*HEADER    CYTOKINE                                17-OCT-00   1G26              
*TITLE     THE SOLUTION STRUCTURE OF A WELL-FOLDED PEPTIDE BASED ON              
*TITLE    2 THE 31-RESIDUE AMINO-TERMINAL SUBDOMAIN OF HUMAN GRANULIN A          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN A;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-31);                         
*COMPND   5 SYNONYM: HGA;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*SOURCE   4 USING STANDARD FMOC CHEMISTRY AND OXIDIZED BY AIR IN                 
*SOURCE   5 SOLUTION, CYS17 AND CYS27 WERE BLOCKED WITH S-                       
*SOURCE   6 ACETAMIDOMETHYL GROUPS (ACM)                                         
*KEYWDS    GRANULIN/EPITHELIN PROTEIN REPEATS, BETA-HAIRPIN STACK                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, A.NG, W.VRANKEN, F.NI                                   
*REVDAT   1   01-NOV-00 1G26    0                                                
!unambiguous constraints for HGA 1-31 (D1V, K3H, S9I, Q20P)
!
assign (resid   3 and name HN   ) (resid   2 and name HG#  )    2.000    0.000    3.000
assign (resid   4 and name HN   ) (resid   3 and name HB#  )    2.000    0.000    3.000
assign (resid   4 and name HN   ) (resid   3 and name HA   )    2.000    0.000    0.500
assign (resid   5 and name HN   ) (resid   4 and name HB#  )    2.000    0.000    3.000
assign (resid   6 and name HN   ) (resid   5 and name HB#  )    2.000    0.000    1.000
assign (resid   7 and name HN   ) (resid   6 and name HB#  )    2.000    0.000    3.000
assign (resid   9 and name HN   ) (resid   8 and name HB   )    2.000    0.000    3.000
assign (resid   9 and name HN   ) (resid   8 and name HA   )    2.000    0.000    0.500
assign (resid  10 and name HN   ) (resid   9 and name HA   )    2.000    0.000    0.500
assign (resid  10 and name HN   ) (resid   9 and name HB   )    2.000    0.000    3.000
assign (resid  11 and name HD#  ) (resid  10 and name HA   )    2.000    0.000    1.000
assign (resid  11 and name HD#  ) (resid  10 and name HN   )    2.000    0.000    3.000
assign (resid  12 and name HN   ) (resid  11 and name HB#  )    2.000    0.000    3.000
assign (resid  13 and name HN   ) (resid  12 and name HB#  )    2.000    0.000    1.000
assign (resid  14 and name HN   ) (resid  13 and name HA#  )    2.000    0.000    3.000
assign (resid  14 and name HN   ) (resid  13 and name HN   )    2.000    0.000    1.000
assign (resid  15 and name HN   ) (resid  14 and name HD#  )    2.000    0.000    3.000
assign (resid  15 and name HN   ) (resid  14 and name HA   )    2.000    0.000    0.500
assign (resid  15 and name HN   ) (resid  14 and name HB#  )    2.000    0.000    1.000
assign (resid  16 and name HN   ) (resid  15 and name HA   )    2.000    0.000    1.000
assign (resid  16 and name HN   ) (resid  15 and name HB   )    2.000    0.000    3.000
assign (resid  18 and name HN   ) (resid  17 and name HA   )    2.000    0.000    0.500
assign (resid  19 and name HN   ) (resid  18 and name HA   )    2.000    0.000    1.000
assign (resid  19 and name HN   ) (resid  18 and name HB#  )    2.000    0.000    3.000
assign (resid  19 and name HN   ) (resid  18 and name HG#  )    2.000    0.000    3.000
assign (resid  18 and name HD#  ) (resid  19 and name HN   )    2.000    0.000    3.000
assign (resid  19 and name HN   ) (resid  20 and name HD#  )    2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  20 and name HD#  )    2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  20 and name HB#  )    2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  20 and name HG#  )    2.000    0.000    3.000
assign (resid  22 and name HN   ) (resid  21 and name HN   )    2.000    0.000    1.000
assign (resid  22 and name HN   ) (resid  21 and name HA   )    2.000    0.000    1.000
assign (resid  22 and name HN   ) (resid  21 and name HB#  )    2.000    0.000    3.000
assign (resid  22 and name HN   ) (resid  23 and name HN   )    2.000    0.000    1.000
assign (resid  22 and name HA#  ) (resid  23 and name HN   )    2.000    0.000    3.000
assign (resid  24 and name HN   ) (resid  23 and name HB#  )    2.000    0.000    1.000
assign (resid  25 and name HN   ) (resid  24 and name HE3  )    2.000    0.000    1.000
assign (resid  25 and name HN   ) (resid  24 and name HZ3  )    2.000    0.000    3.000
assign (resid  25 and name HN   ) (resid  24 and name HA   )    2.000    0.000    0.500
assign (resid  25 and name HN   ) (resid  24 and name HB#  )    2.000    0.000    1.000
assign (resid  26 and name HN   ) (resid  25 and name HA#  )    2.000    0.000    1.000
assign (resid  27 and name HN   ) (resid  26 and name HA   )    2.000    0.000    0.500
assign (resid  27 and name HN   ) (resid  26 and name HB#  )    2.000    0.000    3.000
assign (resid  27 and name HN   ) (resid  28 and name HD#  )    2.000    0.000    3.000
assign (resid  27 and name HA   ) (resid  28 and name HD#  )    2.000    0.000    0.500
assign (resid  27 and name HB#  ) (resid  28 and name HD#  )    2.000    0.000    3.000
assign (resid  29 and name HN   ) (resid  28 and name HA   )    2.000    0.000    1.000
assign (resid  29 and name HN   ) (resid  28 and name HB#  )    2.000    0.000    1.000
assign (resid  30 and name HN   ) (resid  29 and name HB#  )    2.000    0.000    3.000
assign (resid  30 and name HA   ) (resid  31 and name HN   )    2.000    0.000    1.000
assign (resid  27 and name HN   ) (resid  15 and name HN   )    2.000    0.000    1.000
assign (resid  27 and name HN   ) (resid  14 and name HD#  )    2.000    0.000    3.000
assign (resid  24 and name HE1  ) (resid  18 and name HE   )    2.000    0.000    3.000
assign (resid  27 and name HN   ) (resid  16 and name HA   )    2.000    0.000    3.000
assign (resid  27 and name HN   ) (resid  14 and name HB#  )    2.000    0.000    3.000
assign (resid  24 and name HE1  ) (resid  18 and name HD#  )    2.000    0.000    3.000
assign (resid  24 and name HE1  ) (resid   8 and name HG#  )    2.000    0.000    3.000
assign (resid  15 and name HN   ) (resid  29 and name HN   )    2.000    0.000    3.000
assign (resid  18 and name HN   ) (resid  24 and name HZ3  )    2.000    0.000    3.000
assign (resid  13 and name HN   ) (resid  14 and name HD#  )    2.000    0.000    3.000
assign (resid  19 and name HN   ) (resid  24 and name HE3  )    2.000    0.000    3.000
assign (resid  17 and name HN   ) (resid  26 and name HA   )    2.000    0.000    2.000
assign (resid  19 and name HN   ) (resid  24 and name HA   )    2.000    0.000    3.000
assign (resid  15 and name HN   ) (resid  28 and name HA   )    2.000    0.000    2.000
assign (resid  15 and name HN   ) (resid  27 and name HB#  )    2.000    0.000    3.000
assign (resid  13 and name HN   ) (resid  14 and name HB#  )    2.000    0.000    3.000
assign (resid  13 and name HN   ) (resid   2 and name HG#  )    2.000    0.000    3.000
assign (resid  29 and name HN   ) (resid  14 and name HA   )    2.000    0.000    2.000
assign (resid   5 and name HN   ) (resid   3 and name HA   )    2.000    0.000    3.000
assign (resid   5 and name HN   ) (resid   9 and name HA   )    2.000    0.000    2.000
assign (resid  14 and name HN   ) (resid  12 and name HA   )    2.000    0.000    2.000
assign (resid  31 and name HE2# ) (resid  29 and name HA   )    2.000    0.000    3.000
assign (resid   5 and name HN   ) (resid   3 and name HB#  )    2.000    0.000    3.000
assign (resid   6 and name HN   ) (resid   8 and name HG#  )    2.000    0.000    3.000
assign (resid  14 and name HN   ) (resid   2 and name HG#  )    2.000    0.000    3.000
assign (resid   5 and name HN   ) (resid   8 and name HG#  )    2.000    0.000    3.000
assign (resid  29 and name HD#  ) (resid  31 and name HN   )    2.000    0.000    3.000
assign (resid  24 and name HH2  ) (resid  18 and name HE   )    2.000    0.000    3.000
assign (resid  29 and name HD#  ) (resid  29 and name HE#  )    2.000    0.000    0.500
assign (resid  14 and name HD#  ) (resid  27 and name HA   )    2.000    0.000    3.000
assign (resid  24 and name HZ3  ) (resid  17 and name HA   )    2.000    0.000    3.000
assign (resid  24 and name HH2  ) (resid  17 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  26 and name HB#  )    2.000    0.000    3.000
assign (resid  29 and name HE#  ) (resid  31 and name HG#  )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  11 and name HG#  )    2.000    0.000    1.000
assign (resid  29 and name HD#  ) (resid  15 and name HG2# )    2.000    0.000    3.000
assign (resid  26 and name HA   ) (resid  16 and name HA   )    2.000    0.000    3.000
assign (resid  18 and name HA   ) (resid  19 and name HB#  )    2.000    0.000    3.000
assign (resid  14 and name HB#  ) (resid  26 and name HA   )    2.000    0.000    3.000
assign (resid  11 and name HD#  ) (resid  14 and name HB#  )    2.000    0.000    3.000
assign (resid  28 and name HB#  ) (resid  14 and name HA   )    2.000    0.000    3.000
assign (resid  11 and name HG#  ) (resid  14 and name HB#  )    2.000    0.000    3.000
assign (resid   2 and name HB   ) (resid  10 and name HB#  )    2.000    0.000    3.000
assign (resid  20 and name HG#  ) (resid  19 and name HB#  )    2.000    0.000    3.000
assign (resid  18 and name HB#  ) (resid  17 and name HA   )    2.000    0.000    3.000
assign (resid  18 and name HA   ) (resid  25 and name HN   )    2.000    0.000    2.000
assign (resid  15 and name HG2# ) (resid  14 and name HA   )    2.000    0.000    3.000
assign (resid  19 and name HD#  ) (resid  25 and name HA#  )    2.000    0.000    3.000
assign (resid  19 and name HD#  ) (resid  18 and name HA   )    2.000    0.000    3.000
assign (resid  15 and name HN   ) (resid  26 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  11 and name HD#  )    2.000    0.000    3.000
assign (resid   2 and name HN   ) (resid   1 and name HB   )    2.000    0.000    1.000
assign (resid   2 and name HN   ) (resid  12 and name HA   )    2.000    0.000    3.000
assign (resid  10 and name HN   ) (resid   2 and name HB   )    2.000    0.000    3.000
assign (resid   3 and name HN   ) (resid   1 and name HG#  )    2.000    0.000    3.000
assign (resid  24 and name HE3  ) (resid  18 and name HN   )    2.000    0.000    3.000
assign (resid   3 and name HB#  ) (resid   9 and name HA   )    2.000    0.000    3.000
assign (resid  10 and name HB#  ) (resid   2 and name HN   )    2.000    0.000    3.000
assign (resid  19 and name HD#  ) (resid  25 and name HN   )    2.000    0.000    3.000
assign (resid   9 and name HG1# ) (resid   2 and name HN   )    2.000    0.000    3.000
assign (resid   4 and name HB#  ) (resid  24 and name HB#  )    2.000    0.000    3.000
assign (resid  10 and name HN   ) (resid   2 and name HN   )    2.000    0.000    2.000
assign (resid   3 and name HA   ) (resid  10 and name HN   )    2.000    0.000    3.000
assign (resid  10 and name HN   ) (resid   2 and name HG#  )    2.000    0.000    3.000
assign (resid  14 and name HN   ) (resid  10 and name HB#  )    2.000    0.000    3.000
assign (resid  29 and name HN   ) (resid  15 and name HG2# )    2.000    0.000    3.000
assign (resid  24 and name HZ3  ) (resid  16 and name HA   )    2.000    0.000    3.000
assign (resid  24 and name HZ3  ) (resid  16 and name HB#  )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  28 and name HB#  )    2.000    0.000    3.000
assign (resid  24 and name HE3  ) (resid   8 and name HG#  )    2.000    0.000    3.000
assign (resid  24 and name HZ3  ) (resid  18 and name HG#  )    2.000    0.000    3.000
assign (resid  28 and name HD#  ) (resid  14 and name HD#  )    2.000    0.000    3.000
assign (resid  16 and name HB#  ) (resid  15 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HB#  ) (resid  15 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HB#  ) (resid  10 and name HB#  )    2.000    0.000    3.000
assign (resid  29 and name HB#  ) (resid  28 and name HA   )    2.000    0.000    3.000
assign (resid   3 and name HB#  ) (resid   2 and name HA   )    2.000    0.000    3.000
assign (resid   8 and name HG#  ) (resid  25 and name HN   )    2.000    0.000    3.000
assign (resid   8 and name HG#  ) (resid  26 and name HN   )    2.000    0.000    3.000
assign (resid   9 and name HB   ) (resid   3 and name HA   )    2.000    0.000    3.000
assign (resid   8 and name HG#  ) (resid  25 and name HA#  )    2.000    0.000    3.000
assign (resid   9 and name HG1# ) (resid   3 and name HA   )    2.000    0.000    3.000
assign (resid   2 and name HG#  ) (resid  10 and name HB#  )    2.000    0.000    3.000
assign (resid   9 and name HB   ) (resid   1 and name HB   )    2.000    0.000    3.000
assign (resid   9 and name HG1# ) (resid   1 and name HB   )    2.000    0.000    3.000
assign (resid   1 and name HG#  ) (resid   9 and name HG1# )    2.000    0.000    3.000
assign (resid   8 and name HG#  ) (resid  18 and name HG#  )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  10 and name HA   )    2.000    0.000    3.000
assign (resid  29 and name HD#  ) (resid  15 and name HB   )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  13 and name HA#  )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  11 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HD#  ) (resid  11 and name HB#  )    2.000    0.000    3.000
assign (resid  29 and name HE#  ) (resid  15 and name HG2# )    2.000    0.000    3.000
assign (resid  26 and name HA   ) (resid  14 and name HD#  )    2.000    0.000    3.000
assign (resid  14 and name HA   ) (resid  28 and name HA   )    2.000    0.000    1.000
assign (resid  24 and name HA   ) (resid  18 and name HA   )    2.000    0.000    2.000
assign (resid  27 and name HA   ) (resid  28 and name HB#  )    2.000    0.000    3.000
assign (resid  27 and name HA   ) (resid  28 and name HG#  )    2.000    0.000    3.000
assign (resid  24 and name HA   ) (resid  19 and name HB#  )    2.000    0.000    3.000
assign (resid  11 and name HA   ) (resid   1 and name HA   )    2.000    0.000    3.000
assign (resid  12 and name HA   ) (resid   2 and name HG#  )    2.000    0.000    1.000
assign (resid   1 and name HA   ) (resid   2 and name HG#  )    2.000    0.000    3.000
assign (resid  19 and name HD#  ) (resid  20 and name HD#  )    2.000    0.000    3.000
assign (resid  19 and name HB#  ) (resid  20 and name HD#  )    2.000    0.000    3.000
assign (resid   7 and name HB#  ) (resid   8 and name HG#  )    2.000    0.000    3.000
assign (resid   2 and name HB   ) (resid   1 and name HG#  )    2.000    0.000    3.000
assign (resid   1 and name HG#  ) (resid  11 and name HA   )    2.000    0.000    3.000
assign (resid  14 and name HB#  ) (resid  28 and name HA   )    2.000    0.000    3.000
assign (resid   1 and name HG#  ) (resid   9 and name HB   )    2.000    0.000    3.000
assign (resid  14 and name HB#  ) (resid  10 and name HA   )    2.000    0.000    3.000
assign (resid  12 and name HN   ) (resid  13 and name HN   )    2.000    0.000    2.000
assign (resid  12 and name HA   ) (resid  13 and name HN   )    2.000    0.000    2.000
assign (resid 4 and name HA ) (resid 16 and name HB# ) 2.000    0.000    3.000
assign (resid 10 and name HB# ) (resid 26 and name HA ) 2.000    0.000    3.000
assign (resid  19 and name HN   ) (resid  23 and name O    )    1.800    0.000    0.200
assign (resid  19 and name N    ) (resid  23 and name O    )    2.700    0.000    0.300
assign (resid  17 and name HN   ) (resid  25 and name O    )    1.800    0.000    0.200
assign (resid  17 and name N    ) (resid  25 and name O    )    2.700    0.000    0.300
assign (resid  25 and name HN   ) (resid  17 and name O    )    1.800    0.000    0.200
assign (resid  25 and name N    ) (resid  17 and name O    )    2.700    0.000    0.300
assign (resid  15 and name O    ) (resid  27 and name HN   )    1.800    0.000    0.200
assign (resid  15 and name O    ) (resid  27 and name N    )    2.700    0.000    0.300
assign (resid  15 and name HN   ) (resid  27 and name O    )    1.800    0.000    0.200
assign (resid  15 and name N    ) (resid  27 and name O    )    2.700    0.000    0.300
assign (resid  19 and name HN   ) (resid  23 and name HN   )    2.000    0.000    3.000
assign (resid  23 and name HN   ) (resid  19 and name HB#  )    2.000    0.000    1.000
assign (resid  23 and name HN   ) (resid  19 and name HD#  )    2.000    0.000    3.000
assign (resid  23 and name HN   ) (resid  21 and name HB#  )    2.000    0.000    3.000
assign (resid  23 and name HB#   ) (resid  19 and name HN  )    2.000    0.000    1.000
assign (resid  23 and name HB#   ) (resid  19 and name HD#  )    2.000    0.000    1.000
assign (resid  18 and name HD#   ) (resid  22 and name HA#  )    2.000    0.000    1.000
assign (resid 3 and name HA ) (resid 9 and name HD1# ) 2.000 0.000 3.000
assign (resid 3 and name HB# ) (resid 9 and name HD1# ) 2.000 0.000 3.000
assign (resid 3 and name HA ) (resid 9 and name HG2# ) 2.000 0.000 3.000
assign (resid 3 and name HA ) (resid 9 and name HA ) 2.000 0.000 1.000
assign (resid  10 and name HN   ) (resid   1 and name HB  )  2.000    0.000    3.000
assign (resid  24 and name HZ2  ) (resid  18 and name HE   ) 2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  19 and name HA   ) 2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  19 and name HB#  ) 2.000    0.000    3.000
assign (resid  22 and name HN   ) (resid  19 and name HD#  ) 2.000    0.000    3.000
assign (resid  21 and name HN   ) (resid  19 and name HD#  ) 2.000    0.000    3.000
assign (resid  24 and name HE3  ) (resid  18 and name HA   ) 2.000    0.000    3.000
assign (resid  24 and name HZ3  ) (resid  18 and name HA   ) 2.000    0.000    3.000
assign (resid  10 and name HB#  ) (resid  11 and name HG#  ) 2.000    0.000    3.000
assign (resid   6 and name HB#  ) (resid   5 and name HB#  ) 2.000    0.000    3.000
assign (resid   8 and name HG#  ) (resid  24 and name HD1  ) 2.000    0.000    3.000
assign (resid  11 and name HB#  ) (resid  10 and name HA   ) 2.000    0.000    3.000
assign (resid  24 and name HZ2   ) (resid  18 and name HG#  ) 2.000    0.000    3.000
assign (resid 24 and name HB#   ) (resid 8 and name HB     ) 2.000    0.000    3.000
assign (resid 21 and name HN    ) (resid 20 and name HA    ) 2.000    0.000    3.000
assign (resid 17 and name HN    ) (resid 27 and name HN    ) 2.000    0.000    3.000
assign (resid 25 and name HN    ) (resid 19 and name HN    ) 2.000    0.000    3.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL   1           H        VAL   1  -8.322   8.820  -0.729
    2    HA   VAL   1           HA       VAL   1  -6.848   6.936  -0.586
    3    HB   VAL   1           HB       VAL   1  -5.011   7.368  -2.118
    4   1HG1  VAL   1          1HG1      VAL   1  -7.063   7.353  -3.294
    5   2HG1  VAL   1          2HG1      VAL   1  -6.276   8.834  -3.841
    6   3HG1  VAL   1          3HG1      VAL   1  -7.554   8.910  -2.629
    7   1HG2  VAL   1          1HG2      VAL   1  -5.057  10.101  -2.633
    8   2HG2  VAL   1          2HG2      VAL   1  -3.819   9.250  -1.709
    9   3HG2  VAL   1          3HG2      VAL   1  -5.173  10.014  -0.876
   10    H    VAL   2           H        VAL   2  -5.078   6.023   0.570
   11    HA   VAL   2           HA       VAL   2  -3.991   7.753   2.740
   12    HB   VAL   2           HB       VAL   2  -3.917   4.747   2.336
   13   1HG1  VAL   2          1HG1      VAL   2  -2.407   6.157   4.042
   14   2HG1  VAL   2          2HG1      VAL   2  -3.096   4.596   4.487
   15   3HG1  VAL   2          3HG1      VAL   2  -3.883   6.086   5.004
   16   1HG2  VAL   2          1HG2      VAL   2  -5.771   5.870   4.325
   17   2HG2  VAL   2          2HG2      VAL   2  -6.039   4.599   3.133
   18   3HG2  VAL   2          3HG2      VAL   2  -6.181   6.293   2.663
   19    H    HIS   3           H        HIS   3  -2.404   8.790   1.247
   20    HA   HIS   3           HA       HIS   3  -0.486   7.510  -0.347
   21   1HB   HIS   3          2HB       HIS   3   0.916   9.552   0.336
   22   2HB   HIS   3          1HB       HIS   3  -0.684   9.889  -0.324
   23    HD1  HIS   3           HD1      HIS   3  -0.894   8.523   3.052
   24    HD2  HIS   3           HD2      HIS   3  -0.402  12.315   1.393
   25    HE1  HIS   3           HE1      HIS   3  -1.433  10.183   4.887
   26    H    CYS   4           H        CYS   4   0.148   5.507   0.700
   27    HA   CYS   4           HA       CYS   4   1.222   5.280   3.327
   28   1HB   CYS   4          2HB       CYS   4   1.721   3.769   0.743
   29   2HB   CYS   4          1HB       CYS   4   2.260   3.204   2.325
   30    H    ASP   5           H        ASP   5   2.542   6.654   0.437
   31    HA   ASP   5           HA       ASP   5   4.824   7.785   1.725
   32   1HB   ASP   5          2HB       ASP   5   5.124   5.107   1.488
   33   2HB   ASP   5          1HB       ASP   5   5.754   5.606  -0.082
   34    H    MET   6           H        MET   6   6.614   8.106  -0.292
   35    HA   MET   6           HA       MET   6   5.015   9.519  -2.347
   36   1HB   MET   6          2HB       MET   6   7.903   9.457  -1.462
   37   2HB   MET   6          1HB       MET   6   7.405  10.323  -2.917
   38   1HG   MET   6          2HG       MET   6   5.554  11.291  -1.253
   39   2HG   MET   6          1HG       MET   6   6.790  10.913  -0.054
