92  -6.721 -16.549  11.327
  728    HE1  PHE  92           HE1      PHE  92 -11.264 -16.024  13.245
  729    HE2  PHE  92           HE2      PHE  92  -7.374 -17.829  13.345
  730    HZ   PHE  92           HZ       PHE  92  -9.643 -17.567  14.304
  731    H    LEU  93           H        LEU  93  -5.939 -12.912   8.856
  732    HA   LEU  93           HA       LEU  93  -6.744 -10.739   7.171
  733   1HB   LEU  93          1HB       LEU  93  -4.548 -12.804   7.025
  734   2HB   LEU  93          2HB       LEU  93  -4.817 -11.720   5.673
  735    HG   LEU  93           HG       LEU  93  -3.492 -11.211   8.213
  736   1HD1  LEU  93          1HD1      LEU  93  -3.334 -10.470   5.457
  737   2HD1  LEU  93          2HD1      LEU  93  -3.436  -8.988   6.406
  738   3HD1  LEU  93          3HD1      LEU  93  -2.162 -10.158   6.736
  739   1HD2  LEU  93          1HD2      LEU  93  -5.737 -10.214   8.749
  740   2HD2  LEU  93          2HD2      LEU  93  -4.434  -9.027   8.705
  741   3HD2  LEU  93          3HD2      LEU  93  -5.554  -9.158   7.350
  742    H    ARG  94           H        ARG  94  -7.744 -10.717   5.163
  743    HA   ARG  94           HA       ARG  94  -8.308 -13.340   3.872
  744   1HB   ARG  94          1HB       ARG  94 -10.402 -11.208   4.409
  745   2HB   ARG  94          2HB       ARG  94 -10.662 -12.704   3.516
  746   1HG   ARG  94          1HG       ARG  94  -9.449 -13.109   6.163
  747   2HG   ARG  94          2HG       ARG  94 -11.059 -12.394   6.225
  748   1HD   ARG  94          1HD       ARG  94 -12.019 -14.350   5.664
  749   2HD   ARG  94          2HD       ARG  94 -10.965 -14.522   4.260
  750    HE   ARG  94           HE       ARG  94  -9.361 -15.181   6.449
  751   1HH1  ARG  94          1HH1      ARG  94 -12.378 -16.069   7.034
  752   2HH1  ARG  94          2HH1      ARG  94 -12.211 -17.763   6.714
  753   1HH2  ARG  94          1HH2      ARG  94  -9.110 -17.441   5.196
  754   2HH2  ARG  94          2HH2      ARG  94 -10.361 -18.540   5.673
  755    H    ASP  95           H        ASP  95  -9.684 -12.593   1.682
  756    HA   ASP  95           HA       ASP  95  -7.715 -10.915   0.254
  757   1HB   ASP  95          1HB       ASP  95  -8.893 -11.672  -1.779
  758   2HB   ASP  95          2HB       ASP  95  -8.457 -13.039  -0.754
  759    H    ILE  96           H        ILE  96  -8.116  -8.832  -0.464
  760    HA   ILE  96           HA       ILE  96 -10.844  -7.731   0.063
  761    HB   ILE  96           HB       ILE  96  -8.313  -6.141  -0.264
  762   1HG1  ILE  96          1HG1      ILE  96  -9.582  -7.112   2.309
  763   2HG1  ILE  96          2HG1      ILE  96  -8.011  -7.608   1.680
  764   1HG2  ILE  96          1HG2      ILE  96 -10.477  -4.992  -0.566
  765   2HG2  ILE  96          2HG2      ILE  96 -10.945  -5.509   1.051
  766   3HG2  ILE  96          3HG2      ILE  96  -9.594  -4.402   0.840
  767   1HD1  ILE  96          1HD1      ILE  96  -8.691  -4.703   2.156
  768   2HD1  ILE  96          2HD1      ILE  96  -8.011  -5.716   3.431
  769   3HD1  ILE  96          3HD1      ILE  96  -7.095  -5.432   1.954
  770    H    GLU  97           H        GLU  97 -11.623  -6.162  -1.414
  771    HA   GLU  97           HA       GLU  97 -12.267  -5.600  -3.608
  772   1HB   GLU  97          1HB       GLU  97  -9.573  -4.695  -2.973
  773   2HB   GLU  97          2HB       GLU  97  -9.818  -4.863  -4.712
  774   1HG   GLU  97          1HG       GLU  97 -11.755  -3.414  -2.895
  775   2HG   GLU  97          2HG       GLU  97 -10.458  -2.602  -3.771
  776    H    GLN  98           H        GLN  98 -11.280  -5.745  -6.039
