*HEADER    HYDROLASE                               24-SEP-00   1FWO              
*TITLE     THE SOLUTION STRUCTURE OF A 35-RESIDUE FRAGMENT FROM THE              
*TITLE    2 GRANULIN/EPITHELIN-LIKE SUBDOMAIN OF RICE ORYZAIN BETA (ROB          
*TITLE    3 382-416 (C398S,C399S,C407S,C413S))                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ORYZAIN BETA CHAIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL GRANULIN/EPITHELIN-LIKE EXTENSION               
*COMPND   5 (RESIDUES 382-416);                                                  
*COMPND   6 EC: 3.4.22.-;                                                        
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE NATURALLY OCCURS IN ORYZA SATIVA             
*SOURCE   5 (RICE).                                                              
*KEYWDS    BETA-HAIRPIN STACK FOLD, GRANULIN/EPITHELIN-LIKE PROTEIN              
*KEYWDS   2 REPEATS                                                              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, P.XU, F.NI                                              
*REVDAT   1   09-MAY-01 1FWO    0                                                
Unambiguous NOE interactions for ROB 382-416 (C398S,C399S,C407S,C413S) in XPLOR !format
assign (resid   8 and name HN   ) (resid   7 and name HD2# )    1.800    0.000    3.200
assign (resid   8 and name HD#  ) (resid   9 and name HN   )    1.800    0.000    3.200
assign (resid  10 and name HN   ) (resid   9 and name HB#  )    1.800    0.000    1.200
assign (resid  12 and name HN   ) (resid  11 and name HD#  )    1.800    0.000    3.200
assign (resid  11 and name HG#  ) (resid  12 and name HN   )    1.800    0.000    3.200
assign (resid  13 and name HN   ) (resid  12 and name HB#  )    1.800    0.000    1.700
assign (resid  14 and name HN   ) (resid  13 and name HN   )    1.800    0.000    1.200
assign (resid  15 and name HN   ) (resid  14 and name HA   )    1.800    0.000    1.200
assign (resid  16 and name HN   ) (resid  15 and name HG2# )    1.800    0.000    3.700
assign (resid  17 and name HN   ) (resid  16 and name HA   )    1.800    0.000    0.700
assign (resid  20 and name HN   ) (resid  19 and name HB#  )    1.800    0.000    1.700
assign (resid  21 and name HN   ) (resid  20 and name HD#  )    1.800    0.000    3.200
assign (resid  23 and name HN   ) (resid  22 and name HD#  )    1.800    0.000    3.200
assign (resid  22 and name HE#   ) (resid  23 and name HN   )    1.800    0.000    3.200
assign (resid  24 and name HN   ) (resid  23 and name HG#  )    1.800    0.000    3.200
assign (resid  24 and name HN   ) (resid  23 and name HB#  )    1.800    0.000    1.200
assign (resid  24 and name HN   ) (resid  25 and name HN   )    1.800    0.000    3.200
assign (resid  26 and name HN   ) (resid  25 and name HD#  )    1.800    0.000    3.700
assign (resid  26 and name HN   ) (resid  25 and name HB#  )    1.800    0.000    3.200
assign (resid  29 and name HN   ) (resid  28 and name HG#  )    1.800    0.000    3.700
assign (resid  29 and name HN   ) (resid  28 and name HA   )    1.800    0.000    1.200
assign (resid  30 and name HN   ) (resid  29 and name HA   )    1.800    0.000    1.200
assign (resid  30 and name HN   ) (resid  29 and name HE3  )    1.800    0.000    3.200
assign (resid  32 and name HN   ) (resid  31 and name HA   )    1.800    0.000    0.700
assign (resid  33 and name HD#  ) (resid  32 and name HA   )    1.800    0.000    3.200
assign (resid  34 and name HN   ) (resid  33 and name HD#  )    1.800    0.000    3.200
assign (resid  33 and name HG#  ) (resid  34 and name HN   )    1.800    0.000    3.700