   40   1HE   MET   6          1HE       MET   6   5.959  13.246   0.150
   41   2HE   MET   6          2HE       MET   6   5.912  14.371  -1.204
   42   3HE   MET   6          3HE       MET   6   7.233  14.457  -0.042
   43    H    GLU   7           H        GLU   7   5.752   6.431  -2.137
   44    HA   GLU   7           HA       GLU   7   6.549   6.195  -5.021
   45   1HB   GLU   7          2HB       GLU   7   7.633   5.034  -2.526
   46   2HB   GLU   7          1HB       GLU   7   7.418   3.880  -3.843
   47   1HG   GLU   7          2HG       GLU   7   9.459   4.640  -4.514
   48   2HG   GLU   7          1HG       GLU   7   8.524   5.977  -5.186
   49    H    VAL   8           H        VAL   8   4.069   5.795  -2.892
   50    HA   VAL   8           HA       VAL   8   2.606   3.988  -4.648
   51    HB   VAL   8           HB       VAL   8   4.174   2.502  -3.339
   52   1HG1  VAL   8          1HG1      VAL   8   3.883   2.246  -0.976
   53   2HG1  VAL   8          2HG1      VAL   8   2.431   3.247  -0.980
   54   3HG1  VAL   8          3HG1      VAL   8   4.008   3.981  -1.268
   55   1HG2  VAL   8          1HG2      VAL   8   2.574   0.936  -3.608
   56   2HG2  VAL   8          2HG2      VAL   8   1.392   2.228  -3.820
   57   3HG2  VAL   8          3HG2      VAL   8   1.689   1.560  -2.215
   58    H    ILE   9           H        ILE   9   0.351   3.872  -4.021
   59    HA   ILE   9           HA       ILE   9  -0.469   5.425  -1.617
   60    HB   ILE   9           HB       ILE   9  -0.253   7.007  -3.504
   61   1HG1  ILE   9          2HG1      ILE   9  -3.129   6.322  -2.807
   62   2HG1  ILE   9          1HG1      ILE   9  -2.060   7.362  -1.866
   63   1HG2  ILE   9          1HG2      ILE   9  -1.070   4.846  -5.032
   64   2HG2  ILE   9          2HG2      ILE   9  -0.940   6.509  -5.606
   65   3HG2  ILE   9          3HG2      ILE   9  -2.491   5.891  -5.038
   66   1HD1  ILE   9          1HD1      ILE   9  -3.735   8.463  -3.543
   67   2HD1  ILE   9          2HD1      ILE   9  -2.571   7.961  -4.768
   68   3HD1  ILE   9          3HD1      ILE   9  -2.077   9.060  -3.480
   69    H    CYS  10           H        CYS  10  -2.072   4.266  -0.624
   70    HA   CYS  10           HA       CYS  10  -3.837   2.544  -2.334
   71   1HB   CYS  10          2HB       CYS  10  -2.452   2.020   0.306
   72   2HB   CYS  10          1HB       CYS  10  -3.774   1.010  -0.281
   73    HA   PRO  11           HA       PRO  11  -6.987   4.839  -0.250
   74   1HB   PRO  11          2HB       PRO  11  -9.128   3.333  -1.047
   75   2HB   PRO  11          1HB       PRO  11  -8.305   4.490  -2.111
   76   1HG   PRO  11          2HG       PRO  11  -8.084   1.536  -2.002
   77   2HG   PRO  11          1HG       PRO  11  -8.027   2.622  -3.395
   78   1HD   PRO  11          2HD       PRO  11  -5.817   1.473  -2.237
   79   2HD   PRO  11          1HD       PRO  11  -5.786   2.976  -3.184
   80    H    ASP  12           H        ASP  12  -8.340   4.594   1.588
   81    HA   ASP  12           HA       ASP  12  -7.627   3.095   3.741
   82   1HB   ASP  12          2HB       ASP  12 -10.207   3.165   4.244
   83   2HB   ASP  12          1HB       ASP  12  -9.325   4.680   4.056
   84    H    GLY  13           H        GLY  13  -9.932   1.973   1.264
   85   1HA   GLY  13          2HA       GLY  13 -10.546  -0.524   2.478
   86   2HA   GLY  13          1HA       GLY  13 -10.730  -0.169   0.765
   87    H    TYR  14           H        TYR  14  -7.519   0.409   1.315
   88    HA   TYR  14           HA       TYR  14  -6.834  -2.461   0.770
   89   1HB   TYR  14          2HB       TYR  14  -5.877   0.130  -0.461
   90   2HB   TYR  14          1HB       TYR  14  -5.045  -1.407  -0.713
   91    HD1  TYR  14           HD1      TYR  14  -5.686  -2.717  -2.529
   92    HD2  TYR  14           HD2      TYR  14  -8.519   0.010  -0.796
   93    HE1  TYR  14           HE1      TYR  14  -7.345  -3.341  -4.264
   94    HE2  TYR  14           HE2      TYR  14 -10.179  -0.616  -2.532
   95    HH   TYR  14           HH       TYR  14  -9.624  -1.830  -5.253
   96    H    THR  15           H        THR  15  -4.752  -3.165   1.494
   97    HA   THR  15           HA       THR  15  -3.645  -1.554   3.760
   98    HB   THR  15           HB       THR  15  -3.016  -3.678   4.681
   99    HG1  THR  15           HG1      THR  15  -2.671  -5.385   3.470
  100   1HG2  THR  15          1HG2      THR  15  -5.442  -3.204   4.774
  101   2HG2  THR  15          2HG2      THR  15  -5.127  -4.936   4.669
  102   3HG2  THR  15          3HG2      THR  15  -5.658  -4.049   3.241
  103    H    CYS  16           H        CYS  16  -1.488  -0.926   3.671
  104    HA   CYS  16           HA       CYS  16  -0.039  -1.386   1.132
  105   1HB   CYS  16          2HB       CYS  16   0.050   0.464   3.470
  106   2HB   CYS  16          1HB       CYS  16   1.561   0.204   2.599
  107    H    CYS  17           H        CYS  17   1.890  -2.553   0.995
  108    HA   CYS  17           HA       CYS  17   2.959  -3.763   3.517
  109   1HB   CYS  17          2HB       CYS  17   1.424  -5.033   1.530
  110   2HB   CYS  17          1HB       CYS  17   3.084  -5.541   1.221
  111    HG   CYS  17           HG       CYS  17   1.463  -6.172   3.788
  112    H    ARG  18           H        ARG  18   5.233  -4.170   3.437
  113    HA   ARG  18           HA       ARG  18   6.647  -2.771   1.208
  114   1HB   ARG  18          2HB       ARG  18   6.836  -2.854   4.059
  115   2HB   ARG  18          1HB       ARG  18   8.334  -3.514   3.402
  116   1HG   ARG  18          2HG       ARG  18   7.686  -1.269   1.804
  117   2HG   ARG  18          1HG       ARG  18   7.467  -0.769   3.482
  118   1HD   ARG  18          2HD       ARG  18   9.895  -2.382   3.065
  119   2HD   ARG  18          1HD       ARG  18   9.903  -0.837   2.189
  120    HE   ARG  18           HE       ARG  18   8.987  -0.723   4.995
  121   1HH1  ARG  18          1HH2      ARG  18  11.995  -1.462   4.252
  122   2HH1  ARG  18          2HH2      ARG  18  12.726   0.080   4.552
  123   1HH2  ARG  18          2HH1      ARG  18   9.705   1.777   4.702
  124   2HH2  ARG  18          1HH1      ARG  18  11.428   1.914   4.808
  125    H    LEU  19           H        LEU  19   7.822  -3.990  -0.231
  126    HA   LEU  19           HA       LEU  19   7.852  -6.876  -0.088
  127   1HB   LEU  19          2HB       LEU  19   8.514  -4.723  -1.887
  128   2HB   LEU  19          1HB       LEU  19   9.822  -5.906  -1.888
  129    HG   LEU  19           HG       LEU  19   7.551  -7.491  -1.912
  130   1HD1  LEU  19          1HD1      LEU  19   5.831  -6.424  -2.901
  131   2HD1  LEU  19          2HD1      LEU  19   6.876  -5.838  -4.194
  132   3HD1  LEU  19          3HD1      LEU  19   6.724  -4.916  -2.698
  133   1HD2  LEU  19          1HD2      LEU  19   8.557  -8.307  -3.785
  134   2HD2  LEU  19          2HD2      LEU  19   9.832  -7.149  -3.405
  135   3HD2  LEU  19          3HD2      LEU  19   8.578  -6.729  -4.572
  136    HA   PRO  20           HA       PRO  20  11.597  -7.629   2.066
  137   1HB   PRO  20          2HB       PRO  20  12.740  -9.652   0.622
  138   2HB   PRO  20          1HB       PRO  20  11.296  -9.880   1.628
  139   1HG   PRO  20          2HG       PRO  20  11.520  -9.571  -1.318
  140   2HG   PRO  20          1HG       PRO  20  10.414 -10.574  -0.366
  141   1HD   PRO  20          2HD       PRO  20   9.727  -8.180  -1.526
  142   2HD   PRO  20          1HD       PRO  20   8.900  -8.889  -0.123
  143    H    SER  21           H        SER  21  11.644  -6.142  -0.902
  144    HA   SER  21           HA       SER  21  14.633  -5.869  -0.860
  145   1HB   SER  21          2HB       SER  21  12.863  -6.794  -2.857
  146   2HB   SER  21          1HB       SER  21  13.380  -5.193  -3.379
  147    HG   SER  21           HG       SER  21  14.794  -7.538  -3.154
  148    H    GLY  22           H        GLY  22  12.627  -4.217   0.588
  149   1HA   GLY  22          2HA       GLY  22  12.358  -1.926   1.039
  150   2HA   GLY  22          1HA       GLY  22  13.629  -1.615  -0.144
  151    H    ALA  23           H        ALA  23  10.722  -3.414  -0.949
  152    HA   ALA  23           HA       ALA  23   9.962  -1.191  -2.805
  153   1HB   ALA  23          1HB       ALA  23   8.581  -3.455  -3.557
  154   2HB   ALA  23          2HB       ALA  23  10.061  -4.134  -2.880
  155   3HB   ALA  23          3HB       ALA  23  10.149  -2.976  -4.209
  156    H    TRP  24           H        TRP  24   7.389  -1.631  -3.322
  157    HA   TRP  24           HA       TRP  24   5.958  -1.884  -0.707
  158   1HB   TRP  24          2HB       TRP  24   6.209   0.427  -2.580
  159   2HB   TRP  24          1HB       TRP  24   4.637   0.172  -1.821
  160    HD1  TRP  24           HD1      TRP  24   7.878   1.761  -1.210
  161    HE1  TRP  24           HE1      TRP  24   8.153   2.379   1.277
  162    HE3  TRP  24           HE3      TRP  24   4.015  -0.912   0.796
  163    HZ2  TRP  24           HZ2      TRP  24   6.902   1.815   3.786
  164    HZ3  TRP  24           HZ3      TRP  24   3.581  -0.855   3.236
  165    HH2  TRP  24           HH2      TRP  24   5.017   0.504   4.732
  166    H    GLY  25           H        GLY  25   3.811  -2.650  -0.921
  167   1HA   GLY  25          2HA       GLY  25   2.775  -3.154  -3.657
  168   2HA   GLY  25          1HA       GLY  25   2.977  -4.539  -2.583
  169    H    CYS  26           H        CYS  26   0.445  -3.589  -3.633
  170    HA   CYS  26           HA       CYS  26  -0.861  -2.648  -1.099
  171   1HB   CYS  26          2HB       CYS  26  -0.776  -1.272  -3.344
  172   2HB   CYS  26          1HB       CYS  26  -2.052  -2.382  -3.846
  173    H    CYS  27           H        CYS  27  -2.465  -3.955  -0.272
  174    HA   CYS  27           HA       CYS  27  -3.606  -6.095  -2.016
  175   1HB   CYS  27          2HB       CYS  27  -1.732  -6.345   0.174
  176   2HB   CYS  27          1HB       CYS  27  -3.238  -7.174   0.569
  177    HG   CYS  27           HG       CYS  27  -1.289  -7.974  -1.682
  178    HA   PRO  28           HA       PRO  28  -7.178  -4.382   0.035
  179   1HB   PRO  28          2HB       PRO  28  -9.031  -5.957  -1.216
  180   2HB   PRO  28          1HB       PRO  28  -8.272  -4.554  -1.994
  181   1HG   PRO  28          2HG       PRO  28  -7.670  -7.449  -2.310
  182   2HG   PRO  28          1HG       PRO  28  -7.670  -6.156  -3.519
  183   1HD   PRO  28          2HD       PRO  28  -5.406  -7.175  -2.373
  184   2HD   PRO  28          1HD       PRO  28  -5.530  -5.529  -3.035
  185    H    PHE  29           H        PHE  29  -8.935  -5.297   1.453
  186    HA   PHE  29           HA       PHE  29  -8.131  -7.945   2.618
  187   1HB   PHE  29          2HB       PHE  29  -8.022  -5.439   3.745
  188   2HB   PHE  29          1HB       PHE  29  -9.600  -6.004   4.291
  189    HD1  PHE  29           HD1      PHE  29  -9.779  -7.566   6.054
  190    HD2  PHE  29           HD2      PHE  29  -6.002  -6.990   4.092
  191    HE1  PHE  29           HE1      PHE  29  -8.678  -8.999   7.752
  192    HE2  PHE  29           HE2      PHE  29  -4.901  -8.423   5.790
  193    HZ   PHE  29           HZ       PHE  29  -6.239  -9.427   7.621
  194    H    THR  30           H        THR  30 -10.020  -7.839   0.509
  195    HA   THR  30           HA       THR  30 -12.666  -8.091   1.884
  196    HB   THR  30           HB       THR  30 -13.368  -8.093  -0.635
  197    HG1  THR  30           HG1      THR  30 -11.818  -7.794  -2.005
  198   1HG2  THR  30          1HG2      THR  30 -14.005  -6.089   0.196
  199   2HG2  THR  30          2HG2      THR  30 -12.518  -5.463  -0.517
  200   3HG2  THR  30          3HG2      THR  30 -12.547  -5.945   1.179
  201    H    GLN  31           H        GLN  31 -12.125 -10.255   2.732
  202    HA   GLN  31           HA       GLN  31 -11.966 -12.380   0.622
  203   1HB   GLN  31          2HB       GLN  31 -11.307 -12.568   3.574
  204   2HB   GLN  31          1HB       GLN  31 -10.829 -13.684   2.293
  205   1HG   GLN  31          2HG       GLN  31  -9.870 -11.251   1.383
  206   2HG   GLN  31          1HG       GLN  31  -9.586 -11.164   3.122
  207   1HE2  GLN  31          1HE2      GLN  31  -7.705 -12.182   3.837
  208   2HE2  GLN  31          2HE2      GLN  31  -6.862 -13.379   2.978
  Start of MODEL    2
    1    H    VAL   1           H        VAL   1  -7.800  10.653  -0.326
    2    HA   VAL   1           HA       VAL   1  -7.593   8.268  -0.097
    3    HB   VAL   1           HB       VAL   1  -4.928   8.360  -1.473
    4   1HG1  VAL   1          1HG1      VAL   1  -7.080   6.502  -2.284
    5   2HG1  VAL   1          2HG1      VAL   1  -6.559   6.352  -0.606
    6   3HG1  VAL   1          3HG1      VAL   1  -5.388   6.172  -1.913
    7   1HG2  VAL   1          1HG2      VAL   1  -6.444   8.144  -3.645
    8   2HG2  VAL   1          2HG2      VAL   1  -5.949   9.729  -3.053
    9   3HG2  VAL   1          3HG2      VAL   1  -7.563   9.117  -2.691
   10    H    VAL   2           H        VAL   2  -5.184   6.908   0.523
   11    HA   VAL   2           HA       VAL   2  -4.269   8.457   2.923
   12    HB   VAL   2           HB       VAL   2  -3.931   6.221   3.912
   13   1HG1  VAL   2          1HG1      VAL   2  -6.130   7.156   4.214
   14   2HG1  VAL   2          2HG1      VAL   2  -6.343   5.453   3.809
   15   3HG1  VAL   2          3HG1      VAL   2  -6.613   6.691   2.584
   16   1HG2  VAL   2          1HG2      VAL   2  -3.686   4.406   2.598
   17   2HG2  VAL   2          2HG2      VAL   2  -3.900   5.438   1.184
   18   3HG2  VAL   2          3HG2      VAL   2  -5.295   4.650   1.920
   19    H    HIS   3           H        HIS   3  -2.597   9.458   1.475
   20    HA   HIS   3           HA       HIS   3  -0.668   8.264  -0.093
   21   1HB   HIS   3          2HB       HIS   3  -0.887  10.575   1.704
   22   2HB   HIS   3          1HB       HIS   3   0.775  10.036   1.472
   23    HD1  HIS   3           HD1      HIS   3   0.827   9.183  -1.409
   24    HD2  HIS   3           HD2      HIS   3  -1.215  12.595  -0.153
   25    HE1  HIS   3           HE1      HIS   3   0.598  10.672  -3.445
   26    H    CYS   4           H        CYS   4   0.759   6.606   0.251
   27    HA   CYS   4           HA       CYS   4   1.353   5.797   3.061
   28   1HB   CYS   4          2HB       CYS   4   0.649   4.463   0.678
   29   2HB   CYS   4          1HB       CYS   4   2.340   4.052   0.966
   30    H    ASP   5           H        ASP   5   2.939   6.592  -0.028
   31    HA   ASP   5           HA       ASP   5   5.400   7.301   1.491
   32   1HB   ASP   5          2HB       ASP   5   5.326   5.473  -0.931
   33   2HB   ASP   5          1HB       ASP   5   6.758   5.925  -0.007
   34    H    MET   6           H        MET   6   7.038   7.915  -0.638
   35    HA   MET   6           HA       MET   6   6.069  10.437  -1.548
   36   1HB   MET   6          2HB       MET   6   8.450   9.579  -1.324
   37   2HB   MET   6          1HB       MET   6   8.187   8.680  -2.819
   38   1HG   MET   6          2HG       MET   6   7.345  11.453  -3.086
   39   2HG   MET   6          1HG       MET   6   9.040  11.335  -2.615
   40   1HE   MET   6          1HE       MET   6  10.729   9.222  -5.165
   41   2HE   MET   6          2HE       MET   6   9.654   8.245  -4.170
   42   3HE   MET   6          3HE       MET   6  10.517   9.603  -3.451
   43    H    GLU   7           H        GLU   7   6.428   7.346  -3.330
   44    HA   GLU   7           HA       GLU   7   4.386   8.358  -5.283
   45   1HB   GLU   7          2HB       GLU   7   5.703   7.267  -7.018
   46   2HB   GLU   7          1HB       GLU   7   6.775   8.307  -6.079
   47   1HG   GLU   7          2HG       GLU   7   6.684   5.761  -4.790
   48   2HG   GLU   7          1HG       GLU   7   6.986   5.487  -6.506
   49    H    VAL   8           H        VAL   8   3.224   7.035  -3.315
   50    HA   VAL   8           HA       VAL   8   2.329   4.533  -4.510
   51    HB   VAL   8           HB       VAL   8   4.534   4.629  -2.595
   52   1HG1  VAL   8          1HG1      VAL   8   3.748   2.630  -1.273
   53   2HG1  VAL   8          2HG1      VAL   8   2.126   2.921  -1.906
   54   3HG1  VAL   8          3HG1      VAL   8   2.903   4.129  -0.882
   55   1HG2  VAL   8          1HG2      VAL   8   3.539   3.051  -4.785
   56   2HG2  VAL   8          2HG2      VAL   8   3.939   1.989  -3.435
   57   3HG2  VAL   8          3HG2      VAL   8   5.161   3.077  -4.092
   58    H    ILE   9           H        ILE   9   0.161   4.635  -4.068
   59    HA   ILE   9           HA       ILE   9  -0.690   5.567  -1.343
   60    HB   ILE   9           HB       ILE   9  -1.830   6.230  -4.076
   61   1HG1  ILE   9          2HG1      ILE   9  -1.185   8.466  -2.362
   62   2HG1  ILE   9          1HG1      ILE   9   0.225   7.419  -2.536
   63   1HG2  ILE   9          1HG2      ILE   9  -2.769   7.085  -1.321
   64   2HG2  ILE   9          2HG2      ILE   9  -3.590   5.913  -2.353
   65   3HG2  ILE   9          3HG2      ILE   9  -3.461   7.598  -2.860
   66   1HD1  ILE   9          1HD1      ILE   9   0.566   8.404  -4.537
   67   2HD1  ILE   9          2HD1      ILE   9  -1.017   9.180  -4.499
   68   3HD1  ILE   9          3HD1      ILE   9  -0.857   7.532  -5.106
   69    H    CYS  10           H        CYS  10  -2.878   4.759  -0.752
   70    HA   CYS  10           HA       CYS  10  -3.750   2.325  -2.264
   71   1HB   CYS  10          2HB       CYS  10  -2.296   2.345   0.109
   72   2HB   CYS  10          1HB       CYS  10  -3.960   2.138   0.654
   73    HA   PRO  11           HA       PRO  11  -7.622   4.386  -1.724
   74   1HB   PRO  11          2HB       PRO  11  -9.252   2.351  -2.556
   75   2HB   PRO  11          1HB       PRO  11  -8.306   3.365  -3.664
   76   1HG   PRO  11          2HG       PRO  11  -7.752   0.628  -2.670
   77   2HG   PRO  11          1HG       PRO  11  -7.460   1.324  -4.266
   78   1HD   PRO  11          2HD       PRO  11  -5.511   0.956  -2.384
   79   2HD   PRO  11          1HD       PRO  11  -5.440   2.197  -3.655
   80    H    ASP  12           H        ASP  12  -6.667   3.666   0.712
   81    HA   ASP  12           HA       ASP  12  -7.321   3.062   2.893
   82   1HB   ASP  12          2HB       ASP  12  -9.082   4.609   2.421
   83   2HB   ASP  12          1HB       ASP  12  -9.924   3.441   1.403
   84    H    GLY  13           H        GLY  13  -9.994   1.449   1.205
   85   1HA   GLY  13          2HA       GLY  13 -10.244  -0.836   2.659
   86   2HA   GLY  13          1HA       GLY  13 -10.426  -0.864   0.907
   87    H    TYR  14           H        TYR  14  -7.549  -0.136   0.512
   88    HA   TYR  14           HA       TYR  14  -6.486  -2.887   0.774
   89   1HB   TYR  14          2HB       TYR  14  -5.660  -0.354  -0.662
   90   2HB   TYR  14          1HB       TYR  14  -4.680  -1.822  -0.690
   91    HD1  TYR  14           HD1      TYR  14  -5.083  -3.414  -2.348
   92    HD2  TYR  14           HD2      TYR  14  -8.210  -0.690  -1.230
   93    HE1  TYR  14           HE1      TYR  14  -6.533  -4.349  -4.130
   94    HE2  TYR  14           HE2      TYR  14  -9.663  -1.628  -3.011
   95    HH   TYR  14           HH       TYR  14  -9.465  -2.840  -5.092
   96    H    THR  15           H        THR  15  -4.243  -3.186   1.565
   97    HA   THR  15           HA       THR  15  -3.525  -1.200   3.698
   98    HB   THR  15           HB       THR  15  -4.297  -3.189   4.744
   99    HG1  THR  15           HG1      THR  15  -2.206  -4.245   5.334
  100   1HG2  THR  15          1HG2      THR  15  -3.163  -5.428   3.922
  101   2HG2  THR  15          2HG2      THR  15  -2.942  -4.520   2.426
  102   3HG2  THR  15          3HG2      THR  15  -4.564  -4.777   3.071
  103    H    CYS  16           H        CYS  16  -1.316  -0.659   3.869
  104    HA   CYS  16           HA       CYS  16   0.320  -1.099   1.482
  105   1HB   CYS  16          2HB       CYS  16   0.292   0.547   3.941
  106   2HB   CYS  16          1HB       CYS  16   1.900   0.163   3.326
  107    H    CYS  17           H        CYS  17   2.117  -2.447   1.324
  108    HA   CYS  17           HA       CYS  17   3.122  -3.825   3.759
  109   1HB   CYS  17          2HB       CYS  17   1.272  -4.913   1.844
  110   2HB   CYS  17          1HB       CYS  17   2.797  -5.789   1.722
  111    HG   CYS  17           HG       CYS  17   1.171  -5.527   4.385
  112    H    ARG  18           H        ARG  18   5.315  -3.513   3.602
  113    HA   ARG  18           HA       ARG  18   6.650  -2.899   1.103
  114   1HB   ARG  18          2HB       ARG  18   7.232  -3.177   3.979
  115   2HB   ARG  18          1HB       ARG  18   8.592  -3.584   2.934
  116   1HG   ARG  18          2HG       ARG  18   7.419  -1.248   1.842
  117   2HG   ARG  18          1HG       ARG  18   7.539  -0.981   3.581
  118   1HD   ARG  18          2HD       ARG  18   9.953  -1.751   3.449
  119   2HD   ARG  18          1HD       ARG  18   9.790  -1.718   1.682
  120    HE   ARG  18           HE       ARG  18   9.223   0.696   3.365
  121   1HH1  ARG  18          1HH2      ARG  18   9.329  -0.364   0.218
  122   2HH1  ARG  18          2HH2      ARG  18  10.431   0.842  -0.356