  777    HA   GLN  98           HA       GLN  98 -10.636  -7.132  -7.823
  778   1HB   GLN  98          1HB       GLN  98  -9.654  -9.072  -5.723
  779   2HB   GLN  98          2HB       GLN  98  -9.160  -8.977  -7.411
  780   1HG   GLN  98          1HG       GLN  98  -7.797  -7.174  -7.058
  781   2HG   GLN  98          2HG       GLN  98  -8.858  -6.486  -5.829
  782   1HE2  GLN  98          2HE2      GLN  98  -7.626  -9.837  -5.729
  783   2HE2  GLN  98          1HE2      GLN  98  -6.664  -9.610  -4.350
  784    H    VAL  99           H        VAL  99 -12.735  -8.156  -5.306
  785    HA   VAL  99           HA       VAL  99 -14.399  -9.791  -5.173
  786    HB   VAL  99           HB       VAL  99 -15.724 -10.038  -7.329
  787   1HG1  VAL  99          1HG1      VAL  99 -15.739  -8.086  -5.512
  788   2HG1  VAL  99          2HG1      VAL  99 -15.269  -7.131  -6.918
  789   3HG1  VAL  99          3HG1      VAL  99 -16.778  -8.045  -6.938
  790   1HG2  VAL  99          1HG2      VAL  99 -13.836  -9.689  -8.908
  791   2HG2  VAL  99          2HG2      VAL  99 -15.158  -8.555  -9.190
  792   3HG2  VAL  99          3HG2      VAL  99 -13.707  -8.020  -8.346
  793    HA   PRO 100           HA       PRO 100 -12.746 -13.662  -6.209
  794   1HB   PRO 100          1HB       PRO 100 -14.919 -15.268  -6.737
  795   2HB   PRO 100          2HB       PRO 100 -14.424 -14.742  -5.119
  796   1HG   PRO 100          1HG       PRO 100 -16.703 -13.794  -6.777
  797   2HG   PRO 100          2HG       PRO 100 -16.502 -13.759  -5.018
  798   1HD   PRO 100          1HD       PRO 100 -16.176 -11.570  -6.772
  799   2HD   PRO 100          2HD       PRO 100 -15.690 -11.620  -5.070
  800    H    GLN 101           H        GLN 101 -11.783 -12.740  -8.182
  801    HA   GLN 101           HA       GLN 101 -11.975 -12.380 -10.650
  802   1HB   GLN 101          1HB       GLN 101 -10.763 -15.069  -9.968
  803   2HB   GLN 101          2HB       GLN 101 -10.419 -14.115 -11.411
  804   1HG   GLN 101          1HG       GLN 101 -10.089 -12.694  -8.825
  805   2HG   GLN 101          2HG       GLN 101  -8.926 -13.976  -9.140
  806   1HE2  GLN 101          2HE2      GLN 101 -10.485 -11.600 -11.384
  807   2HE2  GLN 101          1HE2      GLN 101  -9.018 -10.985 -11.968
  808    H    GLN 102           H        GLN 102 -13.615 -12.496 -11.982
  809    HA   GLN 102           HA       GLN 102 -14.905 -13.619 -13.662
  810   1HB   GLN 102          1HB       GLN 102 -15.217 -15.891 -13.718
  811   2HB   GLN 102          2HB       GLN 102 -13.752 -15.827 -12.743
  812   1HG   GLN 102          1HG       GLN 102 -14.929 -17.070 -11.272
  813   2HG   GLN 102          2HG       GLN 102 -15.691 -15.547 -10.827
  814   1HE2  GLN 102          2HE2      GLN 102 -17.880 -16.031 -10.574
  815   2HE2  GLN 102          1HE2      GLN 102 -18.820 -16.891 -11.697
  816    HA   PRO 103           HA       PRO 103 -18.361 -13.372 -10.336
  817   1HB   PRO 103          1HB       PRO 103 -18.107 -11.036  -8.930
  818   2HB   PRO 103          2HB       PRO 103 -17.431 -12.576  -8.372
  819   1HG   PRO 103          1HG       PRO 103 -16.018 -10.228  -9.547
  820   2HG   PRO 103          2HG       PRO 103 -15.416 -11.450  -8.417
  821   1HD   PRO 103          1HD       PRO 103 -14.892 -11.376 -11.185
  822   2HD   PRO 103          2HD       PRO 103 -14.608 -12.728 -10.076
  823    H    THR 104           H        THR 104 -18.924 -12.855 -12.752
  824    HA   THR 104           HA       THR 104 -19.821 -11.404 -14.392
  825    HB   THR 104           HB       THR 104 -21.884 -10.797 -13.670
  826    HG1  THR 104           HG1      THR 104 -21.228  -9.620 -11.280