assign (resid  35 and name HN   ) (resid  34 and name HG#  )    1.800    0.000    3.200
assign (resid  12 and name HB#  ) (resid  34 and name HG#  )    1.800    0.000    3.700
assign (resid  32 and name HN   ) (resid  15 and name HG2# )    1.800    0.000    3.700
assign (resid   6 and name HN   ) (resid   3 and name HG#  )    1.800    0.000    3.700
assign (resid  15 and name HN   ) (resid  10 and name HB#  )    1.800    0.000    3.200
assign (resid  32 and name HN   ) (resid  15 and name HN   )    1.800    0.000    1.200
assign (resid  32 and name HN   ) (resid  14 and name HB#  )    1.800    0.000    3.200
assign (resid  30 and name HN   ) (resid  17 and name HN   )    1.800    0.000    3.200
assign (resid  17 and name HN   ) (resid  29 and name HE3  )    1.800    0.000    3.200
assign (resid  30 and name HN   ) (resid  18 and name HA   )    1.800    0.000    3.200
assign (resid  32 and name HN   ) (resid  15 and name HA   )    1.800    0.000    3.200
assign (resid  24 and name HN   ) (resid  26 and name HN   )    1.800    0.000    3.200
assign (resid  29 and name HE3  ) (resid  18 and name HN   )    1.800    0.000    3.200
assign (resid  29 and name HE3  ) (resid  18 and name HA   )    1.800    0.000    3.200
assign (resid  29 and name HE3  ) (resid  16 and name HA   )    1.800    0.000    3.200
assign (resid  26 and name HN   ) (resid  24 and name HA   )    1.800    0.000    3.200
assign (resid  14 and name HN   ) (resid  12 and name HB#  )    1.800    0.000    3.700
assign (resid  20 and name HE#  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  29 and name HZ2  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  20 and name HD#  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  22 and name HE#   ) (resid  23 and name HG#  )    1.800    0.000    3.200
assign (resid  20 and name HE#  ) (resid  19 and name HB#  )    1.800    0.000    3.700
assign (resid  20 and name HD#  ) (resid  19 and name HB#  )    1.800    0.000    3.700
assign (resid  20 and name HD#  ) (resid  28 and name HB   )    1.800    0.000    3.200
assign (resid  20 and name HD#  ) (resid  24 and name HB#  )    1.800    0.000    3.200
assign (resid  22 and name HD#  ) (resid  23 and name HA   )    1.800    0.000    3.200
assign (resid  20 and name HD#  ) (resid  24 and name HA   )    1.800    0.000    3.200
assign (resid  29 and name HZ3  ) (resid  18 and name HA   )    1.800    0.000    3.200
assign (resid  20 and name HD#  ) (resid  26 and name HN   )    1.800    0.000    3.200
assign (resid  29 and name HZ3  ) (resid  17 and name HN   )    1.800    0.000    3.200
assign (resid  15 and name HN   ) (resid  33 and name HA   )    1.800    0.000    3.200
assign (resid  29 and name HZ2  ) (resid  27 and name HB#  )    1.800    0.000    3.200
assign (resid  29 and name HH2  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  15 and name HN   ) (resid  32 and name HB#  )    1.800    0.000    3.200
assign (resid  32 and name HN   ) (resid  15 and name HB   )    1.800    0.000    3.200
assign (resid  25 and name HD#  ) (resid  23 and name HE   )    1.800    0.000    3.700
assign (resid  32 and name HB#  ) (resid  15 and name HG2# )    1.800    0.000    3.700
assign (resid  18 and name HA   ) (resid  29 and name HB#  )    1.800    0.000    3.200
assign (resid   8 and name HB#  ) (resid   4 and name HB#  )    1.800    0.000    3.200
assign (resid  20 and name HB#  ) (resid  28 and name HB   )    1.800    0.000    3.200
assign (resid  31 and name HB#  ) (resid  10 and name HB#  )    1.800    0.000    3.200
assign (resid  23 and name HD#  ) (resid  25 and name HD#  )    1.800    0.000    3.700