  123   1HH2  ARG  18          2HH1      ARG  18  11.180   2.042   2.810
  124   2HH2  ARG  18          1HH1      ARG  18  11.479   2.205   1.112
  125    H    LEU  19           H        LEU  19   8.100  -4.262  -0.078
  126    HA   LEU  19           HA       LEU  19   7.495  -7.148   0.115
  127   1HB   LEU  19          2HB       LEU  19   8.348  -5.189  -1.851
  128   2HB   LEU  19          1HB       LEU  19   9.374  -6.624  -1.912
  129    HG   LEU  19           HG       LEU  19   6.869  -7.727  -1.645
  130   1HD1  LEU  19          1HD1      LEU  19   5.284  -6.274  -2.312
  131   2HD1  LEU  19          2HD1      LEU  19   6.117  -6.085  -3.855
  132   3HD1  LEU  19          3HD1      LEU  19   6.510  -5.020  -2.505
  133   1HD2  LEU  19          1HD2      LEU  19   7.229  -7.595  -4.385
  134   2HD2  LEU  19          2HD2      LEU  19   7.987  -8.779  -3.319
  135   3HD2  LEU  19          3HD2      LEU  19   8.858  -7.313  -3.769
  136    HA   PRO  20           HA       PRO  20  11.293  -8.390   1.930
  137   1HB   PRO  20          2HB       PRO  20  12.060 -10.526   0.403
  138   2HB   PRO  20          1HB       PRO  20  10.690 -10.588   1.528
  139   1HG   PRO  20          2HG       PRO  20  10.696 -10.258  -1.427
  140   2HG   PRO  20          1HG       PRO  20   9.583 -11.168  -0.395
  141   1HD   PRO  20          2HD       PRO  20   9.010  -8.712  -1.452
  142   2HD   PRO  20          1HD       PRO  20   8.294  -9.332   0.052
  143    H    SER  21           H        SER  21  11.230  -7.062  -1.158
  144    HA   SER  21           HA       SER  21  14.211  -7.146  -1.435
  145   1HB   SER  21          2HB       SER  21  11.877  -6.814  -3.310
  146   2HB   SER  21          1HB       SER  21  13.479  -6.262  -3.791
  147    HG   SER  21           HG       SER  21  14.091  -8.269  -3.996
  148    H    GLY  22           H        GLY  22  12.508  -5.358   0.340
  149   1HA   GLY  22          2HA       GLY  22  12.616  -3.120   1.040
  150   2HA   GLY  22          1HA       GLY  22  13.956  -2.915  -0.088
  151    H    ALA  23           H        ALA  23  10.486  -3.689  -0.551
  152    HA   ALA  23           HA       ALA  23  10.264  -1.227  -2.240
  153   1HB   ALA  23          1HB       ALA  23   8.988  -3.830  -3.038
  154   2HB   ALA  23          2HB       ALA  23  10.693  -3.555  -3.394
  155   3HB   ALA  23          3HB       ALA  23   9.468  -2.474  -4.057
  156    H    TRP  24           H        TRP  24   7.685  -1.284  -2.953
  157    HA   TRP  24           HA       TRP  24   6.169  -1.640  -0.385
  158   1HB   TRP  24          2HB       TRP  24   6.455   0.561  -2.359
  159   2HB   TRP  24          1HB       TRP  24   4.828   0.295  -1.734
  160    HD1  TRP  24           HD1      TRP  24   7.654   2.323  -0.995
  161    HE1  TRP  24           HE1      TRP  24   7.785   2.970   1.497
  162    HE3  TRP  24           HE3      TRP  24   4.398  -1.083   0.970
  163    HZ2  TRP  24           HZ2      TRP  24   6.654   2.151   3.995
  164    HZ3  TRP  24           HZ3      TRP  24   3.942  -1.127   3.406
  165    HH2  TRP  24           HH2      TRP  24   5.064   0.484   4.919
  166    H    GLY  25           H        GLY  25   4.034  -2.458  -0.578
  167   1HA   GLY  25          2HA       GLY  25   2.948  -3.041  -3.257
  168   2HA   GLY  25          1HA       GLY  25   3.341  -4.451  -2.271
  169    H    CYS  26           H        CYS  26   0.787  -2.651  -3.138
  170    HA   CYS  26           HA       CYS  26  -0.499  -2.529  -0.456
  171   1HB   CYS  26          2HB       CYS  26  -0.699  -1.192  -3.042
  172   2HB   CYS  26          1HB       CYS  26  -2.282  -1.704  -2.456
  173    H    CYS  27           H        CYS  27  -1.917  -4.123   0.175
  174    HA   CYS  27           HA       CYS  27  -2.978  -5.967  -1.946
  175   1HB   CYS  27          2HB       CYS  27  -1.868  -6.512   0.821
  176   2HB   CYS  27          1HB       CYS  27  -2.731  -7.723  -0.127
  177    HG   CYS  27           HG       CYS  27   0.015  -7.632  -0.483
  178    HA   PRO  28           HA       PRO  28  -6.935  -5.135  -0.224
  179   1HB   PRO  28          2HB       PRO  28  -8.232  -7.448  -0.902
  180   2HB   PRO  28          1HB       PRO  28  -7.815  -6.193  -2.087
  181   1HG   PRO  28          2HG       PRO  28  -6.453  -8.775  -1.503
  182   2HG   PRO  28          1HG       PRO  28  -6.721  -7.964  -3.054
  183   1HD   PRO  28          2HD       PRO  28  -4.340  -7.927  -1.716
  184   2HD   PRO  28          1HD       PRO  28  -4.864  -6.648  -2.834
  185    H    PHE  29           H        PHE  29  -8.228  -5.699   1.627
  186    HA   PHE  29           HA       PHE  29  -7.067  -7.876   3.339
  187   1HB   PHE  29          2HB       PHE  29  -6.987  -5.185   3.761
  188   2HB   PHE  29          1HB       PHE  29  -8.493  -5.595   4.584
  189    HD1  PHE  29           HD1      PHE  29  -5.259  -7.443   4.149
  190    HD2  PHE  29           HD2      PHE  29  -8.102  -5.744   6.883
  191    HE1  PHE  29           HE1      PHE  29  -3.966  -8.355   6.058
  192    HE2  PHE  29           HE2      PHE  29  -6.810  -6.657   8.793
  193    HZ   PHE  29           HZ       PHE  29  -4.742  -7.962   8.381
  194    H    THR  30           H        THR  30  -8.571  -9.130   4.542
  195    HA   THR  30           HA       THR  30 -11.474  -8.644   3.995
  196    HB   THR  30           HB       THR  30 -10.509 -11.448   4.023
  197    HG1  THR  30           HG1      THR  30  -9.787  -9.569   2.036
  198   1HG2  THR  30          1HG2      THR  30 -12.413 -11.748   2.845
  199   2HG2  THR  30          2HG2      THR  30 -12.007 -10.457   1.715
  200   3HG2  THR  30          3HG2      THR  30 -12.790 -10.073   3.248
  201    H    GLN  31           H        GLN  31 -11.401  -7.861   6.282
  202    HA   GLN  31           HA       GLN  31 -11.487 -10.155   8.207
  203   1HB   GLN  31          2HB       GLN  31  -9.525  -8.162   8.016
  204   2HB   GLN  31          1HB       GLN  31 -10.552  -7.643   9.353
  205   1HG   GLN  31          2HG       GLN  31  -9.041  -9.051  10.443
  206   2HG   GLN  31          1HG       GLN  31 -10.375 -10.154  10.100
  207   1HE2  GLN  31          1HE2      GLN  31  -7.387  -8.952   8.450
  208   2HE2  GLN  31          2HE2      GLN  31  -6.982 -10.458   7.780
  Start of MODEL    3
    1    H    VAL   1           H        VAL   1  -4.821   9.659  -1.077
    2    HA   VAL   1           HA       VAL   1  -6.531   9.876   0.729
    3    HB   VAL   1           HB       VAL   1  -6.676   6.911   0.107
    4   1HG1  VAL   1          1HG1      VAL   1  -8.803   7.597   1.774
    5   2HG1  VAL   1          2HG1      VAL   1  -7.416   8.413   2.497
    6   3HG1  VAL   1          3HG1      VAL   1  -7.379   6.669   2.241
    7   1HG2  VAL   1          1HG2      VAL   1  -7.936   9.157  -1.027
    8   2HG2  VAL   1          2HG2      VAL   1  -9.145   8.435   0.034
    9   3HG2  VAL   1          3HG2      VAL   1  -8.400   7.469  -1.239
   10    H    VAL   2           H        VAL   2  -4.910   6.699   1.016
   11    HA   VAL   2           HA       VAL   2  -3.593   7.663   3.506
   12    HB   VAL   2           HB       VAL   2  -3.764   4.893   2.277
   13   1HG1  VAL   2          1HG1      VAL   2  -2.630   6.040   4.752
   14   2HG1  VAL   2          2HG1      VAL   2  -2.238   4.528   3.930
   15   3HG1  VAL   2          3HG1      VAL   2  -3.638   4.614   4.999
   16   1HG2  VAL   2          1HG2      VAL   2  -5.460   5.267   4.564
   17   2HG2  VAL   2          2HG2      VAL   2  -5.921   4.817   2.922
   18   3HG2  VAL   2          3HG2      VAL   2  -5.830   6.517   3.376
   19    H    HIS   3           H        HIS   3  -2.151   8.999   1.960
   20    HA   HIS   3           HA       HIS   3  -0.349   8.046   0.083
   21   1HB   HIS   3          2HB       HIS   3  -0.312  10.129   2.228
   22   2HB   HIS   3          1HB       HIS   3   1.192   9.814   1.361
   23    HD1  HIS   3           HD1      HIS   3   0.855   9.800  -1.395
   24    HD2  HIS   3           HD2      HIS   3  -1.973  11.867   0.866
   25    HE1  HIS   3           HE1      HIS   3  -0.323  11.377  -2.988
   26    H    CYS   4           H        CYS   4   0.705   6.081   0.316
   27    HA   CYS   4           HA       CYS   4   1.917   5.325   2.908
   28   1HB   CYS   4          2HB       CYS   4   0.640   3.843   1.194
   29   2HB   CYS   4          1HB       CYS   4   2.136   3.883   0.262
   30    H    ASP   5           H        ASP   5   2.837   6.630  -0.202
   31    HA   ASP   5           HA       ASP   5   5.580   7.116   0.772
   32   1HB   ASP   5          2HB       ASP   5   5.228   4.743  -0.331
   33   2HB   ASP   5          1HB       ASP   5   5.260   5.659  -1.839
   34    H    MET   6           H        MET   6   6.293   7.370  -2.218
   35    HA   MET   6           HA       MET   6   5.455  10.161  -2.498
   36   1HB   MET   6          2HB       MET   6   6.932   8.317  -4.402
   37   2HB   MET   6          1HB       MET   6   6.953  10.080  -4.420
   38   1HG   MET   6          2HG       MET   6   7.856   9.928  -2.017
   39   2HG   MET   6          1HG       MET   6   8.146   8.222  -2.359
   40   1HE   MET   6          1HE       MET   6  10.863   7.935  -4.751
   41   2HE   MET   6          2HE       MET   6   9.220   8.011  -5.384
   42   3HE   MET   6          3HE       MET   6   9.523   7.247  -3.825
   43    H    GLU   7           H        GLU   7   4.978   7.177  -4.423
   44    HA   GLU   7           HA       GLU   7   2.529   8.452  -5.605
   45   1HB   GLU   7          2HB       GLU   7   4.856   6.966  -6.725
   46   2HB   GLU   7          1HB       GLU   7   3.285   6.634  -7.454
   47   1HG   GLU   7          2HG       GLU   7   3.053   8.778  -8.274
   48   2HG   GLU   7          1HG       GLU   7   4.014   9.491  -6.978
   49    H    VAL   8           H        VAL   8   3.607   6.061  -3.546
   50    HA   VAL   8           HA       VAL   8   1.692   3.967  -4.379
   51    HB   VAL   8           HB       VAL   8   3.543   4.217  -1.984
   52   1HG1  VAL   8          1HG1      VAL   8   2.741   1.595  -3.134
   53   2HG1  VAL   8          2HG1      VAL   8   1.493   2.478  -2.254
   54   3HG1  VAL   8          3HG1      VAL   8   3.004   2.054  -1.451
   55   1HG2  VAL   8          1HG2      VAL   8   4.065   2.563  -4.447
   56   2HG2  VAL   8          2HG2      VAL   8   5.215   3.162  -3.251
   57   3HG2  VAL   8          3HG2      VAL   8   4.501   4.272  -4.422
   58    H    ILE   9           H        ILE   9  -0.189   5.559  -4.014
   59    HA   ILE   9           HA       ILE   9  -0.863   5.770  -1.101
   60    HB   ILE   9           HB       ILE   9  -2.080   7.731  -1.671
   61   1HG1  ILE   9          2HG1      ILE   9  -1.846   6.847  -4.567
   62   2HG1  ILE   9          1HG1      ILE   9  -3.312   6.790  -3.587
   63   1HG2  ILE   9          1HG2      ILE   9  -0.478   9.089  -2.955
   64   2HG2  ILE   9          2HG2      ILE   9   0.302   7.622  -3.548
   65   3HG2  ILE   9          3HG2      ILE   9   0.372   8.025  -1.832
   66   1HD1  ILE   9          1HD1      ILE   9  -2.193   9.022  -5.047
   67   2HD1  ILE   9          2HD1      ILE   9  -2.335   9.419  -3.334
   68   3HD1  ILE   9          3HD1      ILE   9  -3.755   8.898  -4.239
   69    H    CYS  10           H        CYS  10  -2.500   4.461  -0.406
   70    HA   CYS  10           HA       CYS  10  -4.266   3.185  -2.462
   71   1HB   CYS  10          2HB       CYS  10  -2.886   2.358   0.013
   72   2HB   CYS  10          1HB       CYS  10  -4.544   1.775  -0.116
   73    HA   PRO  11           HA       PRO  11  -7.685   5.209  -0.572
   74   1HB   PRO  11          2HB       PRO  11  -9.704   3.514  -1.283
   75   2HB   PRO  11          1HB       PRO  11  -8.888   4.587  -2.435
   76   1HG   PRO  11          2HG       PRO  11  -8.625   1.678  -2.062
   77   2HG   PRO  11          1HG       PRO  11  -8.393   2.659  -3.512
   78   1HD   PRO  11          2HD       PRO  11  -6.370   1.608  -1.870
   79   2HD   PRO  11          1HD       PRO  11  -6.172   2.833  -3.139
   80    H    ASP  12           H        ASP  12  -6.200   3.554   1.293
   81    HA   ASP  12           HA       ASP  12  -6.521   2.712   3.478
   82   1HB   ASP  12          2HB       ASP  12  -8.706   4.357   2.814
   83   2HB   ASP  12          1HB       ASP  12  -9.418   2.903   3.513
   84    H    GLY  13           H        GLY  13  -9.368   1.732   1.524
   85   1HA   GLY  13          2HA       GLY  13  -9.911  -0.733   2.640
   86   2HA   GLY  13          1HA       GLY  13 -10.078  -0.430   0.911
   87    H    TYR  14           H        TYR  14  -7.091   0.114   0.755
   88    HA   TYR  14           HA       TYR  14  -6.306  -2.737   0.452
   89   1HB   TYR  14          2HB       TYR  14  -5.214  -0.075  -0.487
   90   2HB   TYR  14          1HB       TYR  14  -4.393  -1.603  -0.800
   91    HD1  TYR  14           HD1      TYR  14  -5.059  -2.993  -2.580
   92    HD2  TYR  14           HD2      TYR  14  -7.641   0.175  -1.258
   93    HE1  TYR  14           HE1      TYR  14  -6.555  -3.402  -4.519
   94    HE2  TYR  14           HE2      TYR  14  -9.138  -0.233  -3.196
   95    HH   TYR  14           HH       TYR  14  -9.671  -1.848  -4.797
   96    H    THR  15           H        THR  15  -4.071  -3.350   1.121
   97    HA   THR  15           HA       THR  15  -3.248  -1.941   3.635
   98    HB   THR  15           HB       THR  15  -3.988  -4.144   4.147
   99    HG1  THR  15           HG1      THR  15  -1.952  -3.737   5.023
  100   1HG2  THR  15          1HG2      THR  15  -2.585  -4.875   1.584
  101   2HG2  THR  15          2HG2      THR  15  -4.261  -5.168   2.049
  102   3HG2  THR  15          3HG2      THR  15  -2.963  -6.103   2.791
  103    H    CYS  16           H        CYS  16  -1.221  -1.073   3.630
  104    HA   CYS  16           HA       CYS  16   0.466  -1.388   1.225
  105   1HB   CYS  16          2HB       CYS  16  -0.234   0.737   2.649
  106   2HB   CYS  16          1HB       CYS  16   1.147   0.262   3.636
  107    H    CYS  17           H        CYS  17   1.590  -3.351   1.366
  108    HA   CYS  17           HA       CYS  17   3.109  -3.874   3.897
  109   1HB   CYS  17          2HB       CYS  17   1.555  -5.470   2.000
  110   2HB   CYS  17          1HB       CYS  17   3.153  -6.156   2.293
  111    HG   CYS  17           HG       CYS  17   2.502  -5.909   4.941
  112    H    ARG  18           H        ARG  18   5.349  -3.974   3.757
  113    HA   ARG  18           HA       ARG  18   6.575  -3.234   1.162
  114   1HB   ARG  18          2HB       ARG  18   7.118  -2.970   4.022
  115   2HB   ARG  18          1HB       ARG  18   8.546  -3.485   3.124
  116   1HG   ARG  18          2HG       ARG  18   7.558  -1.548   1.466
  117   2HG   ARG  18          1HG       ARG  18   7.105  -0.908   3.045
  118   1HD   ARG  18          2HD       ARG  18   9.897  -1.736   2.175
  119   2HD   ARG  18          1HD       ARG  18   9.339  -0.087   2.521
  120    HE   ARG  18           HE       ARG  18   8.995  -0.789   4.876
  121   1HH1  ARG  18          1HH2      ARG  18  11.540  -2.039   3.085
  122   2HH1  ARG  18          2HH2      ARG  18  11.969  -3.272   4.222
  123   1HH2  ARG  18          2HH1      ARG  18   9.191  -2.760   6.231
  124   2HH2  ARG  18          1HH1      ARG  18  10.641  -3.679   6.003
  125    H    LEU  19           H        LEU  19   7.672  -4.702  -0.086
  126    HA   LEU  19           HA       LEU  19   7.611  -7.520   0.501
  127   1HB   LEU  19          2HB       LEU  19   8.218  -5.724  -1.630
  128   2HB   LEU  19          1HB       LEU  19   9.597  -6.808  -1.449
  129    HG   LEU  19           HG       LEU  19   7.375  -8.481  -1.182
  130   1HD1  LEU  19          1HD1      LEU  19   6.153  -7.958  -3.348
  131   2HD1  LEU  19          2HD1      LEU  19   6.951  -6.385  -3.328
  132   3HD1  LEU  19          3HD1      LEU  19   5.845  -6.830  -2.029
  133   1HD2  LEU  19          1HD2      LEU  19   9.709  -8.330  -2.654
  134   2HD2  LEU  19          2HD2      LEU  19   8.469  -8.255  -3.905
  135   3HD2  LEU  19          3HD2      LEU  19   8.513  -9.619  -2.787
  136    HA   PRO  20           HA       PRO  20  11.337  -8.133   2.738
  137   1HB   PRO  20          2HB       PRO  20  12.407 -10.354   1.541
  138   2HB   PRO  20          1HB       PRO  20  10.980 -10.416   2.595
  139   1HG   PRO  20          2HG       PRO  20  11.130 -10.408  -0.384
  140   2HG   PRO  20          1HG       PRO  20  10.082 -11.351   0.690
  141   1HD   PRO  20          2HD       PRO  20   9.222  -9.145  -0.624
  142   2HD   PRO  20          1HD       PRO  20   8.587  -9.627   0.966
  143    H    SER  21           H        SER  21  11.370  -7.255  -0.519
  144    HA   SER  21           HA       SER  21  14.347  -7.110  -0.662
  145   1HB   SER  21          2HB       SER  21  12.171  -7.581  -2.482
  146   2HB   SER  21          1HB       SER  21  13.060  -6.158  -3.016
  147    HG   SER  21           HG       SER  21  14.339  -8.559  -2.231
  148    H    GLY  22           H        GLY  22  12.549  -5.311   0.995
  149   1HA   GLY  22          2HA       GLY  22  12.535  -3.031   1.561
  150   2HA   GLY  22          1HA       GLY  22  13.877  -2.826   0.436
  151    H    ALA  23           H        ALA  23  10.849  -4.206  -0.638
  152    HA   ALA  23           HA       ALA  23  10.407  -1.751  -2.295
  153   1HB   ALA  23          1HB       ALA  23   9.083  -4.366  -2.855
  154   2HB   ALA  23          2HB       ALA  23  10.831  -4.285  -3.082
  155   3HB   ALA  23          3HB       ALA  23   9.774  -3.196  -3.981
  156    H    TRP  24           H        TRP  24   7.995  -1.435  -2.839
  157    HA   TRP  24           HA       TRP  24   6.372  -1.816  -0.346
  158   1HB   TRP  24          2HB       TRP  24   6.823   0.352  -2.311
  159   2HB   TRP  24          1HB       TRP  24   5.143   0.137  -1.822
  160    HD1  TRP  24           HD1      TRP  24   8.052   2.001  -0.836
  161    HE1  TRP  24           HE1      TRP  24   7.953   2.704   1.643
  162    HE3  TRP  24           HE3      TRP  24   4.320  -1.075   0.807
  163    HZ2  TRP  24           HZ2      TRP  24   6.485   2.049   4.009
  164    HZ3  TRP  24           HZ3      TRP  24   3.591  -1.014   3.175
  165    HH2  TRP  24           HH2      TRP  24   4.669   0.543   4.776
  166    H    GLY  25           H        GLY  25   4.167  -2.515  -0.611
  167   1HA   GLY  25          2HA       GLY  25   3.229  -3.171  -3.332
  168   2HA   GLY  25          1HA       GLY  25   3.476  -4.544  -2.255
  169    H    CYS  26           H        CYS  26   1.264  -2.177  -3.230
  170    HA   CYS  26           HA       CYS  26  -0.339  -2.283  -0.727
  171   1HB   CYS  26          2HB       CYS  26   0.155  -0.366  -2.646
  172   2HB   CYS  26          1HB       CYS  26  -1.420  -0.982  -3.147
  173    H    CYS  27           H        CYS  27  -1.663  -4.055  -0.510
  174    HA   CYS  27           HA       CYS  27  -3.039  -5.058  -2.988
  175   1HB   CYS  27          2HB       CYS  27  -2.735  -7.333  -1.994
  176   2HB   CYS  27          1HB       CYS  27  -1.199  -6.535  -2.330
  177    HG   CYS  27           HG       CYS  27  -0.971  -5.990   0.216
  178    HA   PRO  28           HA       PRO  28  -6.722  -4.667  -0.626
  179   1HB   PRO  28          2HB       PRO  28  -8.276  -6.551  -1.860
  180   2HB   PRO  28          1HB       PRO  28  -7.867  -4.997  -2.611
  181   1HG   PRO  28          2HG       PRO  28  -6.688  -7.688  -3.072
  182   2HG   PRO  28          1HG       PRO  28  -7.034  -6.394  -4.229
  183   1HD   PRO  28          2HD       PRO  28  -4.538  -6.923  -3.253
  184   2HD   PRO  28          1HD       PRO  28  -5.058  -5.320  -3.820
  185    H    PHE  29           H        PHE  29  -7.815  -5.728   1.119
  186    HA   PHE  29           HA       PHE  29  -7.125  -8.568   1.679
  187   1HB   PHE  29          2HB       PHE  29  -5.359  -7.080   2.632
  188   2HB   PHE  29          1HB       PHE  29  -6.601  -6.254   3.572
  189    HD1  PHE  29           HD1      PHE  29  -4.890  -9.506   3.042
  190    HD2  PHE  29           HD2      PHE  29  -7.511  -7.223   5.564
  191    HE1  PHE  29           HE1      PHE  29  -4.708 -11.244   4.802
  192    HE2  PHE  29           HE2      PHE  29  -7.331  -8.960   7.324
  193    HZ   PHE  29           HZ       PHE  29  -5.930 -10.971   6.943
  194    H    THR  30           H        THR  30  -9.628  -8.022   0.980
  195    HA   THR  30           HA       THR  30 -11.151  -7.589   3.529
  196    HB   THR  30           HB       THR  30 -11.418  -5.935   1.651
  197    HG1  THR  30           HG1      THR  30 -13.818  -6.384   1.533
  198   1HG2  THR  30          1HG2      THR  30 -12.151  -6.551  -0.452
  199   2HG2  THR  30          2HG2      THR  30 -12.963  -8.001   0.141
  200   3HG2  THR  30          3HG2      THR  30 -11.208  -7.980  -0.031
  201    H    GLN  31           H        GLN  31 -10.528 -10.042   3.715
  202    HA   GLN  31           HA       GLN  31 -12.878 -11.616   3.032
  203   1HB   GLN  31          2HB       GLN  31 -11.683 -13.163   1.504
  204   2HB   GLN  31          1HB       GLN  31 -11.711 -11.522   0.857
  205   1HG   GLN  31          2HG       GLN  31  -9.467 -11.768   0.641
  206   2HG   GLN  31          1HG       GLN  31  -9.416 -11.508   2.385