  827   1HG2  THR 104          1HG2      THR 104 -21.184 -12.804 -12.224
  828   2HG2  THR 104          2HG2      THR 104 -20.995 -11.640 -10.913
  829   3HG2  THR 104          3HG2      THR 104 -22.573 -11.867 -11.668
  830   2H    ASP   1          2H        ASP   1  -2.459  14.637  10.896
  831   1H    ASP   1          1H        ASP   1  -1.673  13.148  10.693
  832   3H    ASP   1          3H        ASP   1  -1.887  13.788  12.252
  833    HA   ASP   1           HA       ASP   1  -3.968  13.034  12.438
  834   1HB   ASP   1          1HB       ASP   1  -4.123  14.137   9.676
  835   2HB   ASP   1          2HB       ASP   1  -5.325  12.922  10.116
  836    H    ASP   2           H        ASP   2  -2.309  11.127  12.578
  837    HA   ASP   2           HA       ASP   2  -2.848   9.165  10.397
  838   1HB   ASP   2          1HB       ASP   2  -0.803   8.729  12.556
  839   2HB   ASP   2          2HB       ASP   2  -0.812   8.132  10.896
  840    HA   PRO   3           HA       PRO   3  -5.396   7.013  13.314
  841   1HB   PRO   3          1HB       PRO   3  -5.771   4.763  11.786
  842   2HB   PRO   3          2HB       PRO   3  -6.603   6.297  11.478
  843   1HG   PRO   3          1HG       PRO   3  -4.344   5.051   9.979
  844   2HG   PRO   3          2HG       PRO   3  -5.582   6.183   9.407
  845   1HD   PRO   3          1HD       PRO   3  -2.908   6.840  10.083
  846   2HD   PRO   3          2HD       PRO   3  -4.233   7.992   9.810
  847    H    SER   4           H        SER   4  -2.406   5.782  12.019
  848    HA   SER   4           HA       SER   4  -0.763   4.468  13.085
  849   1HB   SER   4          1HB       SER   4  -2.722   3.890  15.306
  850   2HB   SER   4          2HB       SER   4  -0.960   3.884  15.368
  851    HG   SER   4           HG       SER   4  -1.448   5.815  16.196
  852   1HN   PTR   5           HN       PTR   5  -0.783   2.044  14.100
  853    HA   PTR   5           HA       PTR   5  -2.805   0.463  12.577
  854   1HB   PTR   5           HB1      PTR   5  -1.143  -0.819  11.538
  855   2HB   PTR   5           HB2      PTR   5   0.044  -0.468  12.793
  856    HD1  PTR   5           HD1      PTR   5  -1.993   1.191  10.139
  857    HD2  PTR   5           HD2      PTR   5   1.624   1.214  12.433
  858    HE1  PTR   5           HE1      PTR   5  -1.181   3.135   8.826
  859    HE2  PTR   5           HE2      PTR   5   2.452   3.150  11.119
  860    H    VAL   6           H        VAL   6  -3.909  -0.648  14.117
  861    HA   VAL   6           HA       VAL   6  -4.012  -1.149  16.595
  862    HB   VAL   6           HB       VAL   6  -5.109  -2.898  15.742
  863   1HG1  VAL   6          1HG1      VAL   6  -4.242  -2.345  13.517
  864   2HG1  VAL   6          2HG1      VAL   6  -2.790  -3.290  13.843
  865   3HG1  VAL   6          3HG1      VAL   6  -4.358  -4.082  13.746
  866   1HG2  VAL   6          1HG2      VAL   6  -3.209  -3.848  17.325
  867   2HG2  VAL   6          2HG2      VAL   6  -4.201  -4.952  16.384
  868   3HG2  VAL   6          3HG2      VAL   6  -2.580  -4.535  15.824
  869    H    ASN   7           H        ASN   7  -1.383  -3.231  15.215
  870    HA   ASN   7           HA       ASN   7  -0.192  -3.592  17.788
  871   1HB   ASN   7          1HB       ASN   7   1.641  -4.681  16.696
  872   2HB   ASN   7          2HB       ASN   7   0.176  -5.119  15.835
  873   1HD2  ASN   7          2HD2      ASN   7   0.867  -5.383  13.726
  874   2HD2  ASN   7          1HD2      ASN   7   1.838  -4.299  12.847
  875    H    VAL   8           H        VAL   8   0.678  -1.409  15.145