assign (resid  20 and name HB#  ) (resid  19 and name HB#  )    1.800    0.000    3.700
assign (resid  20 and name HB#  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  33 and name HB#  ) (resid  34 and name HG#  )    1.800    0.000    3.700
assign (resid  28 and name HB   ) (resid  19 and name HB#  )    1.800    0.000    3.700
assign (resid  11 and name HG#  ) (resid  10 and name HA   )    1.800    0.000    3.200
assign (resid  11 and name HB#  ) (resid  10 and name HA   )    1.800    0.000    3.200
assign (resid  33 and name HG#  ) (resid  32 and name HA   )    1.800    0.000    3.200
assign (resid  34 and name HB   ) (resid  33 and name HA   )    1.800    0.000    3.200
assign (resid  19 and name HB#  ) (resid  18 and name HA   )    1.800    0.000    3.700
assign (resid  19 and name HB#  ) (resid  20 and name HA   )    1.800    0.000    3.700
assign (resid  34 and name HG#  ) (resid  33 and name HA   )    1.800    0.000    3.700
assign (resid  34 and name HG#  ) (resid  35 and name HA   )    1.800    0.000    3.700
assign (resid  19 and name HB#  ) (resid  28 and name HG#  )    1.800    0.000    3.700
assign (resid  19 and name HB#  ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  27 and name HD#  ) (resid  19 and name HA   )    1.800    0.000    3.700
assign (resid  18 and name HN   ) (resid  29 and name HZ3  )    1.800    0.000    3.200
assign (resid  20 and name HB#  ) (resid  19 and name HA   )    1.800    0.000    3.200
assign (resid  16 and name HB#  ) (resid  15 and name HA   )    1.800    0.000    3.200
assign (resid  25 and name HD#  ) (resid  20 and name HD#  )    1.800    0.000    3.700
assign (resid  15 and name HG2# ) (resid  16 and name HA   )    1.800    0.000    3.700
assign (resid  33 and name HB#  ) (resid  32 and name HA   )    1.800    0.000    3.200
assign (resid   2 and name HN   ) (resid  10 and name HB#  )    1.800    0.000    3.200
assign (resid  34 and name HB   ) (resid  13 and name HA#  )    1.800    0.000    3.200
assign (resid  34 and name HG#  ) (resid  13 and name HN   )    1.800    0.000    3.700
assign (resid  27 and name HD#  ) (resid  29 and name HB#  )    1.800    0.000    3.700
assign (resid  34 and name HG#  ) (resid  15 and name HN   )    1.800    0.000    3.700
assign (resid  15 and name HN   ) (resid  32 and name HA   )    1.800    0.000    3.200
assign (resid  28 and name HG#  ) (resid  20 and name HB#  )    1.800    0.000    3.700
assign (resid  12 and name HN   ) (resid  14 and name HN   )    1.800    0.000    3.200
assign (resid  25 and name HN   ) (resid  20 and name HB#  )    1.800    0.000    3.200
assign (resid  18 and name HN   ) (resid  19 and name HB#  )    1.800    0.000    3.700
assign (resid  26 and name HN   ) (resid  20 and name HE#  )    1.800    0.000    3.200
assign (resid  31 and name HB#  ) (resid  10 and name HA   )    1.800    0.000    3.200
assign (resid  11 and name HA   ) (resid  12 and name HB#  )    1.800    0.000    3.700
assign (resid  31 and name HN   ) (resid   8 and name HE#  )    1.800    0.000    3.200
assign (resid   2 and name HN   ) (resid   9 and name HB#  )    1.800    0.000    3.200
assign (resid   4 and name HN   ) (resid   9 and name HB#  )    1.800    0.000    3.200
assign (resid   2 and name HN   ) (resid  10 and name HN   )    1.800    0.000    3.200
assign (resid   4 and name HN   ) (resid   9 and name HA   )    1.800    0.000    3.200
assign (resid   6 and name HN   ) (resid   8 and name HN   )    1.800    0.000    3.200
assign (resid   2 and name HN   ) (resid  11 and name HA   )    1.800    0.000    3.200
assign (resid  29 and name HZ3  ) (resid  16 and name HB#  )    1.800    0.000    1.200