  207   1HE2  GLN  31          1HE2      GLN  31  -7.707 -12.987   2.877
  208   2HE2  GLN  31          2HE2      GLN  31  -7.835 -14.660   2.625
  Start of MODEL    4
    1    H    VAL   1           H        VAL   1  -7.140   9.524   2.121
    2    HA   VAL   1           HA       VAL   1  -7.043   7.276   0.722
    3    HB   VAL   1           HB       VAL   1  -5.155   7.448  -0.927
    4   1HG1  VAL   1          1HG1      VAL   1  -7.676   9.030  -1.069
    5   2HG1  VAL   1          2HG1      VAL   1  -7.131   7.689  -2.079
    6   3HG1  VAL   1          3HG1      VAL   1  -6.483   9.310  -2.339
    7   1HG2  VAL   1          1HG2      VAL   1  -5.169  10.250   0.160
    8   2HG2  VAL   1          2HG2      VAL   1  -4.678   9.968  -1.511
    9   3HG2  VAL   1          3HG2      VAL   1  -3.795   9.201  -0.191
   10    H    VAL   2           H        VAL   2  -4.761   6.017   0.770
   11    HA   VAL   2           HA       VAL   2  -3.511   6.713   3.400
   12    HB   VAL   2           HB       VAL   2  -3.542   4.092   1.871
   13   1HG1  VAL   2          1HG1      VAL   2  -1.777   4.429   3.628
   14   2HG1  VAL   2          2HG1      VAL   2  -2.897   3.114   3.988
   15   3HG1  VAL   2          3HG1      VAL   2  -3.068   4.668   4.806
   16   1HG2  VAL   2          1HG2      VAL   2  -5.291   3.542   3.706
   17   2HG2  VAL   2          2HG2      VAL   2  -5.823   4.514   2.333
   18   3HG2  VAL   2          3HG2      VAL   2  -5.457   5.291   3.873
   19    H    HIS   3           H        HIS   3  -1.756   8.030   2.799
   20    HA   HIS   3           HA       HIS   3  -0.069   7.378   0.490
   21   1HB   HIS   3          2HB       HIS   3  -0.257   9.459   2.633
   22   2HB   HIS   3          1HB       HIS   3   1.279   9.285   1.785
   23    HD1  HIS   3           HD1      HIS   3   1.248   9.679  -0.831
   24    HD2  HIS   3           HD2      HIS   3  -2.320  10.614   1.112
   25    HE1  HIS   3           HE1      HIS   3  -0.124  11.042  -2.468
   26    H    CYS   4           H        CYS   4   0.751   5.247   1.059
   27    HA   CYS   4           HA       CYS   4   2.237   4.896   3.573
   28   1HB   CYS   4          2HB       CYS   4   1.583   3.239   1.133
   29   2HB   CYS   4          1HB       CYS   4   2.695   2.644   2.367
   30    H    ASP   5           H        ASP   5   2.986   6.531   0.822
   31    HA   ASP   5           HA       ASP   5   5.852   6.426   1.328
   32   1HB   ASP   5          2HB       ASP   5   4.871   4.355  -0.144
   33   2HB   ASP   5          1HB       ASP   5   5.230   5.515  -1.423
   34    H    MET   6           H        MET   6   6.823   7.386  -1.060
   35    HA   MET   6           HA       MET   6   5.444  10.012  -1.259
   36   1HB   MET   6          2HB       MET   6   8.124   9.018  -2.276
   37   2HB   MET   6          1HB       MET   6   7.596  10.698  -2.234
   38   1HG   MET   6          2HG       MET   6   7.348  10.498   0.254
   39   2HG   MET   6          1HG       MET   6   8.044   8.881   0.151
   40   1HE   MET   6          1HE       MET   6  10.027   8.538   0.914
   41   2HE   MET   6          2HE       MET   6  11.553   9.323   0.515
   42   3HE   MET   6          3HE       MET   6  10.674   8.439  -0.730
   43    H    GLU   7           H        GLU   7   6.200   7.161  -3.189
   44    HA   GLU   7           HA       GLU   7   5.107   8.522  -5.623
   45   1HB   GLU   7          2HB       GLU   7   6.894   6.134  -5.123
   46   2HB   GLU   7          1HB       GLU   7   6.202   6.466  -6.712
   47   1HG   GLU   7          2HG       GLU   7   7.361   8.872  -5.576
   48   2HG   GLU   7          1HG       GLU   7   8.554   7.573  -5.643
   49    H    VAL   8           H        VAL   8   4.925   5.405  -3.848
   50    HA   VAL   8           HA       VAL   8   2.469   4.691  -5.333
   51    HB   VAL   8           HB       VAL   8   4.601   3.282  -4.449
   52   1HG1  VAL   8          1HG1      VAL   8   3.688   3.801  -2.044
   53   2HG1  VAL   8          2HG1      VAL   8   4.272   2.180  -2.418
   54   3HG1  VAL   8          3HG1      VAL   8   2.540   2.513  -2.403
   55   1HG2  VAL   8          1HG2      VAL   8   2.910   2.433  -5.984
   56   2HG2  VAL   8          2HG2      VAL   8   1.746   2.288  -4.666
   57   3HG2  VAL   8          3HG2      VAL   8   3.173   1.253  -4.701
   58    H    ILE   9           H        ILE   9   0.410   4.773  -4.448
   59    HA   ILE   9           HA       ILE   9   0.063   5.215  -1.533
   60    HB   ILE   9           HB       ILE   9  -1.015   7.330  -1.819
   61   1HG1  ILE   9          2HG1      ILE   9  -0.962   6.642  -4.770
   62   2HG1  ILE   9          1HG1      ILE   9  -2.377   6.909  -3.750
   63   1HG2  ILE   9          1HG2      ILE   9   0.714   8.692  -2.848
   64   2HG2  ILE   9          2HG2      ILE   9   1.311   7.307  -3.764
   65   3HG2  ILE   9          3HG2      ILE   9   1.483   7.344  -2.010
   66   1HD1  ILE   9          1HD1      ILE   9  -2.322   9.062  -4.426
   67   2HD1  ILE   9          2HD1      ILE   9  -0.735   8.856  -5.166
   68   3HD1  ILE   9          3HD1      ILE   9  -0.864   9.240  -3.450
   69    H    CYS  10           H        CYS  10  -1.751   4.113  -0.878
   70    HA   CYS  10           HA       CYS  10  -3.793   3.398  -2.960
   71   1HB   CYS  10          2HB       CYS  10  -2.451   1.867  -0.737
   72   2HB   CYS  10          1HB       CYS  10  -4.030   1.354  -1.336
   73    HA   PRO  11           HA       PRO  11  -6.697   5.066  -0.111
   74   1HB   PRO  11          2HB       PRO  11  -8.953   3.693  -0.820
   75   2HB   PRO  11          1HB       PRO  11  -8.234   4.969  -1.820
   76   1HG   PRO  11          2HG       PRO  11  -8.239   2.065  -2.212
   77   2HG   PRO  11          1HG       PRO  11  -8.031   3.363  -3.388
   78   1HD   PRO  11          2HD       PRO  11  -6.001   1.733  -2.251
   79   2HD   PRO  11          1HD       PRO  11  -5.788   3.133  -3.324
   80    H    ASP  12           H        ASP  12  -8.415   4.337   1.577
   81    HA   ASP  12           HA       ASP  12  -7.214   2.554   3.456
   82   1HB   ASP  12          2HB       ASP  12  -9.140   4.486   3.440
   83   2HB   ASP  12          1HB       ASP  12 -10.131   3.036   3.606
   84    H    GLY  13           H        GLY  13  -9.327   1.926   0.764
   85   1HA   GLY  13          2HA       GLY  13 -10.523  -0.501   1.747
   86   2HA   GLY  13          1HA       GLY  13 -10.400  -0.040   0.051
   87    H    TYR  14           H        TYR  14  -7.306   0.175   1.067
   88    HA   TYR  14           HA       TYR  14  -6.752  -2.740   0.629
   89   1HB   TYR  14          2HB       TYR  14  -5.500  -0.295  -0.647
   90   2HB   TYR  14          1HB       TYR  14  -4.853  -1.927  -0.817
   91    HD1  TYR  14           HD1      TYR  14  -6.022  -3.624  -2.117
   92    HD2  TYR  14           HD2      TYR  14  -7.630   0.328  -1.652
   93    HE1  TYR  14           HE1      TYR  14  -7.626  -4.064  -3.958
   94    HE2  TYR  14           HE2      TYR  14  -9.236  -0.108  -3.496
   95    HH   TYR  14           HH       TYR  14 -10.204  -1.814  -4.724
   96    H    THR  15           H        THR  15  -4.318  -3.145   1.091
   97    HA   THR  15           HA       THR  15  -3.421  -1.517   3.444
   98    HB   THR  15           HB       THR  15  -2.990  -3.530   4.631
   99    HG1  THR  15           HG1      THR  15  -2.959  -4.596   2.058
  100   1HG2  THR  15          1HG2      THR  15  -5.321  -4.681   3.249
  101   2HG2  THR  15          2HG2      THR  15  -5.525  -2.996   3.728
  102   3HG2  THR  15          3HG2      THR  15  -5.131  -4.216   4.940
  103    H    CYS  16           H        CYS  16  -1.473  -0.617   2.920
  104    HA   CYS  16           HA       CYS  16   0.133  -1.659   0.699
  105   1HB   CYS  16          2HB       CYS  16   1.493   0.338   1.210
  106   2HB   CYS  16          1HB       CYS  16  -0.221   0.750   1.154
  107    H    CYS  17           H        CYS  17   1.678  -3.198   0.953
  108    HA   CYS  17           HA       CYS  17   2.917  -3.546   3.665
  109   1HB   CYS  17          2HB       CYS  17   1.795  -5.371   1.612
  110   2HB   CYS  17          1HB       CYS  17   3.294  -5.915   2.367
  111    HG   CYS  17           HG       CYS  17   1.108  -6.622   3.789
  112    H    ARG  18           H        ARG  18   5.099  -3.139   3.705
  113    HA   ARG  18           HA       ARG  18   6.529  -2.550   1.211
  114   1HB   ARG  18          2HB       ARG  18   6.604  -1.709   3.836
  115   2HB   ARG  18          1HB       ARG  18   8.026  -2.749   3.740
  116   1HG   ARG  18          2HG       ARG  18   8.040  -1.250   1.360
  117   2HG   ARG  18          1HG       ARG  18   7.629  -0.100   2.633
  118   1HD   ARG  18          2HD       ARG  18   9.626  -1.456   3.877
  119   2HD   ARG  18          1HD       ARG  18  10.160  -1.590   2.189
  120    HE   ARG  18           HE       ARG  18   9.349   1.061   3.310
  121   1HH1  ARG  18          1HH2      ARG  18  12.149   0.520   3.965
  122   2HH1  ARG  18          2HH2      ARG  18  13.005   1.083   2.569
  123   1HH2  ARG  18          2HH1      ARG  18  10.196   1.119   0.534
  124   2HH2  ARG  18          1HH1      ARG  18  11.899   1.422   0.625
  125    H    LEU  19           H        LEU  19   7.585  -4.106   0.058
  126    HA   LEU  19           HA       LEU  19   7.877  -6.829   0.954
  127   1HB   LEU  19          2HB       LEU  19   8.191  -5.226  -1.386
  128   2HB   LEU  19          1HB       LEU  19   9.680  -6.146  -1.170
  129    HG   LEU  19           HG       LEU  19   7.873  -8.087  -0.647
  130   1HD1  LEU  19          1HD1      LEU  19   6.279  -5.992  -1.583
  131   2HD1  LEU  19          2HD1      LEU  19   5.810  -7.688  -1.472
  132   3HD1  LEU  19          3HD1      LEU  19   6.467  -7.050  -2.980
  133   1HD2  LEU  19          1HD2      LEU  19   9.757  -8.032  -2.338
  134   2HD2  LEU  19          2HD2      LEU  19   8.636  -7.268  -3.465
  135   3HD2  LEU  19          3HD2      LEU  19   8.320  -8.900  -2.877
  136    HA   PRO  20           HA       PRO  20  11.784  -6.791   2.948
  137   1HB   PRO  20          2HB       PRO  20  13.061  -8.966   1.885
  138   2HB   PRO  20          1HB       PRO  20  11.694  -9.103   3.011
  139   1HG   PRO  20          2HG       PRO  20  11.743  -9.379   0.048
  140   2HG   PRO  20          1HG       PRO  20  10.820 -10.290   1.252
  141   1HD   PRO  20          2HD       PRO  20   9.757  -8.292  -0.275
  142   2HD   PRO  20          1HD       PRO  20   9.142  -8.740   1.331
  143    H    SER  21           H        SER  21  11.733  -6.665  -0.537
  144    HA   SER  21           HA       SER  21  14.602  -5.870  -0.658
  145   1HB   SER  21          2HB       SER  21  12.668  -6.116  -2.959
  146   2HB   SER  21          1HB       SER  21  14.413  -6.354  -2.964
  147    HG   SER  21           HG       SER  21  13.688  -8.377  -2.871
  148    H    GLY  22           H        GLY  22  12.501  -4.128   0.559
  149   1HA   GLY  22          2HA       GLY  22  12.013  -1.832   0.558
  150   2HA   GLY  22          1HA       GLY  22  13.250  -1.648  -0.688
  151    H    ALA  23           H        ALA  23  10.284  -3.615  -0.818
  152    HA   ALA  23           HA       ALA  23   9.456  -1.988  -3.198
  153   1HB   ALA  23          1HB       ALA  23   9.550  -4.023  -4.183
  154   2HB   ALA  23          2HB       ALA  23   8.142  -4.463  -3.216
  155   3HB   ALA  23          3HB       ALA  23   9.764  -4.826  -2.627
  156    H    TRP  24           H        TRP  24   6.876  -2.654  -3.497
  157    HA   TRP  24           HA       TRP  24   5.522  -2.276  -0.858
  158   1HB   TRP  24          2HB       TRP  24   5.669  -0.477  -3.233
  159   2HB   TRP  24          1HB       TRP  24   4.118  -0.581  -2.401
  160    HD1  TRP  24           HD1      TRP  24   7.158   1.351  -2.328
  161    HE1  TRP  24           HE1      TRP  24   7.515   2.497  -0.047
  162    HE3  TRP  24           HE3      TRP  24   3.783  -1.241   0.497
  163    HZ2  TRP  24           HZ2      TRP  24   6.503   2.335   2.625
  164    HZ3  TRP  24           HZ3      TRP  24   3.500  -0.724   2.906
  165    HH2  TRP  24           HH2      TRP  24   4.855   1.058   3.971
  166    H    GLY  25           H        GLY  25   3.389  -3.120  -0.823
  167   1HA   GLY  25          2HA       GLY  25   2.323  -4.272  -3.347
  168   2HA   GLY  25          1HA       GLY  25   2.564  -5.358  -1.977
  169    H    CYS  26           H        CYS  26   0.323  -3.360  -3.464
  170    HA   CYS  26           HA       CYS  26  -1.128  -2.660  -0.973
  171   1HB   CYS  26          2HB       CYS  26  -1.187  -1.975  -3.875
  172   2HB   CYS  26          1HB       CYS  26  -2.714  -1.849  -2.997
  173    H    CYS  27           H        CYS  27  -2.164  -4.458  -0.125
  174    HA   CYS  27           HA       CYS  27  -3.784  -6.118  -2.030
  175   1HB   CYS  27          2HB       CYS  27  -2.458  -6.816   0.612
  176   2HB   CYS  27          1HB       CYS  27  -3.399  -7.935  -0.376
  177    HG   CYS  27           HG       CYS  27  -1.273  -8.369  -1.569
  178    HA   PRO  28           HA       PRO  28  -7.240  -4.620   0.278
  179   1HB   PRO  28          2HB       PRO  28  -9.090  -6.432  -0.600
  180   2HB   PRO  28          1HB       PRO  28  -8.510  -5.081  -1.595
  181   1HG   PRO  28          2HG       PRO  28  -7.731  -7.952  -1.663
  182   2HG   PRO  28          1HG       PRO  28  -7.949  -6.808  -2.996
  183   1HD   PRO  28          2HD       PRO  28  -5.510  -7.538  -2.009
  184   2HD   PRO  28          1HD       PRO  28  -5.828  -5.981  -2.805
  185    H    PHE  29           H        PHE  29  -8.350  -5.188   2.202
  186    HA   PHE  29           HA       PHE  29  -7.226  -7.351   3.773
  187   1HB   PHE  29          2HB       PHE  29  -8.306  -4.983   4.338
  188   2HB   PHE  29          1HB       PHE  29  -9.779  -5.944   4.466
  189    HD1  PHE  29           HD1      PHE  29 -10.277  -6.909   6.526
  190    HD2  PHE  29           HD2      PHE  29  -6.179  -6.084   5.536
  191    HE1  PHE  29           HE1      PHE  29  -9.577  -7.687   8.775
  192    HE2  PHE  29           HE2      PHE  29  -5.480  -6.861   7.786
  193    HZ   PHE  29           HZ       PHE  29  -7.178  -7.661   9.404
  194    H    THR  30           H        THR  30  -7.784  -9.449   3.266
  195    HA   THR  30           HA       THR  30 -10.701 -10.052   2.920
  196    HB   THR  30           HB       THR  30  -9.727 -10.072   0.727
  197    HG1  THR  30           HG1      THR  30  -9.646 -12.719   1.745
  198   1HG2  THR  30          1HG2      THR  30  -7.511 -11.802   1.854
  199   2HG2  THR  30          2HG2      THR  30  -7.362 -10.070   1.556
  200   3HG2  THR  30          3HG2      THR  30  -7.629 -11.178   0.209
  201    H    GLN  31           H        GLN  31  -9.921 -10.423   5.386
  202    HA   GLN  31           HA       GLN  31  -8.778 -13.170   5.667
  203   1HB   GLN  31          2HB       GLN  31  -8.886 -10.654   7.247
  204   2HB   GLN  31          1HB       GLN  31  -8.953 -12.151   8.178
  205   1HG   GLN  31          2HG       GLN  31  -6.668 -11.970   8.027
  206   2HG   GLN  31          1HG       GLN  31  -6.956 -12.795   6.494
  207   1HE2  GLN  31          1HE2      GLN  31  -4.689 -11.308   6.476
  208   2HE2  GLN  31          2HE2      GLN  31  -4.899  -9.845   5.644
  Start of MODEL    5
    1    H    VAL   1           H        VAL   1  -7.709   9.091   0.000
    2    HA   VAL   1           HA       VAL   1  -6.934   6.419  -0.699
    3    HB   VAL   1           HB       VAL   1  -4.837   7.175  -1.992
    4   1HG1  VAL   1          1HG1      VAL   1  -6.095   6.271  -3.629
    5   2HG1  VAL   1          2HG1      VAL   1  -6.746   7.881  -3.942
    6   3HG1  VAL   1          3HG1      VAL   1  -7.582   6.790  -2.835
    7   1HG2  VAL   1          1HG2      VAL   1  -4.989   9.563  -1.414
    8   2HG2  VAL   1          2HG2      VAL   1  -6.550   9.670  -2.228
    9   3HG2  VAL   1          3HG2      VAL   1  -5.090   9.350  -3.162
   10    H    VAL   2           H        VAL   2  -4.606   5.985   0.114
   11    HA   VAL   2           HA       VAL   2  -3.975   7.838   2.391
   12    HB   VAL   2           HB       VAL   2  -4.979   5.789   3.179
   13   1HG1  VAL   2          1HG1      VAL   2  -3.519   3.637   2.496
   14   2HG1  VAL   2          2HG1      VAL   2  -3.273   4.611   1.046
   15   3HG1  VAL   2          3HG1      VAL   2  -4.907   4.176   1.550
   16   1HG2  VAL   2          1HG2      VAL   2  -2.371   4.754   3.761
   17   2HG2  VAL   2          2HG2      VAL   2  -3.427   5.703   4.808
   18   3HG2  VAL   2          3HG2      VAL   2  -2.278   6.515   3.745
   19    H    HIS   3           H        HIS   3  -2.348   8.920   1.083
   20    HA   HIS   3           HA       HIS   3  -0.299   7.650  -0.416
   21   1HB   HIS   3          2HB       HIS   3   0.854   9.835  -0.073
   22   2HB   HIS   3          1HB       HIS   3  -0.845  10.039  -0.496
   23    HD1  HIS   3           HD1      HIS   3  -0.900   8.883   2.861
   24    HD2  HIS   3           HD2      HIS   3  -0.037  12.567   1.111
   25    HE1  HIS   3           HE1      HIS   3  -1.133  10.618   4.691
   26    H    CYS   4           H        CYS   4   0.266   5.775   1.007
   27    HA   CYS   4           HA       CYS   4   1.319   5.931   3.620
   28   1HB   CYS   4          2HB       CYS   4   0.928   4.026   1.676
   29   2HB   CYS   4          1HB       CYS   4   2.689   4.099   1.751
   30    H    ASP   5           H        ASP   5   2.772   6.795   0.539
   31    HA   ASP   5           HA       ASP   5   5.079   7.979   1.994
   32   1HB   ASP   5          2HB       ASP   5   5.061   5.562   0.339
   33   2HB   ASP   5          1HB       ASP   5   6.235   6.751  -0.222
   34    H    MET   6           H        MET   6   6.564   8.716  -0.263
   35    HA   MET   6           HA       MET   6   4.714  10.680  -1.528
   36   1HB   MET   6          2HB       MET   6   7.108  10.945  -0.293
   37   2HB   MET   6          1HB       MET   6   7.657  10.730  -1.957
   38   1HG   MET   6          2HG       MET   6   6.694  12.694  -2.677
   39   2HG   MET   6          1HG       MET   6   5.390  12.611  -1.493
   40   1HE   MET   6          1HE       MET   6   8.080  14.224  -2.755
   41   2HE   MET   6          2HE       MET   6   9.396  13.503  -1.831
   42   3HE   MET   6          3HE       MET   6   8.905  15.163  -1.503
   43    H    GLU   7           H        GLU   7   5.367   7.667  -2.304
   44    HA   GLU   7           HA       GLU   7   5.656   8.269  -5.223
   45   1HB   GLU   7          2HB       GLU   7   7.203   6.349  -5.372
   46   2HB   GLU   7          1HB       GLU   7   7.815   7.553  -4.237
   47   1HG   GLU   7          2HG       GLU   7   6.988   6.265  -2.348
   48   2HG   GLU   7          1HG       GLU   7   6.213   5.108  -3.432
   49    H    VAL   8           H        VAL   8   4.510   6.060  -2.692
   50    HA   VAL   8           HA       VAL   8   2.765   4.735  -4.742
   51    HB   VAL   8           HB       VAL   8   4.535   3.372  -3.580
   52   1HG1  VAL   8          1HG1      VAL   8   3.265   2.956  -1.090
   53   2HG1  VAL   8          2HG1      VAL   8   3.368   4.704  -1.297
   54   3HG1  VAL   8          3HG1      VAL   8   4.829   3.720  -1.375
   55   1HG2  VAL   8          1HG2      VAL   8   2.907   1.571  -2.814
   56   2HG2  VAL   8          2HG2      VAL   8   2.616   2.198  -4.436
   57   3HG2  VAL   8          3HG2      VAL   8   1.612   2.736  -3.090
   58    H    ILE   9           H        ILE   9   0.598   4.086  -3.904
   59    HA   ILE   9           HA       ILE   9  -0.374   5.416  -1.453
   60    HB   ILE   9           HB       ILE   9  -0.301   7.156  -3.256
   61   1HG1  ILE   9          2HG1      ILE   9  -3.009   6.224  -2.265
   62   2HG1  ILE   9          1HG1      ILE   9  -1.967   7.449  -1.542
   63   1HG2  ILE   9          1HG2      ILE   9  -2.592   5.981  -4.685
   64   2HG2  ILE   9          2HG2      ILE   9  -1.086   5.087  -4.893
   65   3HG2  ILE   9          3HG2      ILE   9  -1.166   6.795  -5.327
   66   1HD1  ILE   9          1HD1      ILE   9  -3.931   7.745  -3.652
   67   2HD1  ILE   9          2HD1      ILE   9  -2.342   8.277  -4.202
   68   3HD1  ILE   9          3HD1      ILE   9  -3.062   8.994  -2.761
   69    H    CYS  10           H        CYS  10  -2.058   4.199  -0.616
   70    HA   CYS  10           HA       CYS  10  -3.244   2.103  -2.396
   71   1HB   CYS  10          2HB       CYS  10  -3.147   2.307   0.630
   72   2HB   CYS  10          1HB       CYS  10  -3.625   0.895  -0.308
   73    HA   PRO  11           HA       PRO  11  -7.035   4.324  -1.971
   74   1HB   PRO  11          2HB       PRO  11  -8.733   2.428  -2.958
   75   2HB   PRO  11          1HB       PRO  11  -7.644   3.382  -3.982
   76   1HG   PRO  11          2HG       PRO  11  -7.435   0.573  -3.117
   77   2HG   PRO  11          1HG       PRO  11  -6.827   1.354  -4.579
   78   1HD   PRO  11          2HD       PRO  11  -5.319   0.670  -2.316
   79   2HD   PRO  11          1HD       PRO  11  -4.809   1.736  -3.643
   80    H    ASP  12           H        ASP  12  -6.104   2.939   0.451
   81    HA   ASP  12           HA       ASP  12  -7.029   2.386   2.554