  876    HA   VAL   8           HA       VAL   8   2.787   0.005  15.451
  877    HB   VAL   8           HB       VAL   8   0.713   1.004  14.532
  878   1HG1  VAL   8          1HG1      VAL   8  -0.478   0.378  16.800
  879   2HG1  VAL   8          2HG1      VAL   8   0.089   1.970  17.314
  880   3HG1  VAL   8          3HG1      VAL   8  -0.987   1.822  15.922
  881   1HG2  VAL   8          1HG2      VAL   8   2.493   2.517  16.436
  882   2HG2  VAL   8          2HG2      VAL   8   2.476   2.551  14.668
  883   3HG2  VAL   8          3HG2      VAL   8   1.198   3.361  15.578
  884    H    GLN   9           H        GLN   9   4.227   0.460  17.073
  885    HA   GLN   9           HA       GLN   9   3.745   0.039  19.784
  886   1HB   GLN   9          1HB       GLN   9   5.755   1.292  20.246
  887   2HB   GLN   9          2HB       GLN   9   6.000   0.450  18.716
  888   1HG   GLN   9          1HG       GLN   9   5.623   2.428  17.446
  889   2HG   GLN   9          2HG       GLN   9   4.951   3.282  18.836
  890   1HE2  GLN   9          2HE2      GLN   9   7.923   2.415  17.207
  891   2HE2  GLN   9          1HE2      GLN   9   8.973   3.206  18.280
  892    H    ASN  10           H        ASN  10   3.207   1.430  21.538
  893    HA   ASN  10           HA       ASN  10   1.025   3.100  21.283
  894   1HB   ASN  10          1HB       ASN  10   3.052   2.640  23.306
  895   2HB   ASN  10          2HB       ASN  10   2.556   4.333  23.293
  896   1HD2  ASN  10          2HD2      ASN  10   0.675   1.319  22.633
  897   2HD2  ASN  10          1HD2      ASN  10  -0.515   1.636  23.802
  898    H    LEU  11           H        LEU  11   0.940   5.548  21.542
  899    HA   LEU  11           HA       LEU  11   2.526   6.755  19.420
  900   1HB   LEU  11          1HB       LEU  11   0.083   7.327  20.743
  901   2HB   LEU  11          2HB       LEU  11   1.139   8.717  21.001
  902    HG   LEU  11           HG       LEU  11   1.291   7.682  18.269
  903   1HD1  LEU  11          1HD1      LEU  11  -1.359   8.592  19.405
  904   2HD1  LEU  11          2HD1      LEU  11  -0.978   8.712  17.688
  905   3HD1  LEU  11          3HD1      LEU  11  -1.021   7.134  18.473
  906   1HD2  LEU  11          1HD2      LEU  11   2.201   9.853  19.028
  907   2HD2  LEU  11          2HD2      LEU  11   0.993  10.079  17.763
  908   3HD2  LEU  11          3HD2      LEU  11   0.574  10.386  19.448
  909    H    ASP  12           H        ASP  12   3.393   5.997  22.476
  910    HA   ASP  12           HA       ASP  12   4.422   8.212  23.773
  911   1HB   ASP  12          1HB       ASP  12   5.710   5.511  23.301
  912   2HB   ASP  12          2HB       ASP  12   6.397   6.720  24.387
  913    H    LYS  13           H        LYS  13   5.771   6.617  20.898
  914    HA   LYS  13           HA       LYS  13   7.393   7.348  19.370
  915   1HB   LYS  13          1HB       LYS  13   6.257   9.941  20.421
  916   2HB   LYS  13          2HB       LYS  13   7.538   9.923  19.207
  917   1HG   LYS  13          1HG       LYS  13   4.937   8.401  18.900
  918   2HG   LYS  13          2HG       LYS  13   5.193  10.024  18.259
  919   1HD   LYS  13          1HD       LYS  13   6.357   9.231  16.500
  920   2HD   LYS  13          2HD       LYS  13   7.393   8.265  17.551
  921   1HE   LYS  13          1HE       LYS  13   4.598   7.465  16.687
  922   2HE   LYS  13          2HE       LYS  13   6.085   6.868  15.949
  923   1HZ   LYS  13          1HZ       LYS  13   5.430   6.601  18.831
  924   2HZ   LYS  13          2HZ       LYS  13   5.165   5.383  17.677
  925   3HZ   LYS  13          3HZ       LYS  13   6.744   5.901  18.013