assign (resid   3 and name HA   ) (resid   9 and name HA   )    1.800    0.000    3.200
assign (resid  29 and name HE3  ) (resid  16 and name HB#  )    1.800    0.000    3.200
assign (resid   3 and name HG#  ) (resid   2 and name HA   )    1.800    0.000    3.700
assign (resid   6 and name HB#  ) (resid   8 and name HN   )    1.800    0.000    3.200
assign (resid   5 and name HA   ) (resid   3 and name HG#  )    1.800    0.000    3.700
assign (resid   4 and name HN   ) (resid   8 and name HN   )    1.800    0.000    3.200
assign (resid   2 and name HN   ) (resid  11 and name HB#  )    1.800    0.000    3.200
assign (resid   1 and name HB#  ) (resid   3 and name HG#  )    1.800    0.000    3.700
assign (resid   1 and name HA   ) (resid  11 and name HA   )    1.800    0.000    1.200
assign (resid   1 and name HB#  ) (resid   9 and name HB#  )    1.800    0.000    3.200
assign (resid   3 and name HG#  ) (resid   5 and name HB#  )    1.800    0.000    3.700
assign (resid   3 and name HA   ) (resid   9 and name HB#  )    1.800    0.000    3.200
assign (resid   4 and name HB#  ) (resid  29 and name HZ3  )    1.800    0.000    3.200
assign (resid   4 and name HB#  ) (resid  29 and name HE3  )    1.800    0.000    3.200
assign (resid   4 and name HA   ) (resid  29 and name HZ3  )    1.800    0.000    3.200
assign (resid   4 and name HA   ) (resid  29 and name HH2  )    1.800    0.000    3.200
assign (resid   5 and name HB#  ) (resid  29 and name HZ2  )    1.800    0.000    3.200
assign (resid   6 and name HA   ) (resid   7 and name HA   )    1.800    0.000    3.200
assign (resid  10 and name HB#  ) (resid  14 and name HB#  )    1.800    0.000    3.200
assign (resid  10 and name HB#  ) (resid  15 and name HA   )    1.800    0.000    3.200
assign (resid  12 and name HB#  ) (resid  13 and name HA#  )    1.800    0.000    3.700
assign (resid  14 and name HA   ) (resid  15 and name HG2# )    1.800    0.000    3.700
assign (resid  14 and name HB#  ) (resid  15 and name HG2# )    1.800    0.000    3.700
assign (resid  14 and name HB#  ) (resid  31 and name HA   )    1.800    0.000    3.200
assign (resid  14 and name HA   ) (resid  34 and name HG#  )    1.800    0.000    1.700
assign (resid  14 and name HB#  ) (resid  31 and name HB#  )    1.800    0.000    3.200
assign (resid  14 and name HA   ) (resid  33 and name HA   )    1.800    0.000    0.700
assign (resid  14 and name HA   ) (resid  34 and name HA   )    1.800    0.000    3.200
assign (resid  14 and name HB#  ) (resid  33 and name HA   )    1.800    0.000    3.200
assign (resid  15 and name HG2# ) (resid  34 and name HG#  )    1.800    0.000    3.700
assign (resid  19 and name HB#  ) (resid  27 and name HA   )    1.800    0.000    3.700
assign (resid  20 and name HA   ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  20 and name HB#  ) (resid  24 and name HA   )    1.800    0.000    3.200
assign (resid  20 and name HA   ) (resid  27 and name HA   )    1.800    0.000    3.200
assign (resid  20 and name HB#  ) (resid  27 and name HA   )    1.800    0.000    3.200
assign (resid  26 and name HB#  ) (resid  28 and name HG#  )    1.800    0.000    3.700
assign (resid  26 and name HB#  ) (resid  28 and name HB   )    1.800    0.000    3.200
assign (resid  33 and name HA   ) (resid  34 and name HA   )    1.800    0.000    3.200
assign (resid   3 and name HG#  ) (resid  10 and name HN   )    1.800    0.000    3.700
assign (resid   4 and name HB#  ) (resid   8 and name HD#  )    1.800    0.000    3.200
assign (resid   4 and name HB#  ) (resid   8 and name HE#  )    1.800    0.000    3.200