   82   1HB   ASP  12          2HB       ASP  12  -8.811   4.015   1.248
   83   2HB   ASP  12          1HB       ASP  12  -9.809   2.601   1.587
   84    H    GLY  13           H        GLY  13  -9.224   1.118   0.011
   85   1HA   GLY  13          2HA       GLY  13 -10.184  -1.161   1.202
   86   2HA   GLY  13          1HA       GLY  13  -9.744  -1.129  -0.506
   87    H    TYR  14           H        TYR  14  -6.890  -0.646   0.064
   88    HA   TYR  14           HA       TYR  14  -6.181  -3.447   0.825
   89   1HB   TYR  14          2HB       TYR  14  -4.637  -1.272  -0.625
   90   2HB   TYR  14          1HB       TYR  14  -4.139  -2.956  -0.458
   91    HD1  TYR  14           HD1      TYR  14  -6.813  -0.757  -1.829
   92    HD2  TYR  14           HD2      TYR  14  -4.948  -4.624  -1.935
   93    HE1  TYR  14           HE1      TYR  14  -8.152  -1.348  -3.835
   94    HE2  TYR  14           HE2      TYR  14  -6.285  -5.216  -3.940
   95    HH   TYR  14           HH       TYR  14  -8.701  -4.305  -4.868
   96    H    THR  15           H        THR  15  -3.914  -3.560   1.891
   97    HA   THR  15           HA       THR  15  -3.748  -1.471   4.037
   98    HB   THR  15           HB       THR  15  -2.983  -3.292   5.461
   99    HG1  THR  15           HG1      THR  15  -1.795  -4.586   4.232
  100   1HG2  THR  15          1HG2      THR  15  -4.940  -4.949   5.058
  101   2HG2  THR  15          2HG2      THR  15  -5.404  -3.850   3.760
  102   3HG2  THR  15          3HG2      THR  15  -5.335  -3.270   5.424
  103    H    CYS  16           H        CYS  16  -1.887  -0.277   3.983
  104    HA   CYS  16           HA       CYS  16   0.146  -0.425   2.077
  105   1HB   CYS  16          2HB       CYS  16  -0.428   1.320   3.897
  106   2HB   CYS  16          1HB       CYS  16   0.610   0.366   4.956
  107    H    CYS  17           H        CYS  17   1.733  -1.923   1.706
  108    HA   CYS  17           HA       CYS  17   2.890  -3.416   4.008
  109   1HB   CYS  17          2HB       CYS  17   1.166  -4.440   1.816
  110   2HB   CYS  17          1HB       CYS  17   2.579  -5.421   2.203
  111    HG   CYS  17           HG       CYS  17   1.369  -4.842   4.808
  112    H    ARG  18           H        ARG  18   5.064  -3.932   3.657
  113    HA   ARG  18           HA       ARG  18   6.286  -2.824   1.181
  114   1HB   ARG  18          2HB       ARG  18   6.896  -2.959   3.968
  115   2HB   ARG  18          1HB       ARG  18   8.168  -3.818   3.098
  116   1HG   ARG  18          2HG       ARG  18   7.537  -1.446   1.630
  117   2HG   ARG  18          1HG       ARG  18   7.790  -0.999   3.318
  118   1HD   ARG  18          2HD       ARG  18   9.826  -2.848   2.811
  119   2HD   ARG  18          1HD       ARG  18   9.758  -1.852   1.342
  120    HE   ARG  18           HE       ARG  18   9.953   0.153   2.806
  121   1HH1  ARG  18          1HH2      ARG  18   9.251  -1.703   5.253
  122   2HH1  ARG  18          2HH2      ARG  18  10.763  -1.640   6.095
  123   1HH2  ARG  18          2HH1      ARG  18  12.503  -0.293   3.416
  124   2HH2  ARG  18          1HH1      ARG  18  12.602  -0.845   5.055
  125    H    LEU  19           H        LEU  19   7.444  -4.123  -0.258
  126    HA   LEU  19           HA       LEU  19   6.906  -6.988  -0.252
  127   1HB   LEU  19          2HB       LEU  19   7.805  -4.894  -2.016
  128   2HB   LEU  19          1HB       LEU  19   8.908  -6.267  -2.137
  129    HG   LEU  19           HG       LEU  19   6.659  -7.659  -2.207
  130   1HD1  LEU  19          1HD1      LEU  19   5.035  -5.978  -1.875
  131   2HD1  LEU  19          2HD1      LEU  19   5.010  -6.242  -3.619
  132   3HD1  LEU  19          3HD1      LEU  19   5.858  -4.848  -2.950
  133   1HD2  LEU  19          1HD2      LEU  19   6.630  -7.119  -4.776
  134   2HD2  LEU  19          2HD2      LEU  19   8.073  -7.845  -4.067
  135   3HD2  LEU  19          3HD2      LEU  19   8.028  -6.113  -4.396
  136    HA   PRO  20           HA       PRO  20  10.541  -8.395   1.765
  137   1HB   PRO  20          2HB       PRO  20  11.092 -10.687   0.373
  138   2HB   PRO  20          1HB       PRO  20   9.735 -10.544   1.507
  139   1HG   PRO  20          2HG       PRO  20   9.737 -10.409  -1.463
  140   2HG   PRO  20          1HG       PRO  20   8.555 -11.138  -0.367
  141   1HD   PRO  20          2HD       PRO  20   8.205  -8.714  -1.579
  142   2HD   PRO  20          1HD       PRO  20   7.452  -9.164  -0.033
  143    H    SER  21           H        SER  21  10.606  -7.348  -1.464
  144    HA   SER  21           HA       SER  21  13.572  -7.694  -1.667
  145   1HB   SER  21          2HB       SER  21  12.546  -8.558  -3.594
  146   2HB   SER  21          1HB       SER  21  11.284  -7.329  -3.587
  147    HG   SER  21           HG       SER  21  12.663  -6.689  -5.150
  148    H    GLY  22           H        GLY  22  12.145  -5.620  -0.010
  149   1HA   GLY  22          2HA       GLY  22  12.509  -3.353   0.495
  150   2HA   GLY  22          1HA       GLY  22  13.756  -3.348  -0.752
  151    H    ALA  23           H        ALA  23  10.187  -3.478  -0.490
  152    HA   ALA  23           HA       ALA  23   9.978  -1.301  -2.481
  153   1HB   ALA  23          1HB       ALA  23   9.437  -2.649  -4.221
  154   2HB   ALA  23          2HB       ALA  23   8.284  -3.548  -3.236
  155   3HB   ALA  23          3HB       ALA  23   9.987  -4.003  -3.233
  156    H    TRP  24           H        TRP  24   7.506  -0.881  -2.868
  157    HA   TRP  24           HA       TRP  24   6.022  -1.388  -0.306
  158   1HB   TRP  24          2HB       TRP  24   6.583   1.046  -1.934
  159   2HB   TRP  24          1HB       TRP  24   4.985   0.934  -1.197
  160    HD1  TRP  24           HD1      TRP  24   8.229   2.260  -0.452
  161    HE1  TRP  24           HE1      TRP  24   8.632   2.485   2.085
  162    HE3  TRP  24           HE3      TRP  24   4.435  -0.674   1.306
  163    HZ2  TRP  24           HZ2      TRP  24   7.498   1.542   4.534
  164    HZ3  TRP  24           HZ3      TRP  24   4.119  -0.992   3.744
  165    HH2  TRP  24           HH2      TRP  24   5.646   0.111   5.359
  166    H    GLY  25           H        GLY  25   3.784  -1.825  -0.527
  167   1HA   GLY  25          2HA       GLY  25   2.414  -1.608  -3.077
  168   2HA   GLY  25          1HA       GLY  25   2.836  -3.278  -2.695
  169    H    CYS  26           H        CYS  26   0.142  -2.193  -2.863
  170    HA   CYS  26           HA       CYS  26  -0.773  -2.130  -0.028
  171   1HB   CYS  26          2HB       CYS  26  -2.413  -1.836  -2.555
  172   2HB   CYS  26          1HB       CYS  26  -2.780  -1.215  -0.947
  173    H    CYS  27           H        CYS  27  -1.543  -4.009   0.879
  174    HA   CYS  27           HA       CYS  27  -2.265  -6.255  -0.967
  175   1HB   CYS  27          2HB       CYS  27  -0.861  -5.950   1.611
  176   2HB   CYS  27          1HB       CYS  27  -1.973  -7.317   1.547
  177    HG   CYS  27           HG       CYS  27   0.521  -6.959  -0.282
  178    HA   PRO  28           HA       PRO  28  -6.418  -5.582   0.489
  179   1HB   PRO  28          2HB       PRO  28  -7.543  -7.745  -0.753
  180   2HB   PRO  28          1HB       PRO  28  -7.121  -6.252  -1.614
  181   1HG   PRO  28          2HG       PRO  28  -5.667  -8.844  -1.493
  182   2HG   PRO  28          1HG       PRO  28  -5.876  -7.727  -2.851
  183   1HD   PRO  28          2HD       PRO  28  -3.593  -7.896  -1.360
  184   2HD   PRO  28          1HD       PRO  28  -4.105  -6.429  -2.224
  185    H    PHE  29           H        PHE  29  -7.848  -6.659   2.029
  186    HA   PHE  29           HA       PHE  29  -6.911  -9.256   3.131
  187   1HB   PHE  29          2HB       PHE  29  -6.720  -8.275   5.376
  188   2HB   PHE  29          1HB       PHE  29  -5.659  -7.429   4.252
  189    HD1  PHE  29           HD1      PHE  29  -8.033  -6.981   6.785
  190    HD2  PHE  29           HD2      PHE  29  -6.869  -5.381   2.971
  191    HE1  PHE  29           HE1      PHE  29  -9.159  -4.843   7.336
  192    HE2  PHE  29           HE2      PHE  29  -8.001  -3.247   3.520
  193    HZ   PHE  29           HZ       PHE  29  -9.144  -2.975   5.704
  194    H    THR  30           H        THR  30  -9.286  -6.585   3.492
  195    HA   THR  30           HA       THR  30 -11.395  -8.681   3.805
  196    HB   THR  30           HB       THR  30 -10.437  -7.672   5.988
  197    HG1  THR  30           HG1      THR  30 -13.089  -7.910   5.186
  198   1HG2  THR  30          1HG2      THR  30 -10.928  -5.481   6.558
  199   2HG2  THR  30          2HG2      THR  30 -12.305  -5.393   5.461
  200   3HG2  THR  30          3HG2      THR  30 -10.662  -5.301   4.824
  201    H    GLN  31           H        GLN  31 -11.069  -7.422   1.404
  202    HA   GLN  31           HA       GLN  31 -12.158  -4.934   0.848
  203   1HB   GLN  31          2HB       GLN  31 -12.459  -7.630  -0.493
  204   2HB   GLN  31          1HB       GLN  31 -13.043  -6.143  -1.240
  205   1HG   GLN  31          2HG       GLN  31 -10.910  -5.297  -1.554
  206   2HG   GLN  31          1HG       GLN  31 -10.239  -6.202  -0.196
  207   1HE2  GLN  31          1HE2      GLN  31  -9.960  -8.605  -0.542
  208   2HE2  GLN  31          2HE2      GLN  31  -9.697  -9.182  -2.116
  Start of MODEL    6
    1    H    VAL   1           H        VAL   1  -8.471   9.636  -0.276
    2    HA   VAL   1           HA       VAL   1  -7.546   7.279  -1.064
    3    HB   VAL   1           HB       VAL   1  -5.314   7.759  -2.243
    4   1HG1  VAL   1          1HG1      VAL   1  -6.437   7.294  -4.145
    5   2HG1  VAL   1          2HG1      VAL   1  -7.291   8.837  -4.100
    6   3HG1  VAL   1          3HG1      VAL   1  -7.914   7.458  -3.195
    7   1HG2  VAL   1          1HG2      VAL   1  -4.826   9.896  -2.990
    8   2HG2  VAL   1          2HG2      VAL   1  -5.658  10.291  -1.486
    9   3HG2  VAL   1          3HG2      VAL   1  -6.520  10.384  -3.022
   10    H    VAL   2           H        VAL   2  -5.692   6.412   0.138
   11    HA   VAL   2           HA       VAL   2  -4.895   8.190   2.404
   12    HB   VAL   2           HB       VAL   2  -4.851   5.175   2.068
   13   1HG1  VAL   2          1HG1      VAL   2  -3.764   6.957   4.061
   14   2HG1  VAL   2          2HG1      VAL   2  -3.666   5.198   3.984
   15   3HG1  VAL   2          3HG1      VAL   2  -5.038   5.971   4.778
   16   1HG2  VAL   2          1HG2      VAL   2  -6.929   5.116   3.222
   17   2HG2  VAL   2          2HG2      VAL   2  -7.124   6.382   2.010
   18   3HG2  VAL   2          3HG2      VAL   2  -6.806   6.811   3.692
   19    H    HIS   3           H        HIS   3  -2.966   9.171   1.756
   20    HA   HIS   3           HA       HIS   3  -0.984   8.321   0.027
   21   1HB   HIS   3          2HB       HIS   3  -0.937   9.808   2.650
   22   2HB   HIS   3          1HB       HIS   3   0.547   9.568   1.728
   23    HD1  HIS   3           HD1      HIS   3   1.020  11.463   0.195
   24    HD2  HIS   3           HD2      HIS   3  -3.081  10.903   0.695
   25    HE1  HIS   3           HE1      HIS   3  -0.121  13.242  -1.199
   26    H    CYS   4           H        CYS   4   0.104   6.400  -0.061
   27    HA   CYS   4           HA       CYS   4   0.332   4.649   2.277
   28   1HB   CYS   4          2HB       CYS   4   0.440   4.501  -0.565
   29   2HB   CYS   4          1HB       CYS   4   1.985   3.903   0.041
   30    H    ASP   5           H        ASP   5   2.481   6.725   0.356
   31    HA   ASP   5           HA       ASP   5   4.328   7.057   2.582
   32   1HB   ASP   5          2HB       ASP   5   5.019   4.843   2.004
   33   2HB   ASP   5          1HB       ASP   5   4.966   5.204   0.279
   34    H    MET   6           H        MET   6   5.192   6.847  -0.860
   35    HA   MET   6           HA       MET   6   5.096   9.816  -1.079
   36   1HB   MET   6          2HB       MET   6   7.328   8.762  -0.170
   37   2HB   MET   6          1HB       MET   6   7.584   8.320  -1.860
   38   1HG   MET   6          2HG       MET   6   8.613  10.499  -1.397
   39   2HG   MET   6          1HG       MET   6   7.260  10.693  -2.511
   40   1HE   MET   6          1HE       MET   6   8.391  12.862   0.850
   41   2HE   MET   6          2HE       MET   6   9.027  11.295   0.354
   42   3HE   MET   6          3HE       MET   6   7.934  11.398   1.733
   43    H    GLU   7           H        GLU   7   6.204   6.872  -2.825
   44    HA   GLU   7           HA       GLU   7   5.118   8.061  -5.341
   45   1HB   GLU   7          2HB       GLU   7   6.577   6.401  -6.415
   46   2HB   GLU   7          1HB       GLU   7   7.490   7.308  -5.211
   47   1HG   GLU   7          2HG       GLU   7   7.743   5.499  -3.843
   48   2HG   GLU   7          1HG       GLU   7   6.140   4.864  -4.219
   49    H    VAL   8           H        VAL   8   3.791   6.384  -2.973
   50    HA   VAL   8           HA       VAL   8   2.171   4.691  -4.829
   51    HB   VAL   8           HB       VAL   8   2.205   3.108  -2.668
   52   1HG1  VAL   8          1HG1      VAL   8   3.047   1.838  -4.319
   53   2HG1  VAL   8          2HG1      VAL   8   4.644   2.478  -3.928
   54   3HG1  VAL   8          3HG1      VAL   8   3.658   3.261  -5.162
   55   1HG2  VAL   8          1HG2      VAL   8   5.054   4.011  -2.575
   56   2HG2  VAL   8          2HG2      VAL   8   4.072   3.267  -1.313
   57   3HG2  VAL   8          3HG2      VAL   8   3.865   4.975  -1.699
   58    H    ILE   9           H        ILE   9  -0.024   4.699  -4.335
   59    HA   ILE   9           HA       ILE   9  -0.897   5.877  -1.740
   60    HB   ILE   9           HB       ILE   9  -0.542   7.514  -3.782
   61   1HG1  ILE   9          2HG1      ILE   9  -1.483   8.485  -1.880
   62   2HG1  ILE   9          1HG1      ILE   9  -2.772   8.695  -3.061
   63   1HG2  ILE   9          1HG2      ILE   9  -3.288   6.389  -4.400
   64   2HG2  ILE   9          2HG2      ILE   9  -1.841   6.106  -5.369
   65   3HG2  ILE   9          3HG2      ILE   9  -2.498   7.736  -5.221
   66   1HD1  ILE   9          1HD1      ILE   9  -3.816   6.576  -2.228
   67   2HD1  ILE   9          2HD1      ILE   9  -3.732   7.837  -0.997
   68   3HD1  ILE   9          3HD1      ILE   9  -2.576   6.505  -0.975
   69    H    CYS  10           H        CYS  10  -2.593   4.639  -0.964
   70    HA   CYS  10           HA       CYS  10  -4.148   3.007  -2.947
   71   1HB   CYS  10          2HB       CYS  10  -2.688   2.403  -0.506
   72   2HB   CYS  10          1HB       CYS  10  -4.364   1.865  -0.392
   73    HA   PRO  11           HA       PRO  11  -7.726   5.019  -1.383
   74   1HB   PRO  11          2HB       PRO  11  -9.627   3.166  -2.028
   75   2HB   PRO  11          1HB       PRO  11  -8.819   4.186  -3.232
   76   1HG   PRO  11          2HG       PRO  11  -8.394   1.337  -2.581
   77   2HG   PRO  11          1HG       PRO  11  -8.209   2.186  -4.119
   78   1HD   PRO  11          2HD       PRO  11  -6.130   1.431  -2.425
   79   2HD   PRO  11          1HD       PRO  11  -6.023   2.623  -3.737
   80    H    ASP  12           H        ASP  12  -6.272   3.671   0.701
   81    HA   ASP  12           HA       ASP  12  -6.653   2.998   2.934
   82   1HB   ASP  12          2HB       ASP  12  -8.624   4.651   2.315
   83   2HB   ASP  12          1HB       ASP  12  -9.600   3.184   2.401
   84    H    GLY  13           H        GLY  13  -9.361   1.665   0.988
   85   1HA   GLY  13          2HA       GLY  13  -9.841  -0.696   2.300
   86   2HA   GLY  13          1HA       GLY  13  -9.893  -0.594   0.542
   87    H    TYR  14           H        TYR  14  -6.940   0.075   0.493
   88    HA   TYR  14           HA       TYR  14  -6.011  -2.750   0.704
   89   1HB   TYR  14          2HB       TYR  14  -5.015  -0.276  -0.735
   90   2HB   TYR  14          1HB       TYR  14  -4.186  -1.834  -0.783
   91    HD1  TYR  14           HD1      TYR  14  -5.067  -3.694  -2.032
   92    HD2  TYR  14           HD2      TYR  14  -7.279  -0.029  -1.703
   93    HE1  TYR  14           HE1      TYR  14  -6.600  -4.459  -3.826
   94    HE2  TYR  14           HE2      TYR  14  -8.814  -0.791  -3.498
   95    HH   TYR  14           HH       TYR  14  -9.356  -2.448  -4.870
   96    H    THR  15           H        THR  15  -3.984  -3.228   1.711
   97    HA   THR  15           HA       THR  15  -3.216  -1.293   3.850
   98    HB   THR  15           HB       THR  15  -3.949  -3.584   4.452
   99    HG1  THR  15           HG1      THR  15  -1.198  -3.658   4.870
  100   1HG2  THR  15          1HG2      THR  15  -1.685  -5.089   3.612
  101   2HG2  THR  15          2HG2      THR  15  -2.316  -4.251   2.196
  102   3HG2  THR  15          3HG2      THR  15  -3.368  -5.307   3.137
  103    H    CYS  16           H        CYS  16  -1.030  -0.636   4.053
  104    HA   CYS  16           HA       CYS  16   0.614  -0.960   1.604
  105   1HB   CYS  16          2HB       CYS  16  -0.017   1.140   3.262
  106   2HB   CYS  16          1HB       CYS  16   1.585   0.688   3.848
  107    H    CYS  17           H        CYS  17   2.190  -2.493   1.574
  108    HA   CYS  17           HA       CYS  17   3.664  -3.110   4.098
  109   1HB   CYS  17          2HB       CYS  17   1.722  -4.728   2.770
  110   2HB   CYS  17          1HB       CYS  17   3.297  -5.485   2.527
  111    HG   CYS  17           HG       CYS  17   2.024  -4.922   5.323
  112    H    ARG  18           H        ARG  18   5.871  -3.573   3.714
  113    HA   ARG  18           HA       ARG  18   6.839  -2.950   0.987
  114   1HB   ARG  18          2HB       ARG  18   7.756  -2.773   3.756
  115   2HB   ARG  18          1HB       ARG  18   9.002  -3.414   2.683
  116   1HG   ARG  18          2HG       ARG  18   7.900  -1.336   1.208
  117   2HG   ARG  18          1HG       ARG  18   7.914  -0.703   2.853
  118   1HD   ARG  18          2HD       ARG  18  10.382  -1.805   2.801
  119   2HD   ARG  18          1HD       ARG  18  10.202  -1.391   1.084
  120    HE   ARG  18           HE       ARG  18   9.262   0.790   2.687
  121   1HH1  ARG  18          2HH1      ARG  18  11.466   0.285   0.393
  122   2HH1  ARG  18          1HH1      ARG  18  12.771   1.172   1.110
  123   1HH2  ARG  18          1HH2      ARG  18  11.231   1.454   4.204
  124   2HH2  ARG  18          2HH2      ARG  18  12.636   1.835   3.265
  125    H    LEU  19           H        LEU  19   7.715  -4.474  -0.363
  126    HA   LEU  19           HA       LEU  19   7.369  -7.278   0.106
  127   1HB   LEU  19          2HB       LEU  19   8.171  -5.460  -1.951
  128   2HB   LEU  19          1HB       LEU  19   9.372  -6.750  -1.869
  129    HG   LEU  19           HG       LEU  19   7.147  -8.245  -1.680
  130   1HD1  LEU  19          1HD1      LEU  19   6.315  -5.607  -2.727
  131   2HD1  LEU  19          2HD1      LEU  19   5.347  -6.874  -1.975
  132   3HD1  LEU  19          3HD1      LEU  19   5.776  -6.988  -3.682
  133   1HD2  LEU  19          1HD2      LEU  19   9.096  -7.669  -3.616
  134   2HD2  LEU  19          2HD2      LEU  19   7.558  -7.546  -4.472
  135   3HD2  LEU  19          3HD2      LEU  19   7.979  -9.035  -3.625
  136    HA   PRO  20           HA       PRO  20  11.115  -8.467   2.062
  137   1HB   PRO  20          2HB       PRO  20  11.840 -10.726   0.708
  138   2HB   PRO  20          1HB       PRO  20  10.443 -10.665   1.801
  139   1HG   PRO  20          2HG       PRO  20  10.529 -10.589  -1.166
  140   2HG   PRO  20          1HG       PRO  20   9.338 -11.329  -0.086
  141   1HD   PRO  20          2HD       PRO  20   8.988  -8.930  -1.393
  142   2HD   PRO  20          1HD       PRO  20   8.120  -9.416   0.079
  143    H    SER  21           H        SER  21  11.186  -7.219  -1.020
  144    HA   SER  21           HA       SER  21  14.171  -7.472  -1.213
  145   1HB   SER  21          2HB       SER  21  12.018  -7.072  -3.311
  146   2HB   SER  21          1HB       SER  21  13.746  -7.072  -3.655
  147    HG   SER  21           HG       SER  21  13.693  -9.166  -3.588
  148    H    GLY  22           H        GLY  22  12.553  -5.444   0.319
  149   1HA   GLY  22          2HA       GLY  22  12.705  -3.136   0.723
  150   2HA   GLY  22          1HA       GLY  22  14.037  -3.106  -0.432
  151    H    ALA  23           H        ALA  23  10.508  -3.687  -0.601
  152    HA   ALA  23           HA       ALA  23  10.304  -1.514  -2.628
  153   1HB   ALA  23          1HB       ALA  23  10.730  -3.964  -3.517
  154   2HB   ALA  23          2HB       ALA  23   9.513  -2.955  -4.297
  155   3HB   ALA  23          3HB       ALA  23   9.023  -4.187  -3.135
  156    H    TRP  24           H        TRP  24   7.902  -1.082  -3.093
  157    HA   TRP  24           HA       TRP  24   6.347  -1.446  -0.564
  158   1HB   TRP  24          2HB       TRP  24   6.620   0.616  -2.694
  159   2HB   TRP  24          1HB       TRP  24   5.022   0.439  -1.971
  160    HD1  TRP  24           HD1      TRP  24   7.610   2.675  -1.552
  161    HE1  TRP  24           HE1      TRP  24   8.007   3.401   0.890
  162    HE3  TRP  24           HE3      TRP  24   5.150  -1.073   0.893
  163    HZ2  TRP  24           HZ2      TRP  24   7.366   2.509   3.531
  164    HZ3  TRP  24           HZ3      TRP  24   5.060  -1.111   3.370
  165    HH2  TRP  24           HH2      TRP  24   6.164   0.674   4.692