assign (resid   6 and name HA   ) (resid   8 and name HN   )    1.800    0.000    3.200
assign (resid  11 and name HB#  ) (resid  12 and name HB#  )    1.800    0.000    3.700
assign (resid  11 and name HG#  ) (resid  12 and name HB#  )    1.800    0.000    3.700
assign (resid  11 and name HB#  ) (resid  13 and name HN   )    1.800    0.000    3.200
assign (resid  11 and name HD#  ) (resid  13 and name HN   )    1.800    0.000    3.200
assign (resid  13 and name HA#  ) (resid  34 and name HG#  )    1.800    0.000    3.700
assign (resid  15 and name HG2# ) (resid  16 and name HB#  )    1.800    0.000    3.700
assign (resid  15 and name HN   ) (resid  31 and name HB#  )    1.800    0.000    3.200
assign (resid  16 and name HB#  ) (resid  29 and name HH2  )    1.800    0.000    3.200
assign (resid  17 and name HB#  ) (resid  29 and name HE3  )    1.800    0.000    3.200
assign (resid  17 and name HB#  ) (resid  19 and name HN   )    1.800    0.000    3.200
assign (resid  19 and name HN   ) (resid  27 and name HD#  )    1.800    0.000    3.700
assign (resid  19 and name HN   ) (resid  28 and name HG#  )    1.800    0.000    3.700
assign (resid  20 and name HD#  ) (resid  28 and name HG#  )    1.800    0.000    3.700
assign (resid  22 and name HD#  ) (resid  23 and name HG#  )    1.800    0.000    3.200
assign (resid  22 and name HD#  ) (resid  23 and name HB#  )    1.800    0.000    3.200
assign (resid  33 and name HA   ) (resid  35 and name HN   )    1.800    0.000    3.200
assign (resid   9 and name HB#  ) (resid   3 and name HG#  )    1.800    0.000    3.700
assign (resid  29 and name HZ2  ) (resid   5 and name HA   )    1.800    0.000    3.200
assign (resid  16 and name HA   ) (resid  31 and name HA   )    1.800    0.000    3.200
assign (resid   2 and name HD2  ) (resid  12 and name HB#  )    1.800    0.000    3.700
assign (resid  29 and name HE1  ) (resid   5 and name HB#   )    1.800    0.000    3.200
assign (resid  13 and name HN   ) (resid  11 and name HG#   )    1.800    0.000    3.200
assign (resid   8 and name HN   ) (resid   3 and name HG#   )    1.800    0.000    3.700
assign (resid  29 and name HD1  ) (resid  27 and name HD#   )    1.800    0.000    3.700
assign (resid  29 and name HD1  ) (resid  28 and name HB    )    1.800    0.000    3.200
assign (resid  29 and name HD1  ) (resid  28 and name HA    )    1.800    0.000    3.200
assign (resid  20 and name HD#  ) (resid  27 and name HA    )    1.800    0.000    3.200
assign (resid   2 and name HD2  ) (resid  12 and name HA    )    1.800    0.000    3.200
assign (resid   8 and name HE#  ) (resid  30 and name HA#   )    1.800    0.000    3.200
assign (resid   7 and name HD2# ) (resid  29 and name HN    )    1.800    0.000    3.200
assign (resid   4 and name HA   ) (resid   8 and name HB#   )    1.800    0.000    3.200
assign (resid  34 and name HG#  ) (resid  35 and name HG#   )    1.800    0.000    3.700
assign (resid  11 and name HG#  ) (resid  10 and name HB#   )    1.800    0.000    3.200
assign (resid   9 and name HA   ) (resid  10 and name HB#   )    1.800    0.000    3.200
assign (resid  22 and name HE#  ) (resid  25 and name HD#   )    1.800    0.000    3.700
assign (resid  34 and name HG#  ) (resid  14 and name HB#   )    1.800    0.000    3.700
assign (resid   6 and name HA   ) (resid   3 and name HG#   )    1.800    0.000    3.700
assign (resid  20 and name HB#  ) (resid  24 and name HN    )    1.800    0.000    3.200
assign (resid   8 and name HE#  ) (resid  31 and name HB#   )    1.800    0.000    3.200
assign (resid  29 and name HD1  ) (resid  19 and name HA    )    1.800    0.000    3.200