  166    H    GLY  25           H        GLY  25   4.203  -2.244  -0.673
  167   1HA   GLY  25          2HA       GLY  25   3.044  -2.948  -3.286
  168   2HA   GLY  25          1HA       GLY  25   3.463  -4.316  -2.255
  169    H    CYS  26           H        CYS  26   0.837  -2.824  -3.160
  170    HA   CYS  26           HA       CYS  26  -0.364  -2.431  -0.455
  171   1HB   CYS  26          2HB       CYS  26  -0.466  -0.993  -2.793
  172   2HB   CYS  26          1HB       CYS  26  -1.948  -1.942  -2.896
  173    H    CYS  27           H        CYS  27  -1.660  -4.032   0.361
  174    HA   CYS  27           HA       CYS  27  -2.752  -6.058  -1.568
  175   1HB   CYS  27          2HB       CYS  27  -1.699  -6.390   1.257
  176   2HB   CYS  27          1HB       CYS  27  -2.378  -7.686   0.273
  177    HG   CYS  27           HG       CYS  27  -0.285  -6.668  -1.436
  178    HA   PRO  28           HA       PRO  28  -6.588  -4.780   0.261
  179   1HB   PRO  28          2HB       PRO  28  -8.182  -6.617  -0.989
  180   2HB   PRO  28          1HB       PRO  28  -7.537  -5.183  -1.812
  181   1HG   PRO  28          2HG       PRO  28  -6.629  -8.005  -1.937
  182   2HG   PRO  28          1HG       PRO  28  -6.667  -6.773  -3.206
  183   1HD   PRO  28          2HD       PRO  28  -4.406  -7.528  -1.832
  184   2HD   PRO  28          1HD       PRO  28  -4.615  -5.962  -2.647
  185    H    PHE  29           H        PHE  29  -7.963  -5.575   1.943
  186    HA   PHE  29           HA       PHE  29  -7.424  -8.372   2.882
  187   1HB   PHE  29          2HB       PHE  29  -7.424  -7.319   5.207
  188   2HB   PHE  29          1HB       PHE  29  -6.037  -6.914   4.195
  189    HD1  PHE  29           HD1      PHE  29  -5.516  -4.668   3.742
  190    HD2  PHE  29           HD2      PHE  29  -9.444  -5.688   5.152
  191    HE1  PHE  29           HE1      PHE  29  -6.072  -2.260   3.938
  192    HE2  PHE  29           HE2      PHE  29  -9.999  -3.279   5.349
  193    HZ   PHE  29           HZ       PHE  29  -8.312  -1.565   4.744
  194    H    THR  30           H        THR  30  -9.252  -9.422   3.684
  195    HA   THR  30           HA       THR  30 -11.850  -8.067   3.290
  196    HB   THR  30           HB       THR  30 -10.929 -10.885   3.914
  197    HG1  THR  30           HG1      THR  30 -11.086 -11.084   1.840
  198   1HG2  THR  30          1HG2      THR  30 -12.975 -10.991   4.967
  199   2HG2  THR  30          2HG2      THR  30 -13.506 -11.254   3.306
  200   3HG2  THR  30          3HG2      THR  30 -13.644  -9.653   4.033
  201    H    GLN  31           H        GLN  31 -13.479  -8.057   5.009
  202    HA   GLN  31           HA       GLN  31 -12.678  -8.700   7.762
  203   1HB   GLN  31          2HB       GLN  31 -12.570  -6.436   8.537
  204   2HB   GLN  31          1HB       GLN  31 -11.595  -6.479   7.069
  205   1HG   GLN  31          2HG       GLN  31 -14.207  -5.966   6.183
  206   2HG   GLN  31          1HG       GLN  31 -14.008  -4.960   7.617
  207   1HE2  GLN  31          1HE2      GLN  31 -11.857  -5.935   4.877
  208   2HE2  GLN  31          2HE2      GLN  31 -11.315  -4.359   4.556
  Start of MODEL    7
    1    H    VAL   1           H        VAL   1  -6.862  10.990   0.873
    2    HA   VAL   1           HA       VAL   1  -7.108   8.161  -0.105
    3    HB   VAL   1           HB       VAL   1  -4.790   8.564  -1.017
    4   1HG1  VAL   1          1HG1      VAL   1  -6.938   8.850  -2.346
    5   2HG1  VAL   1          2HG1      VAL   1  -5.551   9.753  -2.959
    6   3HG1  VAL   1          3HG1      VAL   1  -6.806  10.580  -2.035
    7   1HG2  VAL   1          1HG2      VAL   1  -4.241  10.438   0.532
    8   2HG2  VAL   1          2HG2      VAL   1  -5.430  11.444  -0.297
    9   3HG2  VAL   1          3HG2      VAL   1  -3.997  10.881  -1.158
   10    H    VAL   2           H        VAL   2  -5.034   6.901   0.644
   11    HA   VAL   2           HA       VAL   2  -4.632   7.494   3.550
   12    HB   VAL   2           HB       VAL   2  -4.325   4.976   1.881
   13   1HG1  VAL   2          1HG1      VAL   2  -4.228   5.292   4.894
   14   2HG1  VAL   2          2HG1      VAL   2  -2.795   5.139   3.879
   15   3HG1  VAL   2          3HG1      VAL   2  -3.955   3.813   3.971
   16   1HG2  VAL   2          1HG2      VAL   2  -6.393   5.772   3.954
   17   2HG2  VAL   2          2HG2      VAL   2  -6.347   4.247   3.069
   18   3HG2  VAL   2          3HG2      VAL   2  -6.661   5.755   2.211
   19    H    HIS   3           H        HIS   3  -2.990   7.103   0.483
   20    HA   HIS   3           HA       HIS   3  -0.723   7.401  -0.113
   21   1HB   HIS   3          2HB       HIS   3  -1.513   9.279   1.852
   22   2HB   HIS   3          1HB       HIS   3   0.101   8.739   2.312
   23    HD1  HIS   3           HD1      HIS   3   1.452   8.340  -0.361
   24    HD2  HIS   3           HD2      HIS   3  -1.042  11.591   0.409
   25    HE1  HIS   3           HE1      HIS   3   2.090  10.143  -2.022
   26    H    CYS   4           H        CYS   4  -0.058   5.183   0.081
   27    HA   CYS   4           HA       CYS   4   0.561   3.842   2.524
   28   1HB   CYS   4          2HB       CYS   4   1.116   3.574  -0.388
   29   2HB   CYS   4          1HB       CYS   4   2.172   2.665   0.691
   30    H    ASP   5           H        ASP   5   2.510   5.908   0.390
   31    HA   ASP   5           HA       ASP   5   4.378   6.480   2.573
   32   1HB   ASP   5          2HB       ASP   5   4.795   4.211   1.000
   33   2HB   ASP   5          1HB       ASP   5   5.875   5.417   0.300
   34    H    MET   6           H        MET   6   6.529   7.254   0.770
   35    HA   MET   6           HA       MET   6   5.462   9.830  -0.121
   36   1HB   MET   6          2HB       MET   6   8.028   8.502   0.400
   37   2HB   MET   6          1HB       MET   6   8.086   9.598  -0.981
   38   1HG   MET   6          2HG       MET   6   8.624  10.784   1.121
   39   2HG   MET   6          1HG       MET   6   7.139  11.405   0.400
   40   1HE   MET   6          1HE       MET   6   6.759  11.926   4.002
   41   2HE   MET   6          2HE       MET   6   5.411  12.115   2.885
   42   3HE   MET   6          3HE       MET   6   7.042  12.521   2.360
   43    H    GLU   7           H        GLU   7   5.978   6.741  -1.578
   44    HA   GLU   7           HA       GLU   7   5.495   7.961  -4.272
   45   1HB   GLU   7          2HB       GLU   7   7.736   6.356  -3.244
   46   2HB   GLU   7          1HB       GLU   7   7.056   5.731  -4.747
   47   1HG   GLU   7          2HG       GLU   7   7.234   8.583  -4.954
   48   2HG   GLU   7          1HG       GLU   7   8.795   7.962  -4.414
   49    H    VAL   8           H        VAL   8   3.836   6.423  -2.162
   50    HA   VAL   8           HA       VAL   8   2.705   4.454  -4.099
   51    HB   VAL   8           HB       VAL   8   3.276   3.870  -1.179
   52   1HG1  VAL   8          1HG1      VAL   8   2.823   1.857  -3.366
   53   2HG1  VAL   8          2HG1      VAL   8   1.442   2.654  -2.612
   54   3HG1  VAL   8          3HG1      VAL   8   2.549   1.694  -1.632
   55   1HG2  VAL   8          1HG2      VAL   8   5.170   2.530  -1.975
   56   2HG2  VAL   8          2HG2      VAL   8   5.372   4.206  -2.486
   57   3HG2  VAL   8          3HG2      VAL   8   4.822   2.993  -3.640
   58    H    ILE   9           H        ILE   9   0.444   4.119  -3.805
   59    HA   ILE   9           HA       ILE   9  -0.971   5.293  -1.521
   60    HB   ILE   9           HB       ILE   9  -0.421   7.271  -2.866
   61   1HG1  ILE   9          2HG1      ILE   9  -3.297   6.754  -3.541
   62   2HG1  ILE   9          1HG1      ILE   9  -2.816   6.767  -1.844
   63   1HG2  ILE   9          1HG2      ILE   9  -0.912   5.451  -5.024
   64   2HG2  ILE   9          2HG2      ILE   9  -0.275   7.094  -5.103
   65   3HG2  ILE   9          3HG2      ILE   9  -2.014   6.818  -5.189
   66   1HD1  ILE   9          1HD1      ILE   9  -1.722   8.993  -3.442
   67   2HD1  ILE   9          2HD1      ILE   9  -2.448   9.012  -1.835
   68   3HD1  ILE   9          3HD1      ILE   9  -3.477   9.009  -3.267
   69    H    CYS  10           H        CYS  10  -3.062   4.423  -1.370
   70    HA   CYS  10           HA       CYS  10  -3.903   2.619  -3.618
   71   1HB   CYS  10          2HB       CYS  10  -3.303   2.144  -0.874
   72   2HB   CYS  10          1HB       CYS  10  -5.040   1.916  -1.073
   73    HA   PRO  11           HA       PRO  11  -7.773   4.695  -3.581
   74   1HB   PRO  11          2HB       PRO  11  -9.519   2.670  -4.134
   75   2HB   PRO  11          1HB       PRO  11  -8.378   3.314  -5.329
   76   1HG   PRO  11          2HG       PRO  11  -8.276   0.795  -3.791
   77   2HG   PRO  11          1HG       PRO  11  -7.644   1.165  -5.399
   78   1HD   PRO  11          2HD       PRO  11  -6.152   1.009  -3.043
   79   2HD   PRO  11          1HD       PRO  11  -5.618   1.734  -4.574
   80    H    ASP  12           H        ASP  12  -6.932   3.893  -0.875
   81    HA   ASP  12           HA       ASP  12  -7.903   3.856   1.265
   82   1HB   ASP  12          2HB       ASP  12 -10.567   3.965  -0.149
   83   2HB   ASP  12          1HB       ASP  12 -10.125   4.649   1.413
   84    H    GLY  13           H        GLY  13  -8.406   2.171   2.575
   85   1HA   GLY  13          2HA       GLY  13  -9.372   0.106   3.261
   86   2HA   GLY  13          1HA       GLY  13 -10.113  -0.038   1.668
   87    H    TYR  14           H        TYR  14  -6.673   0.424   2.487
   88    HA   TYR  14           HA       TYR  14  -6.083  -2.346   1.598
   89   1HB   TYR  14          2HB       TYR  14  -5.472   0.206   0.139
   90   2HB   TYR  14          1HB       TYR  14  -4.338  -1.140   0.014
   91    HD1  TYR  14           HD1      TYR  14  -5.457  -3.501  -0.448
   92    HD2  TYR  14           HD2      TYR  14  -7.270   0.287  -1.349
   93    HE1  TYR  14           HE1      TYR  14  -6.943  -4.606  -2.095
   94    HE2  TYR  14           HE2      TYR  14  -8.758  -0.820  -2.996
   95    HH   TYR  14           HH       TYR  14  -9.195  -4.145  -3.132
   96    H    THR  15           H        THR  15  -3.969  -3.034   2.247
   97    HA   THR  15           HA       THR  15  -2.709  -1.299   4.327
   98    HB   THR  15           HB       THR  15  -3.541  -3.500   5.021
   99    HG1  THR  15           HG1      THR  15  -1.605  -4.277   5.860
  100   1HG2  THR  15          1HG2      THR  15  -1.733  -5.235   3.662
  101   2HG2  THR  15          2HG2      THR  15  -2.548  -4.252   2.445
  102   3HG2  THR  15          3HG2      THR  15  -3.494  -5.219   3.577
  103    H    CYS  16           H        CYS  16  -0.458  -0.887   4.229
  104    HA   CYS  16           HA       CYS  16   0.787  -1.298   1.557
  105   1HB   CYS  16          2HB       CYS  16   1.829   0.325   3.888
  106   2HB   CYS  16          1HB       CYS  16   2.159   0.554   2.172
  107    H    CYS  17           H        CYS  17   2.047  -3.118   1.396
  108    HA   CYS  17           HA       CYS  17   3.535  -4.039   3.830
  109   1HB   CYS  17          2HB       CYS  17   2.452  -5.398   1.353
  110   2HB   CYS  17          1HB       CYS  17   3.587  -6.202   2.437
  111    HG   CYS  17           HG       CYS  17   0.937  -5.068   3.625
  112    H    ARG  18           H        ARG  18   5.737  -3.792   3.760
  113    HA   ARG  18           HA       ARG  18   7.023  -2.850   1.283
  114   1HB   ARG  18          2HB       ARG  18   7.345  -2.564   4.061
  115   2HB   ARG  18          1HB       ARG  18   8.768  -3.460   3.525
  116   1HG   ARG  18          2HG       ARG  18   8.118  -1.308   1.679
  117   2HG   ARG  18          1HG       ARG  18   8.371  -0.695   3.314
  118   1HD   ARG  18          2HD       ARG  18  10.386  -2.664   2.812
  119   2HD   ARG  18          1HD       ARG  18  10.361  -1.540   1.439
  120    HE   ARG  18           HE       ARG  18  10.433  -0.548   4.264
  121   1HH1  ARG  18          2HH1      ARG  18  12.369  -1.151   1.593
  122   2HH1  ARG  18          1HH1      ARG  18  13.048   0.439   1.502
  123   1HH2  ARG  18          1HH2      ARG  18  10.924   1.766   3.902
  124   2HH2  ARG  18          2HH2      ARG  18  12.229   2.092   2.811
  125    H    LEU  19           H        LEU  19   7.975  -4.241  -0.153
  126    HA   LEU  19           HA       LEU  19   8.166  -7.090   0.349
  127   1HB   LEU  19          2HB       LEU  19   8.399  -5.182  -1.799
  128   2HB   LEU  19          1HB       LEU  19   9.770  -6.290  -1.856
  129    HG   LEU  19           HG       LEU  19   7.653  -7.982  -1.319
  130   1HD1  LEU  19          1HD1      LEU  19   6.445  -6.766  -3.618
  131   2HD1  LEU  19          2HD1      LEU  19   6.555  -5.559  -2.338
  132   3HD1  LEU  19          3HD1      LEU  19   5.721  -7.084  -2.043
  133   1HD2  LEU  19          1HD2      LEU  19   8.087  -8.845  -3.487
  134   2HD2  LEU  19          2HD2      LEU  19   9.603  -8.080  -3.011
  135   3HD2  LEU  19          3HD2      LEU  19   8.510  -7.256  -4.125
  136    HA   PRO  20           HA       PRO  20  12.212  -7.326   2.032
  137   1HB   PRO  20          2HB       PRO  20  13.133  -9.652   0.924
  138   2HB   PRO  20          1HB       PRO  20  11.893  -9.611   2.193
  139   1HG   PRO  20          2HG       PRO  20  11.591 -10.001  -0.736
  140   2HG   PRO  20          1HG       PRO  20  10.696 -10.737   0.601
  141   1HD   PRO  20          2HD       PRO  20   9.747  -8.671  -0.937
  142   2HD   PRO  20          1HD       PRO  20   9.208  -9.014   0.722
  143    H    SER  21           H        SER  21  11.709  -6.825  -1.275
  144    HA   SER  21           HA       SER  21  14.645  -6.544  -1.808
  145   1HB   SER  21          2HB       SER  21  12.953  -8.038  -3.163
  146   2HB   SER  21          1HB       SER  21  12.474  -6.507  -3.889
  147    HG   SER  21           HG       SER  21  15.199  -7.120  -3.668
  148    H    GLY  22           H        GLY  22  12.931  -4.561  -0.368
  149   1HA   GLY  22          2HA       GLY  22  12.728  -2.221  -0.340
  150   2HA   GLY  22          1HA       GLY  22  13.813  -2.187  -1.731
  151    H    ALA  23           H        ALA  23  10.428  -3.043  -0.938
  152    HA   ALA  23           HA       ALA  23   9.507  -1.456  -3.258
  153   1HB   ALA  23          1HB       ALA  23  10.097  -4.195  -3.467
  154   2HB   ALA  23          2HB       ALA  23   9.165  -3.235  -4.616
  155   3HB   ALA  23          3HB       ALA  23   8.340  -4.119  -3.332
  156    H    TRP  24           H        TRP  24   6.952  -1.860  -3.386
  157    HA   TRP  24           HA       TRP  24   5.866  -2.150  -0.609
  158   1HB   TRP  24          2HB       TRP  24   5.771   0.122  -2.549
  159   2HB   TRP  24          1HB       TRP  24   4.340  -0.169  -1.561
  160    HD1  TRP  24           HD1      TRP  24   7.427   1.704  -1.478
  161    HE1  TRP  24           HE1      TRP  24   8.092   2.346   0.928
  162    HE3  TRP  24           HE3      TRP  24   4.347  -1.409   1.150
  163    HZ2  TRP  24           HZ2      TRP  24   7.407   1.636   3.613
  164    HZ3  TRP  24           HZ3      TRP  24   4.374  -1.405   3.628
  165    HH2  TRP  24           HH2      TRP  24   5.899   0.112   4.862
  166    H    GLY  25           H        GLY  25   3.751  -3.013  -0.535
  167   1HA   GLY  25          2HA       GLY  25   2.453  -3.665  -3.138
  168   2HA   GLY  25          1HA       GLY  25   2.736  -4.956  -1.968
  169    H    CYS  26           H        CYS  26   0.262  -3.318  -3.064
  170    HA   CYS  26           HA       CYS  26  -0.902  -2.477  -0.459
  171   1HB   CYS  26          2HB       CYS  26  -0.991  -1.556  -3.098
  172   2HB   CYS  26          1HB       CYS  26  -2.579  -2.282  -2.841
  173    H    CYS  27           H        CYS  27  -1.843  -4.147   0.665
  174    HA   CYS  27           HA       CYS  27  -3.223  -6.315  -0.871
  175   1HB   CYS  27          2HB       CYS  27  -1.749  -6.043   1.696
  176   2HB   CYS  27          1HB       CYS  27  -3.113  -7.161   1.707
  177    HG   CYS  27           HG       CYS  27  -0.661  -7.432  -0.218
  178    HA   PRO  28           HA       PRO  28  -7.096  -4.670   0.439
  179   1HB   PRO  28          2HB       PRO  28  -8.617  -6.933   0.188
  180   2HB   PRO  28          1HB       PRO  28  -8.058  -5.982  -1.204
  181   1HG   PRO  28          2HG       PRO  28  -6.954  -8.509  -0.073
  182   2HG   PRO  28          1HG       PRO  28  -7.150  -8.020  -1.764
  183   1HD   PRO  28          2HD       PRO  28  -4.769  -7.919  -0.458
  184   2HD   PRO  28          1HD       PRO  28  -5.198  -6.811  -1.780
  185    H    PHE  29           H        PHE  29  -8.406  -4.653   2.334
  186    HA   PHE  29           HA       PHE  29  -8.080  -6.810   4.337
  187   1HB   PHE  29          2HB       PHE  29  -6.245  -4.854   4.334
  188   2HB   PHE  29          1HB       PHE  29  -7.501  -4.026   5.254
  189    HD1  PHE  29           HD1      PHE  29  -6.347  -7.594   5.099
  190    HD2  PHE  29           HD2      PHE  29  -7.050  -4.130   7.538
  191    HE1  PHE  29           HE1      PHE  29  -5.731  -8.892   7.119
  192    HE2  PHE  29           HE2      PHE  29  -6.434  -5.428   9.559
  193    HZ   PHE  29           HZ       PHE  29  -5.774  -7.809   9.350
  194    H    THR  30           H        THR  30 -10.218  -5.214   2.717
  195    HA   THR  30           HA       THR  30 -11.857  -4.207   5.004
  196    HB   THR  30           HB       THR  30 -13.205  -3.241   3.088
  197    HG1  THR  30           HG1      THR  30 -12.550  -3.581   1.079
  198   1HG2  THR  30          1HG2      THR  30 -11.222  -1.717   2.332
  199   2HG2  THR  30          2HG2      THR  30 -10.291  -2.635   3.515
  200   3HG2  THR  30          3HG2      THR  30 -11.702  -1.711   4.029
  201    H    GLN  31           H        GLN  31 -11.451  -7.114   4.392
  202    HA   GLN  31           HA       GLN  31 -13.898  -8.094   3.142
  203   1HB   GLN  31          2HB       GLN  31 -12.990 -10.269   3.933
  204   2HB   GLN  31          1HB       GLN  31 -11.751  -9.304   3.129
  205   1HG   GLN  31          2HG       GLN  31 -10.698  -8.735   5.150
  206   2HG   GLN  31          1HG       GLN  31 -12.129  -9.117   6.110
  207   1HE2  GLN  31          1HE2      GLN  31 -10.347 -10.460   7.308
  208   2HE2  GLN  31          2HE2      GLN  31 -10.101 -12.047   6.756
  Start of MODEL    8
    1    H    VAL   1           H        VAL   1  -8.203   8.707  -3.336
    2    HA   VAL   1           HA       VAL   1  -7.448   5.888  -2.935
    3    HB   VAL   1           HB       VAL   1  -5.221   6.301  -4.061
    4   1HG1  VAL   1          1HG1      VAL   1  -6.042   5.793  -6.232
    5   2HG1  VAL   1          2HG1      VAL   1  -7.519   6.723  -5.978
    6   3HG1  VAL   1          3HG1      VAL   1  -7.283   5.193  -5.133
    7   1HG2  VAL   1          1HG2      VAL   1  -5.008   8.210  -5.546
    8   2HG2  VAL   1          2HG2      VAL   1  -5.422   8.807  -3.939
    9   3HG2  VAL   1          3HG2      VAL   1  -6.660   8.721  -5.193
   10    H    VAL   2           H        VAL   2  -5.680   5.705  -1.374
   11    HA   VAL   2           HA       VAL   2  -5.356   8.176   0.282
   12    HB   VAL   2           HB       VAL   2  -5.141   5.208   0.875
   13   1HG1  VAL   2          1HG1      VAL   2  -4.117   5.711   2.818
   14   2HG1  VAL   2          2HG1      VAL   2  -5.310   6.958   3.180
   15   3HG1  VAL   2          3HG1      VAL   2  -3.893   7.349   2.206
   16   1HG2  VAL   2          1HG2      VAL   2  -7.296   7.182   0.937
   17   2HG2  VAL   2          2HG2      VAL   2  -7.063   6.407   2.503
   18   3HG2  VAL   2          3HG2      VAL   2  -7.386   5.425   1.073
   19    H    HIS   3           H        HIS   3  -3.249   8.804   0.930
   20    HA   HIS   3           HA       HIS   3  -1.061   8.111  -0.832
   21   1HB   HIS   3          2HB       HIS   3  -1.656  10.251   0.584
   22   2HB   HIS   3          1HB       HIS   3  -0.764   9.422   1.861
   23    HD1  HIS   3           HD1      HIS   3  -0.013   9.557  -1.876
   24    HD2  HIS   3           HD2      HIS   3   1.726  10.633   1.758
   25    HE1  HIS   3           HE1      HIS   3   2.315  10.395  -2.416
   26    H    CYS   4           H        CYS   4  -1.079   5.716  -0.458
   27    HA   CYS   4           HA       CYS   4  -0.746   4.252   1.840
   28   1HB   CYS   4          2HB       CYS   4  -0.560   3.704  -0.733
   29   2HB   CYS   4          1HB       CYS   4   1.173   3.850  -0.441
   30    H    ASP   5           H        ASP   5   1.982   5.851   0.130
   31    HA   ASP   5           HA       ASP   5   3.332   6.206   2.764
   32   1HB   ASP   5          2HB       ASP   5   3.857   4.051   1.187
   33   2HB   ASP   5          1HB       ASP   5   5.013   5.209   0.530
   34    H    MET   6           H        MET   6   5.836   6.879   1.286
   35    HA   MET   6           HA       MET   6   5.241   9.687   0.758
   36   1HB   MET   6          2HB       MET   6   7.286   9.174   1.844
   37   2HB   MET   6          1HB       MET   6   7.666   7.887   0.698
   38   1HG   MET   6          2HG       MET   6   8.663   9.331  -0.722
   39   2HG   MET   6          1HG       MET   6   7.304  10.452  -0.642
   40   1HE   MET   6          1HE       MET   6   9.966  11.324  -1.147
   41   2HE   MET   6          2HE       MET   6  11.028  10.399  -0.088
   42   3HE   MET   6          3HE       MET   6  10.871  12.140   0.136
   43    H    GLU   7           H        GLU   7   5.976   6.822  -1.206
   44    HA   GLU   7           HA       GLU   7   5.446   8.480  -3.652
   45   1HB   GLU   7          2HB       GLU   7   7.783   7.114  -2.834
   46   2HB   GLU   7          1HB       GLU   7   7.087   6.149  -4.137
   47   1HG   GLU   7          2HG       GLU   7   8.252   7.644  -5.435
   48   2HG   GLU   7          1HG       GLU   7   6.786   8.598  -5.217
   49    H    VAL   8           H        VAL   8   3.800   6.528  -1.863
   50    HA   VAL   8           HA       VAL   8   2.867   4.780  -4.120
   51    HB   VAL   8           HB       VAL   8   2.852   4.153  -1.153
   52   1HG1  VAL   8          1HG1      VAL   8   1.721   2.299  -1.753
   53   2HG1  VAL   8          2HG1      VAL   8   2.927   1.912  -2.980
   54   3HG1  VAL   8          3HG1      VAL   8   1.574   2.972  -3.376
   55   1HG2  VAL   8          1HG2      VAL   8   5.162   4.468  -2.224
   56   2HG2  VAL   8          2HG2      VAL   8   4.776   3.061  -3.215
   57   3HG2  VAL   8          3HG2      VAL   8   4.863   2.908  -1.459
   58    H    ILE   9           H        ILE   9   0.544   4.455  -4.186
   59    HA   ILE   9           HA       ILE   9  -1.090   6.062  -2.281
   60    HB   ILE   9           HB       ILE   9  -0.457   7.518  -4.166
   61   1HG1  ILE   9          2HG1      ILE   9  -3.057   7.444  -5.135
   62   2HG1  ILE   9          1HG1      ILE   9  -3.204   6.700  -3.543
   63   1HG2  ILE   9          1HG2      ILE   9  -0.619   6.891  -6.373
   64   2HG2  ILE   9          2HG2      ILE   9  -2.021   5.861  -6.088
   65   3HG2  ILE   9          3HG2      ILE   9  -0.407   5.288  -5.671
   66   1HD1  ILE   9          1HD1      ILE   9  -3.235   9.386  -3.939
   67   2HD1  ILE   9          2HD1      ILE   9  -1.511   9.131  -3.667
   68   3HD1  ILE   9          3HD1      ILE   9  -2.681   8.634  -2.443
   69    H    CYS  10           H        CYS  10  -2.340   4.357  -1.520
   70    HA   CYS  10           HA       CYS  10  -3.760   2.682  -3.568
   71   1HB   CYS  10          2HB       CYS  10  -2.685   2.073  -0.799
   72   2HB   CYS  10          1HB       CYS  10  -3.779   0.987  -1.657
   73    HA   PRO  11           HA       PRO  11  -7.485   4.158  -1.804
   74   1HB   PRO  11          2HB       PRO  11  -9.133   1.983  -2.030
   75   2HB   PRO  11          1HB       PRO  11  -8.638   2.985  -3.408
   76   1HG   PRO  11          2HG       PRO  11  -7.652   0.329  -2.557
   77   2HG   PRO  11          1HG       PRO  11  -7.838   0.997  -4.180
   78   1HD   PRO  11          2HD       PRO  11  -5.438   0.791  -2.837
   79   2HD   PRO  11          1HD       PRO  11  -5.759   1.920  -4.171
   80    H    ASP  12           H        ASP  12  -8.818   4.063   0.099
   81    HA   ASP  12           HA       ASP  12  -7.625   3.368   2.509
   82   1HB   ASP  12          2HB       ASP  12  -9.904   4.584   1.689
   83   2HB   ASP  12          1HB       ASP  12 -10.574   3.091   2.350
   84    H    GLY  13           H        GLY  13  -9.165   1.188   0.272
   85   1HA   GLY  13          2HA       GLY  13  -9.565  -0.890   2.323
   86   2HA   GLY  13          1HA       GLY  13  -9.918  -1.055   0.601
   87    H    TYR  14           H        TYR  14  -6.826   0.116   1.843
   88    HA   TYR  14           HA       TYR  14  -5.572  -2.506   1.148
   89   1HB   TYR  14          2HB       TYR  14  -5.235   0.187  -0.106
   90   2HB   TYR  14          1HB       TYR  14  -3.806  -0.835   0.036
   91    HD1  TYR  14           HD1      TYR  14  -3.414  -2.528  -1.535
   92    HD2  TYR  14           HD2      TYR  14  -7.366  -0.913  -1.101
   93    HE1  TYR  14           HE1      TYR  14  -4.167  -3.859  -3.487
   94    HE2  TYR  14           HE2      TYR  14  -8.125  -2.245  -3.054
   95    HH   TYR  14           HH       TYR  14  -6.701  -4.793  -4.205
   96    H    THR  15           H        THR  15  -3.336  -2.654   1.964
   97    HA   THR  15           HA       THR  15  -2.750  -0.792   4.239
   98    HB   THR  15           HB       THR  15  -3.614  -2.806   5.192
   99    HG1  THR  15           HG1      THR  15  -0.793  -3.033   5.018
  100   1HG2  THR  15          1HG2      THR  15  -2.233  -4.980   4.319
  101   2HG2  THR  15          2HG2      THR  15  -2.285  -4.016   2.843
  102   3HG2  THR  15          3HG2      THR  15  -3.785  -4.475   3.650
  103    H    CYS  16           H        CYS  16  -0.834   0.207   3.768
  104    HA   CYS  16           HA       CYS  16   0.942  -0.443   1.686
  105   1HB   CYS  16          2HB       CYS  16   0.696   1.396   3.843
  106   2HB   CYS  16          1HB       CYS  16   2.340   0.758   3.889
  107    H    CYS  17           H        CYS  17   2.484  -2.000   1.455
  108    HA   CYS  17           HA       CYS  17   3.694  -3.247   3.877
  109   1HB   CYS  17          2HB       CYS  17   1.610  -4.364   2.337
  110   2HB   CYS  17          1HB       CYS  17   3.073  -5.214   1.836
  111    HG   CYS  17           HG       CYS  17   2.214  -6.448   3.956
  112    H    ARG  18           H        ARG  18   5.886  -3.478   3.552
  113    HA   ARG  18           HA       ARG  18   7.046  -2.747   0.962
  114   1HB   ARG  18          2HB       ARG  18   7.811  -3.036   3.763
  115   2HB   ARG  18          1HB       ARG  18   9.041  -3.687   2.680
  116   1HG   ARG  18          2HG       ARG  18   8.128  -1.246   1.539
  117   2HG   ARG  18          1HG       ARG  18   8.447  -0.938   3.246
  118   1HD   ARG  18          2HD       ARG  18  10.640  -2.409   2.663
  119   2HD   ARG  18          1HD       ARG  18  10.350  -1.668   1.076
  120    HE   ARG  18           HE       ARG  18  10.020   0.455   2.780
  121   1HH1  ARG  18          2HH1      ARG  18  12.552  -0.884   1.192
  122   2HH1  ARG  18          1HH1      ARG  18  13.792  -0.355   2.280
  123   1HH2  ARG  18          1HH2      ARG  18  11.571   0.677   4.733
  124   2HH2  ARG  18          2HH2      ARG  18  13.237   0.528   4.284
  125    H    LEU  19           H        LEU  19   7.750  -4.180  -0.578
  126    HA   LEU  19           HA       LEU  19   7.129  -6.968  -0.475
  127   1HB   LEU  19          2HB       LEU  19   8.177  -5.005  -2.267
  128   2HB   LEU  19          1HB       LEU  19   9.259  -6.397  -2.308
  129    HG   LEU  19           HG       LEU  19   6.751  -7.568  -2.307
  130   1HD1  LEU  19          1HD1      LEU  19   6.699  -5.170  -4.164
  131   2HD1  LEU  19          2HD1      LEU  19   5.767  -5.295  -2.671
  132   3HD1  LEU  19          3HD1      LEU  19   5.449  -6.404  -4.005
  133   1HD2  LEU  19          1HD2      LEU  19   9.036  -7.575  -3.846
  134   2HD2  LEU  19          2HD2      LEU  19   7.833  -6.955  -4.979
  135   3HD2  LEU  19          3HD2      LEU  19   7.587  -8.517  -4.198
  136    HA   PRO  20           HA       PRO  20  10.684  -8.643   1.503
  137   1HB   PRO  20          2HB       PRO  20  10.955 -11.028   0.199
  138   2HB   PRO  20          1HB       PRO  20   9.633 -10.695   1.335
  139   1HG   PRO  20          2HG       PRO  20   9.605 -10.782  -1.619
  140   2HG   PRO  20          1HG       PRO  20   8.326 -11.174  -0.462
  141   1HD   PRO  20          2HD       PRO  20   8.527  -8.817  -1.940
  142   2HD   PRO  20          1HD       PRO  20   7.505  -9.067  -0.509
  143    H    SER  21           H        SER  21  11.401  -6.780  -0.610
  144    HA   SER  21           HA       SER  21  14.115  -7.681  -1.154
  145   1HB   SER  21          2HB       SER  21  11.941  -8.153  -3.044
  146   2HB   SER  21          1HB       SER  21  13.235  -7.199  -3.760
  147    HG   SER  21           HG       SER  21  13.291  -9.694  -3.629
  148    H    GLY  22           H        GLY  22  12.603  -5.328  -0.039
  149   1HA   GLY  22          2HA       GLY  22  13.051  -3.015   0.032
  150   2HA   GLY  22          1HA       GLY  22  14.215  -3.248  -1.274
  151    H    ALA  23           H        ALA  23  10.666  -3.511  -0.850
  152    HA   ALA  23           HA       ALA  23  10.283  -1.657  -3.135
  153   1HB   ALA  23          1HB       ALA  23  10.048  -4.576  -3.194
  154   2HB   ALA  23          2HB       ALA  23  10.097  -3.433  -4.537
  155   3HB   ALA  23          3HB       ALA  23   8.570  -3.770  -3.720
  156    H    TRP  24           H        TRP  24   7.829  -1.266  -3.416
  157    HA   TRP  24           HA       TRP  24   6.508  -1.383  -0.723
  158   1HB   TRP  24          2HB       TRP  24   6.877   0.687  -2.815
  159   2HB   TRP  24          1HB       TRP  24   5.276   0.639  -2.072
  160    HD1  TRP  24           HD1      TRP  24   8.122   2.572  -1.634
  161    HE1  TRP  24           HE1      TRP  24   8.592   3.208   0.820
  162    HE3  TRP  24           HE3      TRP  24   5.216  -0.887   0.744
  163    HZ2  TRP  24           HZ2      TRP  24   7.834   2.359   3.445
  164    HZ3  TRP  24           HZ3      TRP  24   5.108  -0.953   3.217
  165    HH2  TRP  24           HH2      TRP  24   6.413   0.665   4.571
  166    H    GLY  25           H        GLY  25   4.276  -1.909  -0.677
  167   1HA   GLY  25          2HA       GLY  25   2.678  -2.283  -3.044
  168   2HA   GLY  25          1HA       GLY  25   3.293  -3.833  -2.464
  169    H    CYS  26           H        CYS  26   0.643  -1.939  -2.287
  170    HA   CYS  26           HA       CYS  26   0.103  -2.394   0.603
  171   1HB   CYS  26          2HB       CYS  26  -1.865  -0.953   0.098
  172   2HB   CYS  26          1HB       CYS  26  -0.353  -0.197  -0.403
  173    H    CYS  27           H        CYS  27  -1.162  -4.089   1.257
  174    HA   CYS  27           HA       CYS  27  -2.483  -5.749  -0.843
  175   1HB   CYS  27          2HB       CYS  27  -0.953  -6.215   1.509
  176   2HB   CYS  27          1HB       CYS  27  -2.576  -6.830   1.827
  177    HG   CYS  27           HG       CYS  27  -1.010  -8.626   0.540
  178    HA   PRO  28           HA       PRO  28  -6.458  -4.347   0.387
  179   1HB   PRO  28          2HB       PRO  28  -7.952  -6.566  -0.195
  180   2HB   PRO  28          1HB       PRO  28  -7.315  -5.471  -1.439
  181   1HG   PRO  28          2HG       PRO  28  -6.260  -8.104  -0.518
  182   2HG   PRO  28          1HG       PRO  28  -6.364  -7.442  -2.157
  183   1HD   PRO  28          2HD       PRO  28  -4.058  -7.470  -0.734
  184   2HD   PRO  28          1HD       PRO  28  -4.438  -6.207  -1.927
  185    H    PHE  29           H        PHE  29  -7.805  -4.452   2.212
  186    HA   PHE  29           HA       PHE  29  -6.888  -6.209   4.401
  187   1HB   PHE  29          2HB       PHE  29  -7.720  -3.612   4.209
  188   2HB   PHE  29          1HB       PHE  29  -9.205  -4.395   4.748
  189    HD1  PHE  29           HD1      PHE  29  -6.428  -2.743   5.937
  190    HD2  PHE  29           HD2      PHE  29  -8.615  -6.382   6.590
  191    HE1  PHE  29           HE1      PHE  29  -5.527  -2.871   8.244
  192    HE2  PHE  29           HE2      PHE  29  -7.713  -6.510   8.896
  193    HZ   PHE  29           HZ       PHE  29  -6.169  -4.756   9.724
  194    H    THR  30           H        THR  30  -7.844  -8.178   4.681
  195    HA   THR  30           HA       THR  30 -10.781  -8.426   4.220
  196    HB   THR  30           HB       THR  30  -9.488  -9.082   2.174
  197    HG1  THR  30           HG1      THR  30 -10.944 -10.553   1.903
  198   1HG2  THR  30          1HG2      THR  30  -7.956 -10.507   4.206
  199   2HG2  THR  30          2HG2      THR  30  -7.514 -10.108   2.546
  200   3HG2  THR  30          3HG2      THR  30  -8.448 -11.565   2.883
  201    H    GLN  31           H        GLN  31  -9.225  -8.297   6.683
  202    HA   GLN  31           HA       GLN  31  -9.155 -11.099   7.671
  203   1HB   GLN  31          2HB       GLN  31  -7.823  -8.598   8.183
  204   2HB   GLN  31          1HB       GLN  31  -8.552  -9.179   9.681
  205   1HG   GLN  31          2HG       GLN  31  -6.782 -10.564   9.877
  206   2HG   GLN  31          1HG       GLN  31  -7.451 -11.469   8.519
  207   1HE2  GLN  31          1HE2      GLN  31  -7.025  -9.349   6.525
  208   2HE2  GLN  31          2HE2      GLN  31  -5.349  -9.251   6.266
  Start of MODEL    9
    1    H    VAL   1           H        VAL   1  -8.584   9.541  -0.729
    2    HA   VAL   1           HA       VAL   1  -7.321   7.402  -0.626
    3    HB   VAL   1           HB       VAL   1  -5.143   8.234  -1.633
    4   1HG1  VAL   1          1HG1      VAL   1  -7.665   9.584  -2.645
    5   2HG1  VAL   1          2HG1      VAL   1  -7.231   7.903  -2.961
    6   3HG1  VAL   1          3HG1      VAL   1  -6.229   9.209  -3.595
    7   1HG2  VAL   1          1HG2      VAL   1  -6.390  10.875  -0.821
    8   2HG2  VAL   1          2HG2      VAL   1  -5.119  10.747  -2.037
    9   3HG2  VAL   1          3HG2      VAL   1  -4.800  10.255  -0.374
   10    H    VAL   2           H        VAL   2  -4.967   6.642   0.049
   11    HA   VAL   2           HA       VAL   2  -4.276   7.731   2.753
   12    HB   VAL   2           HB       VAL   2  -4.866   4.891   1.883
   13   1HG1  VAL   2          1HG1      VAL   2  -3.058   5.902   3.981
   14   2HG1  VAL   2          2HG1      VAL   2  -3.150   4.298   3.252
   15   3HG1  VAL   2          3HG1      VAL   2  -4.254   4.741   4.555
   16   1HG2  VAL   2          1HG2      VAL   2  -6.237   6.973   3.387
   17   2HG2  VAL   2          2HG2      VAL   2  -6.038   5.513   4.356
   18   3HG2  VAL   2          3HG2      VAL   2  -6.860   5.431   2.798
   19    H    HIS   3           H        HIS   3  -2.490   8.715   1.434
   20    HA   HIS   3           HA       HIS   3  -0.608   7.485  -0.172
   21   1HB   HIS   3          2HB       HIS   3   1.014   9.093   1.095
   22   2HB   HIS   3          1HB       HIS   3  -0.374   9.789   0.262
   23    HD1  HIS   3           HD1      HIS   3  -0.678   7.974   3.556
   24    HD2  HIS   3           HD2      HIS   3  -0.777  11.885   2.115
   25    HE1  HIS   3           HE1      HIS   3  -1.484   9.423   5.471
   26    H    CYS   4           H        CYS   4   0.321   5.502   0.152
   27    HA   CYS   4           HA       CYS   4   0.792   4.364   2.785
   28   1HB   CYS   4          2HB       CYS   4   1.229   3.691  -0.089
   29   2HB   CYS   4          1HB       CYS   4   2.207   2.817   1.092
   30    H    ASP   5           H        ASP   5   2.621   6.332   0.566
   31    HA   ASP   5           HA       ASP   5   4.788   6.632   2.529
   32   1HB   ASP   5          2HB       ASP   5   6.503   5.712   1.066
   33   2HB   ASP   5          1HB       ASP   5   5.233   4.501   1.248
   34    H    MET   6           H        MET   6   6.435   7.377  -0.060
   35    HA   MET   6           HA       MET   6   5.645  10.192  -0.055
   36   1HB   MET   6          2HB       MET   6   7.975   9.631  -0.130
   37   2HB   MET   6          1HB       MET   6   7.729   8.510  -1.469
   38   1HG   MET   6          2HG       MET   6   6.712  11.075  -2.241
   39   2HG   MET   6          1HG       MET   6   8.345  11.288  -1.608
   40   1HE   MET   6          1HE       MET   6   8.085  11.010  -5.673
   41   2HE   MET   6          2HE       MET   6   8.325  12.161  -4.360
   42   3HE   MET   6          3HE       MET   6   6.753  11.394  -4.574
   43    H    GLU   7           H        GLU   7   5.597   7.511  -2.414
   44    HA   GLU   7           HA       GLU   7   3.766   9.167  -4.124
   45   1HB   GLU   7          2HB       GLU   7   5.923   8.848  -5.177
   46   2HB   GLU   7          1HB       GLU   7   5.906   7.126  -4.799
   47   1HG   GLU   7          2HG       GLU   7   5.129   6.962  -6.947
   48   2HG   GLU   7          1HG       GLU   7   3.582   7.310  -6.175
   49    H    VAL   8           H        VAL   8   4.708   5.733  -3.692
   50    HA   VAL   8           HA       VAL   8   2.478   4.432  -4.653
   51    HB   VAL   8           HB       VAL   8   4.561   3.997  -2.624
   52   1HG1  VAL   8          1HG1      VAL   8   2.859   3.357  -1.097
   53   2HG1  VAL   8          2HG1      VAL   8   3.392   1.844  -1.827
   54   3HG1  VAL   8          3HG1      VAL   8   1.893   2.601  -2.363
   55   1HG2  VAL   8          1HG2      VAL   8   3.641   2.943  -5.127
   56   2HG2  VAL   8          2HG2      VAL   8   3.753   1.621  -3.966
   57   3HG2  VAL   8          3HG2      VAL   8   5.165   2.625  -4.298
   58    H    ILE   9           H        ILE   9   0.324   4.528  -4.192
   59    HA   ILE   9           HA       ILE   9  -0.591   5.008  -1.415
   60    HB   ILE   9           HB       ILE   9  -0.287   7.248  -2.329
   61   1HG1  ILE   9          2HG1      ILE   9  -3.237   6.654  -2.602
   62   2HG1  ILE   9          1HG1      ILE   9  -2.425   6.586  -1.038
   63   1HG2  ILE   9          1HG2      ILE   9  -1.946   7.673  -4.400
   64   2HG2  ILE   9          2HG2      ILE   9  -1.559   5.979  -4.707
   65   3HG2  ILE   9          3HG2      ILE   9  -0.268   7.178  -4.628
   66   1HD1  ILE   9          1HD1      ILE   9  -3.054   8.804  -1.017
   67   2HD1  ILE   9          2HD1      ILE   9  -2.998   8.945  -2.774
   68   3HD1  ILE   9          3HD1      ILE   9  -1.502   8.964  -1.840
   69    H    CYS  10           H        CYS  10  -2.670   4.130  -1.073
   70    HA   CYS  10           HA       CYS  10  -3.826   2.634  -3.396
   71   1HB   CYS  10          2HB       CYS  10  -3.159   2.029  -0.668
   72   2HB   CYS  10          1HB       CYS  10  -4.897   1.817  -0.887
   73    HA   PRO  11           HA       PRO  11  -7.499   5.027  -3.088
   74   1HB   PRO  11          2HB       PRO  11  -9.348   3.227  -3.979
   75   2HB   PRO  11          1HB       PRO  11  -8.152   3.989  -5.046
   76   1HG   PRO  11          2HG       PRO  11  -8.203   1.254  -3.912
   77   2HG   PRO  11          1HG       PRO  11  -7.565   1.828  -5.458
   78   1HD   PRO  11          2HD       PRO  11  -6.049   1.226  -3.209
   79   2HD   PRO  11          1HD       PRO  11  -5.508   2.205  -4.588
   80    H    ASP  12           H        ASP  12  -6.773   3.873  -0.531
   81    HA   ASP  12           HA       ASP  12  -7.768   3.489   1.559
   82   1HB   ASP  12          2HB       ASP  12 -10.367   4.009   0.105
   83   2HB   ASP  12          1HB       ASP  12  -9.991   4.320   1.800
   84    H    GLY  13           H        GLY  13  -8.369   1.641   2.566
   85   1HA   GLY  13          2HA       GLY  13  -9.713  -0.368   2.831
   86   2HA   GLY  13          1HA       GLY  13  -9.995  -0.366   1.089
   87    H    TYR  14           H        TYR  14  -6.781   0.355   1.580
   88    HA   TYR  14           HA       TYR  14  -5.998  -2.537   1.378
   89   1HB   TYR  14          2HB       TYR  14  -5.075  -0.073  -0.125
   90   2HB   TYR  14          1HB       TYR  14  -4.210  -1.608  -0.184
   91    HD1  TYR  14           HD1      TYR  14  -5.432  -3.679  -0.988
   92    HD2  TYR  14           HD2      TYR  14  -7.037   0.283  -1.424
   93    HE1  TYR  14           HE1      TYR  14  -7.002  -4.507  -2.721
   94    HE2  TYR  14           HE2      TYR  14  -8.607  -0.545  -3.156
   95    HH   TYR  14           HH       TYR  14  -9.665  -2.767  -3.769
   96    H    THR  15           H        THR  15  -3.670  -2.888   2.013
   97    HA   THR  15           HA       THR  15  -2.867  -0.986   4.189
   98    HB   THR  15           HB       THR  15  -3.644  -3.312   4.798
   99    HG1  THR  15           HG1      THR  15  -2.323  -2.436   6.269
  100   1HG2  THR  15          1HG2      THR  15  -2.762  -5.147   3.818
  101   2HG2  THR  15          2HG2      THR  15  -1.115  -4.545   4.001
  102   3HG2  THR  15          3HG2      THR  15  -2.088  -4.044   2.619
  103    H    CYS  16           H        CYS  16  -0.708  -0.316   4.243
  104    HA   CYS  16           HA       CYS  16   0.817  -0.513   1.762
  105   1HB   CYS  16          2HB       CYS  16   1.654   0.588   4.458
  106   2HB   CYS  16          1HB       CYS  16   2.243   1.078   2.870
  107    H    CYS  17           H        CYS  17   1.609  -2.626   1.462
  108    HA   CYS  17           HA       CYS  17   3.190  -3.821   3.706
  109   1HB   CYS  17          2HB       CYS  17   1.300  -4.778   1.731
  110   2HB   CYS  17          1HB       CYS  17   2.821  -5.659   1.595
  111    HG   CYS  17           HG       CYS  17   1.214  -6.732   3.465
  112    H    ARG  18           H        ARG  18   5.388  -4.014   3.441
  113    HA   ARG  18           HA       ARG  18   6.583  -3.061   0.896
  114   1HB   ARG  18          2HB       ARG  18   7.207  -3.108   3.735
  115   2HB   ARG  18          1HB       ARG  18   8.562  -3.717   2.784
  116   1HG   ARG  18          2HG       ARG  18   7.501  -1.444   1.424
  117   2HG   ARG  18          1HG       ARG  18   7.719  -1.005   3.119
  118   1HD   ARG  18          2HD       ARG  18  10.057  -2.185   2.846
  119   2HD   ARG  18          1HD       ARG  18   9.785  -1.886   1.117
  120    HE   ARG  18           HE       ARG  18   9.364   0.379   2.992
  121   1HH1  ARG  18          1HH2      ARG  18   9.868  -0.053  -0.158
  122   2HH1  ARG  18          2HH2      ARG  18  11.342   0.847  -0.296
  123   1HH2  ARG  18          2HH1      ARG  18  11.847   1.053   3.129
  124   2HH2  ARG  18          1HH1      ARG  18  12.463   1.471   1.566
  125    H    LEU  19           H        LEU  19   7.956  -4.379  -0.369
  126    HA   LEU  19           HA       LEU  19   7.532  -7.269  -0.146
  127   1HB   LEU  19          2HB       LEU  19   8.244  -5.300  -2.094
  128   2HB   LEU  19          1HB       LEU  19   9.510  -6.531  -2.078
  129    HG   LEU  19           HG       LEU  19   7.370  -8.149  -1.985
  130   1HD1  LEU  19          1HD1      LEU  19   6.444  -5.548  -3.195
  131   2HD1  LEU  19          2HD1      LEU  19   5.610  -6.584  -2.037
  132   3HD1  LEU  19          3HD1      LEU  19   5.752  -7.082  -3.723
  133   1HD2  LEU  19          1HD2      LEU  19   7.974  -8.715  -4.129
  134   2HD2  LEU  19          2HD2      LEU  19   9.318  -7.628  -3.779
  135   3HD2  LEU  19          3HD2      LEU  19   7.927  -7.045  -4.694
  136    HA   PRO  20           HA       PRO  20  11.264  -8.319   1.900
  137   1HB   PRO  20          2HB       PRO  20  12.056 -10.575   0.573
  138   2HB   PRO  20          1HB       PRO  20  10.661 -10.536   1.668
  139   1HG   PRO  20          2HG       PRO  20  10.737 -10.476  -1.302
  140   2HG   PRO  20          1HG       PRO  20   9.583 -11.264  -0.216
  141   1HD   PRO  20          2HD       PRO  20   9.103  -8.900  -1.520
  142   2HD   PRO  20          1HD       PRO  20   8.304  -9.388  -0.011
  143    H    SER  21           H        SER  21  11.317  -7.094  -1.191
  144    HA   SER  21           HA       SER  21  14.314  -7.221  -1.339
  145   1HB   SER  21          2HB       SER  21  12.912  -6.456  -3.779
  146   2HB   SER  21          1HB       SER  21  14.058  -7.767  -3.521
  147    HG   SER  21           HG       SER  21  11.317  -7.784  -3.558
  148    H    GLY  22           H        GLY  22  12.641  -5.260   0.162
  149   1HA   GLY  22          2HA       GLY  22  12.670  -2.939   0.523
  150   2HA   GLY  22          1HA       GLY  22  13.956  -2.846  -0.682
  151    H    ALA  23           H        ALA  23  10.639  -4.059  -1.094
  152    HA   ALA  23           HA       ALA  23  10.219  -1.902  -3.141
  153   1HB   ALA  23          1HB       ALA  23   9.799  -4.849  -3.072
  154   2HB   ALA  23          2HB       ALA  23  10.262  -3.815  -4.424
  155   3HB   ALA  23          3HB       ALA  23   8.576  -3.901  -3.917
  156    H    TRP  24           H        TRP  24   7.650  -1.876  -3.597
  157    HA   TRP  24           HA       TRP  24   6.261  -1.817  -0.936
  158   1HB   TRP  24          2HB       TRP  24   6.729   0.221  -3.031
  159   2HB   TRP  24          1HB       TRP  24   5.081   0.162  -2.407
  160    HD1  TRP  24           HD1      TRP  24   8.078   1.949  -1.764
  161    HE1  TRP  24           HE1      TRP  24   8.282   2.707   0.692
  162    HE3  TRP  24           HE3      TRP  24   4.534  -1.038   0.379
  163    HZ2  TRP  24           HZ2      TRP  24   7.098   2.122   3.230
  164    HZ3  TRP  24           HZ3      TRP  24   4.094  -0.919   2.814
  165    HH2  TRP  24           HH2      TRP  24   5.369   0.656   4.241
  166    H    GLY  25           H        GLY  25   4.025  -2.368  -1.004
  167   1HA   GLY  25          2HA       GLY  25   2.690  -2.929  -3.540
  168   2HA   GLY  25          1HA       GLY  25   3.113  -4.386  -2.636
  169    H    CYS  26           H        CYS  26   0.437  -3.080  -3.239
  170    HA   CYS  26           HA       CYS  26  -0.514  -2.369  -0.515
  171   1HB   CYS  26          2HB       CYS  26  -1.166  -1.761  -3.243
  172   2HB   CYS  26          1HB       CYS  26  -2.587  -2.469  -2.474
  173    H    CYS  27           H        CYS  27  -1.641  -3.829   0.741
  174    HA   CYS  27           HA       CYS  27  -2.516  -6.389  -0.568
  175   1HB   CYS  27          2HB       CYS  27  -1.123  -5.730   2.016
  176   2HB   CYS  27          1HB       CYS  27  -2.082  -7.205   1.895
  177    HG   CYS  27           HG       CYS  27   0.078  -6.735  -0.288
  178    HA   PRO  28           HA       PRO  28  -6.508  -5.329   0.968
  179   1HB   PRO  28          2HB       PRO  28  -7.666  -7.808   0.856
  180   2HB   PRO  28          1HB       PRO  28  -7.349  -6.823  -0.587
  181   1HG   PRO  28          2HG       PRO  28  -5.830  -9.137   0.499
  182   2HG   PRO  28          1HG       PRO  28  -6.155  -8.686  -1.181
  183   1HD   PRO  28          2HD       PRO  28  -3.771  -8.239   0.093
  184   2HD   PRO  28          1HD       PRO  28  -4.357  -7.282  -1.285
  185    H    PHE  29           H        PHE  29  -7.725  -5.532   2.943
  186    HA   PHE  29           HA       PHE  29  -6.930  -7.548   4.941
  187   1HB   PHE  29          2HB       PHE  29  -5.403  -5.305   4.738
  188   2HB   PHE  29          1HB       PHE  29  -6.627  -4.750   5.881
  189    HD1  PHE  29           HD1      PHE  29  -5.915  -4.937   8.089
  190    HD2  PHE  29           HD2      PHE  29  -4.860  -8.012   5.282
  191    HE1  PHE  29           HE1      PHE  29  -4.803  -6.211   9.902
  192    HE2  PHE  29           HE2      PHE  29  -3.747  -9.286   7.094
  193    HZ   PHE  29           HZ       PHE  29  -3.719  -8.386   9.405
  194    H    THR  30           H        THR  30  -9.437  -7.303   3.905
  195    HA   THR  30           HA       THR  30 -10.989  -5.739   5.942
  196    HB   THR  30           HB       THR  30 -11.207  -5.126   3.518
  197    HG1  THR  30           HG1      THR  30 -13.647  -5.801   3.611
  198   1HG2  THR  30          1HG2      THR  30 -11.215  -6.819   2.036
  199   2HG2  THR  30          2HG2      THR  30 -12.853  -7.191   2.572
  200   3HG2  THR  30          3HG2      THR  30 -11.476  -8.006   3.315
  201    H    GLN  31           H        GLN  31  -9.849  -8.483   6.268
  202    HA   GLN  31           HA       GLN  31 -11.805 -10.522   5.904
  203   1HB   GLN  31          2HB       GLN  31  -9.740 -10.187   8.105
  204   2HB   GLN  31          1HB       GLN  31 -10.439 -11.711   7.551
  205   1HG   GLN  31          2HG       GLN  31  -9.213 -10.025   5.443
  206   2HG   GLN  31          1HG       GLN  31  -8.090 -10.722   6.610
  207   1HE2  GLN  31          1HE2      GLN  31 -10.127 -11.435   3.881
  208   2HE2  GLN  31          2HE2      GLN  31  -9.835 -13.107   3.838
  Start of MODEL   10
    1    H    VAL   1           H        VAL   1  -6.727  10.641   0.385
    2    HA   VAL   1           HA       VAL   1  -6.184   8.378  -0.032
    3    HB   VAL   1           HB       VAL   1  -3.978   8.189  -1.343
    4   1HG1  VAL   1          1HG1      VAL   1  -5.911  10.290  -2.352
    5   2HG1  VAL   1          2HG1      VAL   1  -6.293   8.568  -2.316
    6   3HG1  VAL   1          3HG1      VAL   1  -4.959   9.156  -3.311
    7   1HG2  VAL   1          1HG2      VAL   1  -2.945  10.196  -0.264
    8   2HG2  VAL   1          2HG2      VAL   1  -4.130  11.210  -1.087
    9   3HG2  VAL   1          3HG2      VAL   1  -2.947  10.298  -2.025
   10    H    VAL   2           H        VAL   2  -4.429   6.675   0.500
   11    HA   VAL   2           HA       VAL   2  -3.219   7.366   3.144
   12    HB   VAL   2           HB       VAL   2  -3.793   4.681   1.848
   13   1HG1  VAL   2          1HG1      VAL   2  -3.506   5.305   4.787
   14   2HG1  VAL   2          2HG1      VAL   2  -2.100   4.923   3.792
   15   3HG1  VAL   2          3HG1      VAL   2  -3.394   3.740   3.981
   16   1HG2  VAL   2          1HG2      VAL   2  -5.797   6.232   2.251
   17   2HG2  VAL   2          2HG2      VAL   2  -5.435   6.077   3.971
   18   3HG2  VAL   2          3HG2      VAL   2  -5.867   4.651   3.028
   19    H    HIS   3           H        HIS   3  -1.682   8.394   1.201
   20    HA   HIS   3           HA       HIS   3   0.134   6.898  -0.276
   21   1HB   HIS   3          2HB       HIS   3   1.518   8.851  -0.142
   22   2HB   HIS   3          1HB       HIS   3  -0.141   9.427   0.022
   23    HD1  HIS   3           HD1      HIS   3  -0.617   8.692   2.999
   24    HD2  HIS   3           HD2      HIS   3   2.811  10.609   1.599
   25    HE1  HIS   3           HE1      HIS   3   0.380   9.913   4.980
   26    H    CYS   4           H        CYS   4   1.670   5.392   0.252
   27    HA   CYS   4           HA       CYS   4   2.214   4.762   3.068
   28   1HB   CYS   4          2HB       CYS   4   3.443   3.672   0.516
   29   2HB   CYS   4          1HB       CYS   4   3.395   2.878   2.090
   30    H    ASP   5           H        ASP   5   3.873   6.259   0.331
   31    HA   ASP   5           HA       ASP   5   5.945   7.303   2.204
   32   1HB   ASP   5          2HB       ASP   5   6.516   5.050   1.001
   33   2HB   ASP   5          1HB       ASP   5   6.721   6.061  -0.430
   34    H    MET   6           H        MET   6   5.267   7.163  -1.315
   35    HA   MET   6           HA       MET   6   4.538   9.941  -1.545
   36   1HB   MET   6          2HB       MET   6   6.691  10.678  -2.622
   37   2HB   MET   6          1HB       MET   6   6.869  10.281  -0.913
   38   1HG   MET   6          2HG       MET   6   7.785   8.106  -1.445
   39   2HG   MET   6          1HG       MET   6   7.434   8.328  -3.159
   40   1HE   MET   6          1HE       MET   6   8.520  11.731  -3.312
   41   2HE   MET   6          2HE       MET   6   7.978  10.384  -4.309
   42   3HE   MET   6          3HE       MET   6   9.640  10.958  -4.443
   43    H    GLU   7           H        GLU   7   6.014   7.110  -3.091
   44    HA   GLU   7           HA       GLU   7   4.679   7.840  -5.668
   45   1HB   GLU   7          2HB       GLU   7   7.234   7.294  -5.272
   46   2HB   GLU   7          1HB       GLU   7   6.673   5.622  -5.291
   47   1HG   GLU   7          2HG       GLU   7   6.033   5.714  -7.514
   48   2HG   GLU   7          1HG       GLU   7   5.734   7.451  -7.464
   49    H    VAL   8           H        VAL   8   5.291   5.011  -3.547
   50    HA   VAL   8           HA       VAL   8   3.128   3.487  -4.854
   51    HB   VAL   8           HB       VAL   8   4.523   2.653  -2.328
   52   1HG1  VAL   8          1HG1      VAL   8   4.649   0.552  -3.980
   53   2HG1  VAL   8          2HG1      VAL   8   3.313   1.404  -4.753
   54   3HG1  VAL   8          3HG1      VAL   8   3.190   0.922  -3.062
   55   1HG2  VAL   8          1HG2      VAL   8   6.343   1.764  -4.023
   56   2HG2  VAL   8          2HG2      VAL   8   6.466   3.404  -3.387
   57   3HG2  VAL   8          3HG2      VAL   8   5.811   3.132  -5.002
   58    H    ILE   9           H        ILE   9   1.105   4.292  -4.285
   59    HA   ILE   9           HA       ILE   9   0.557   4.607  -1.349
   60    HB   ILE   9           HB       ILE   9   0.538   6.751  -2.398
   61   1HG1  ILE   9          2HG1      ILE   9  -1.616   5.851  -1.087
   62   2HG1  ILE   9          1HG1      ILE   9  -1.572   7.466  -1.785
   63   1HG2  ILE   9          1HG2      ILE   9  -1.095   5.438  -4.588
   64   2HG2  ILE   9          2HG2      ILE   9   0.561   6.030  -4.721
   65   3HG2  ILE   9          3HG2      ILE   9  -0.767   7.168  -4.489
   66   1HD1  ILE   9          1HD1      ILE   9  -2.816   4.994  -3.030
   67   2HD1  ILE   9          2HD1      ILE   9  -2.663   6.546  -3.850
   68   3HD1  ILE   9          3HD1      ILE   9  -3.669   6.406  -2.410
   69    H    CYS  10           H        CYS  10  -1.684   4.030  -0.730
   70    HA   CYS  10           HA       CYS  10  -2.960   2.089  -2.636
   71   1HB   CYS  10          2HB       CYS  10  -2.909   2.077   0.400
   72   2HB   CYS  10          1HB       CYS  10  -3.550   0.805  -0.640
   73    HA   PRO  11           HA       PRO  11  -6.575   4.539  -2.079
   74   1HB   PRO  11          2HB       PRO  11  -8.483   2.737  -2.840
   75   2HB   PRO  11          1HB       PRO  11  -7.377   3.525  -3.980
   76   1HG   PRO  11          2HG       PRO  11  -7.380   0.764  -2.975
   77   2HG   PRO  11          1HG       PRO  11  -6.730   1.419  -4.480
   78   1HD   PRO  11          2HD       PRO  11  -5.270   0.723  -2.164
   79   2HD   PRO  11          1HD       PRO  11  -4.664   1.578  -3.597
   80    H    ASP  12           H        ASP  12  -5.608   3.084   0.357
   81    HA   ASP  12           HA       ASP  12  -6.428   2.765   2.548
   82   1HB   ASP  12          2HB       ASP  12  -7.875   4.718   1.538
   83   2HB   ASP  12          1HB       ASP  12  -9.153   3.503   1.520
   84    H    GLY  13           H        GLY  13  -9.012   1.780   0.257
   85   1HA   GLY  13          2HA       GLY  13 -10.183  -0.275   1.676
   86   2HA   GLY  13          1HA       GLY  13  -9.968  -0.349  -0.072
   87    H    TYR  14           H        TYR  14  -6.941  -0.256   0.371
   88    HA   TYR  14           HA       TYR  14  -6.666  -3.158   1.067
   89   1HB   TYR  14          2HB       TYR  14  -4.950  -1.364  -0.678
   90   2HB   TYR  14          1HB       TYR  14  -4.811  -3.116  -0.524
   91    HD1  TYR  14           HD1      TYR  14  -7.264  -0.439  -1.439
   92    HD2  TYR  14           HD2      TYR  14  -6.011  -4.513  -1.973
   93    HE1  TYR  14           HE1      TYR  14  -8.971  -0.732  -3.215
   94    HE2  TYR  14           HE2      TYR  14  -7.715  -4.805  -3.752
   95    HH   TYR  14           HH       TYR  14  -9.135  -2.423  -5.343
   96    H    THR  15           H        THR  15  -4.337  -3.661   1.804
   97    HA   THR  15           HA       THR  15  -3.521  -1.678   3.888
   98    HB   THR  15           HB       THR  15  -2.843  -3.567   5.146
   99    HG1  THR  15           HG1      THR  15  -2.548  -5.608   4.106
  100   1HG2  THR  15          1HG2      THR  15  -4.733  -5.006   5.206
  101   2HG2  THR  15          2HG2      THR  15  -5.048  -4.793   3.484
  102   3HG2  THR  15          3HG2      THR  15  -5.353  -3.467   4.607
  103    H    CYS  16           H        CYS  16  -1.449  -0.794   3.726
  104    HA   CYS  16           HA       CYS  16   0.106  -1.448   1.306
  105   1HB   CYS  16          2HB       CYS  16  -0.490   0.857   2.401
  106   2HB   CYS  16          1HB       CYS  16   0.894   0.515   3.441
  107    H    CYS  17           H        CYS  17   1.296  -3.322   1.564
  108    HA   CYS  17           HA       CYS  17   2.923  -3.637   4.058
  109   1HB   CYS  17          2HB       CYS  17   2.997  -5.997   3.383
  110   2HB   CYS  17          1HB       CYS  17   1.324  -5.437   3.369
  111    HG   CYS  17           HG       CYS  17   2.451  -6.693   1.049
  112    H    ARG  18           H        ARG  18   5.185  -3.645   3.861
  113    HA   ARG  18           HA       ARG  18   6.322  -2.615   1.383
  114   1HB   ARG  18          2HB       ARG  18   6.914  -2.473   4.039
  115   2HB   ARG  18          1HB       ARG  18   8.087  -3.679   3.503
  116   1HG   ARG  18          2HG       ARG  18   8.941  -2.180   1.799
  117   2HG   ARG  18          1HG       ARG  18   7.677  -1.000   2.143
  118   1HD   ARG  18          2HD       ARG  18   8.610  -0.955   4.552
  119   2HD   ARG  18          1HD       ARG  18  10.035  -1.768   3.874
  120    HE   ARG  18           HE       ARG  18   9.051   0.700   2.535
  121   1HH1  ARG  18          1HH2      ARG  18  10.642   0.739   5.268
  122   2HH1  ARG  18          2HH2      ARG  18  12.212   1.151   4.664
  123   1HH2  ARG  18          2HH1      ARG  18  11.410   0.476   1.359
  124   2HH2  ARG  18          1HH1      ARG  18  12.647   1.002   2.451
  125    H    LEU  19           H        LEU  19   7.436  -3.742  -0.172
  126    HA   LEU  19           HA       LEU  19   7.215  -6.636  -0.291
  127   1HB   LEU  19          2HB       LEU  19   7.811  -4.381  -1.967
  128   2HB   LEU  19          1HB       LEU  19   9.084  -5.585  -2.175
  129    HG   LEU  19           HG       LEU  19   7.018  -7.253  -2.270
  130   1HD1  LEU  19          1HD1      LEU  19   5.215  -5.767  -1.877
  131   2HD1  LEU  19          2HD1      LEU  19   5.199  -6.011  -3.624
  132   3HD1  LEU  19          3HD1      LEU  19   5.888  -4.535  -2.945
  133   1HD2  LEU  19          1HD2      LEU  19   7.146  -5.795  -4.807
  134   2HD2  LEU  19          2HD2      LEU  19   7.658  -7.441  -4.436
  135   3HD2  LEU  19          3HD2      LEU  19   8.742  -6.088  -4.115
  136    HA   PRO  20           HA       PRO  20  11.142  -7.865   1.252
  137   1HB   PRO  20          2HB       PRO  20  12.223  -9.440  -0.708
  138   2HB   PRO  20          1HB       PRO  20  10.848  -9.949   0.293
  139   1HG   PRO  20          2HG       PRO  20  10.875  -8.892  -2.488
  140   2HG   PRO  20          1HG       PRO  20   9.872 -10.163  -1.772
  141   1HD   PRO  20          2HD       PRO  20   8.995  -7.615  -2.223
  142   2HD   PRO  20          1HD       PRO  20   8.341  -8.674  -0.955
  143    H    SER  21           H        SER  21  11.027  -5.983  -1.606
  144    HA   SER  21           HA       SER  21  13.983  -5.505  -1.537
  145   1HB   SER  21          2HB       SER  21  13.041  -6.238  -3.678
  146   2HB   SER  21          1HB       SER  21  11.841  -4.951  -3.616
  147    HG   SER  21           HG       SER  21  13.822  -4.562  -4.891
  148    H    GLY  22           H        GLY  22  11.908  -4.346   0.328
  149   1HA   GLY  22          2HA       GLY  22  11.671  -2.255   1.386
  150   2HA   GLY  22          1HA       GLY  22  12.851  -1.604   0.247
  151    H    ALA  23           H        ALA  23  10.314  -3.238  -1.315
  152    HA   ALA  23           HA       ALA  23   9.267  -0.698  -2.380
  153   1HB   ALA  23          1HB       ALA  23   7.787  -2.705  -3.488
  154   2HB   ALA  23          2HB       ALA  23   9.227  -3.597  -2.996
  155   3HB   ALA  23          3HB       ALA  23   9.373  -2.221  -4.090
  156    H    TRP  24           H        TRP  24   6.645  -1.055  -2.774
  157    HA   TRP  24           HA       TRP  24   5.416  -1.767  -0.142
  158   1HB   TRP  24          2HB       TRP  24   5.471   0.830  -1.631
  159   2HB   TRP  24          1HB       TRP  24   4.014   0.420  -0.727
  160    HD1  TRP  24           HD1      TRP  24   7.146   2.145  -0.277
  161    HE1  TRP  24           HE1      TRP  24   7.800   2.313   2.209
  162    HE3  TRP  24           HE3      TRP  24   3.953  -1.309   1.714
  163    HZ2  TRP  24           HZ2      TRP  24   7.068   1.139   4.713
  164    HZ3  TRP  24           HZ3      TRP  24   3.951  -1.762   4.149
  165    HH2  TRP  24           HH2      TRP  24   5.504  -0.545   5.651
  166    H    GLY  25           H        GLY  25   3.261  -2.540  -0.338
  167   1HA   GLY  25          2HA       GLY  25   2.049  -2.554  -3.050
  168   2HA   GLY  25          1HA       GLY  25   2.337  -4.109  -2.269
  169    H    CYS  26           H        CYS  26  -0.251  -2.899  -2.995
  170    HA   CYS  26           HA       CYS  26  -1.443  -2.446  -0.284
  171   1HB   CYS  26          2HB       CYS  26  -2.715  -1.965  -2.987
  172   2HB   CYS  26          1HB       CYS  26  -3.145  -1.238  -1.440
  173    H    CYS  27           H        CYS  27  -2.063  -4.458   0.494
  174    HA   CYS  27           HA       CYS  27  -3.291  -6.421  -1.380
  175   1HB   CYS  27          2HB       CYS  27  -1.750  -6.433   1.107
  176   2HB   CYS  27          1HB       CYS  27  -3.143  -7.515   1.174
  177    HG   CYS  27           HG       CYS  27  -2.173  -8.923  -0.695
  178    HA   PRO  28           HA       PRO  28  -7.256  -5.145   0.136
  179   1HB   PRO  28          2HB       PRO  28  -8.723  -7.154  -0.998
  180   2HB   PRO  28          1HB       PRO  28  -8.098  -5.771  -1.916
  181   1HG   PRO  28          2HG       PRO  28  -7.056  -8.549  -1.736
  182   2HG   PRO  28          1HG       PRO  28  -7.118  -7.453  -3.125
  183   1HD   PRO  28          2HD       PRO  28  -4.860  -7.931  -1.659
  184   2HD   PRO  28          1HD       PRO  28  -5.153  -6.432  -2.569
  185    H    PHE  29           H        PHE  29  -8.693  -5.802   1.809
  186    HA   PHE  29           HA       PHE  29  -7.914  -8.329   3.230
  187   1HB   PHE  29          2HB       PHE  29  -7.594  -5.810   4.096
  188   2HB   PHE  29          1HB       PHE  29  -9.270  -6.043   4.594
  189    HD1  PHE  29           HD1      PHE  29  -5.851  -7.513   4.843
  190    HD2  PHE  29           HD2      PHE  29  -9.814  -7.352   6.492
  191    HE1  PHE  29           HE1      PHE  29  -5.088  -8.829   6.803
  192    HE2  PHE  29           HE2      PHE  29  -9.053  -8.668   8.452
  193    HZ   PHE  29           HZ       PHE  29  -6.690  -9.406   8.606
  194    H    THR  30           H        THR  30  -9.535  -9.721   2.424
  195    HA   THR  30           HA       THR  30 -12.315  -9.058   3.268
  196    HB   THR  30           HB       THR  30 -12.079  -8.353   0.931
  197    HG1  THR  30           HG1      THR  30 -13.555 -10.630   1.580
  198   1HG2  THR  30          1HG2      THR  30 -10.680  -9.434  -0.452
  199   2HG2  THR  30          2HG2      THR  30 -11.682 -10.882  -0.347
  200   3HG2  THR  30          3HG2      THR  30 -10.372 -10.631   0.806
  201    H    GLN  31           H        GLN  31 -12.380 -10.723   4.806
  202    HA   GLN  31           HA       GLN  31 -11.626 -13.477   3.913
  203   1HB   GLN  31          2HB       GLN  31 -12.315 -12.586   6.716
  204   2HB   GLN  31          1HB       GLN  31 -11.274 -13.917   6.214
  205   1HG   GLN  31          2HG       GLN  31 -10.694 -10.953   6.103
  206   2HG   GLN  31          1HG       GLN  31  -9.783 -12.211   6.939
  207   1HE2  GLN  31          1HE2      GLN  31  -9.471 -14.159   4.972
  208   2HE2  GLN  31          2HE2      GLN  31  -8.604 -13.527   3.657