assign (resid   4 and name HA   ) (resid   3 and name HG#   )    1.800    0.000    3.700
assign (resid  21 and name HA#  ) (resid  25 and name HD#   )    1.800    0.000    3.700

#
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1 -13.227   7.115   0.721
    2   2H    ASP   1          2H        ASP   1 -12.114   8.146   1.488
    3   3H    ASP   1          3H        ASP   1 -12.666   6.749   2.280
    4    HA   ASP   1           HA       ASP   1 -11.573   5.352   0.605
    5   1HB   ASP   1          2HB       ASP   1 -10.127   6.585  -1.027
    6   2HB   ASP   1          1HB       ASP   1 -11.839   6.966  -1.215
    7    H    HIS   2           H        HIS   2  -9.273   4.801   0.878
    8    HA   HIS   2           HA       HIS   2  -8.102   6.100   3.292
    9   1HB   HIS   2          2HB       HIS   2  -8.643   3.533   2.801
   10   2HB   HIS   2          1HB       HIS   2  -7.063   3.592   2.025
   11    HD1  HIS   2           HD1      HIS   2  -7.045   5.979   4.736
   12    HD2  HIS   2           HD2      HIS   2  -6.541   1.849   4.458
   13    HE1  HIS   2           HE1      HIS   2  -5.912   5.252   6.875
   14    H    VAL   3           H        VAL   3  -5.448   5.575   3.041
   15    HA   VAL   3           HA       VAL   3  -4.373   6.170   0.402
   16    HB   VAL   3           HB       VAL   3  -5.420   8.318   0.963
   17   1HG1  VAL   3          1HG1      VAL   3  -5.071   7.743   3.524
   18   2HG1  VAL   3          2HG1      VAL   3  -5.128   9.421   2.985
   19   3HG1  VAL   3          3HG1      VAL   3  -3.574   8.649   3.300
   20   1HG2  VAL   3          1HG2      VAL   3  -2.715   9.203   1.518
   21   2HG2  VAL   3          2HG2      VAL   3  -3.659   9.381   0.039
   22   3HG2  VAL   3          3HG2      VAL   3  -2.711   7.919   0.309
   23    H    CYS   4           H        CYS   4  -2.872   4.497   0.928
   24    HA   CYS   4           HA       CYS   4  -1.237   4.709   3.375
   25   1HB   CYS   4          2HB       CYS   4  -1.616   2.802   1.085
   26   2HB   CYS   4          1HB       CYS   4  -0.169   2.661   2.082
   27    H    ASP   5           H        ASP   5   0.937   5.341   3.399
   28    HA   ASP   5           HA       ASP   5   2.883   6.450   2.644
   29   1HB   ASP   5          2HB       ASP   5   3.168   4.316   1.520
   30   2HB   ASP   5          1HB       ASP   5   2.057   4.797   0.238
   31    H    ASP   6           H        ASP   6   1.649   6.431  -0.628
   32    HA   ASP   6           HA       ASP   6   0.619   9.204  -0.411
   33   1HB   ASP   6          2HB       ASP   6   3.193   8.314  -1.666
   34   2HB   ASP   6          1HB       ASP   6   2.302   9.631  -2.430
   35    H    ASN   7           H        ASN   7   1.898   7.692  -3.325
   36    HA   ASN   7           HA       ASN   7  -0.572   7.988  -4.774
   37   1HB   ASN   7          2HB       ASN   7   0.712   6.555  -6.437
   38   2HB   ASN   7          1HB       ASN   7   1.571   7.994  -5.887
   39   1HD2  ASN   7          1HD2      ASN   7   1.556   4.481  -5.810
   40   2HD2  ASN   7          2HD2      ASN   7   3.025   4.304  -4.978
   41    H    PHE   8           H        PHE   8  -1.973   6.829  -3.107
   42    HA   PHE   8           HA       PHE   8  -2.550   4.121  -3.996
   43   1HB   PHE   8          2HB       PHE   8  -0.495   3.863  -2.576
   44   2HB   PHE   8          1HB       PHE   8  -1.399   4.526  -1.215
   45    HD1  PHE   8           HD1      PHE   8  -0.698   1.576  -3.181
   46    HD2  PHE   8           HD2      PHE   8  -3.514   3.330  -0.452
   47    HE1  PHE   8           HE1      PHE   8  -1.632  -0.671  -2.701
   48    HE2  PHE   8           HE2      PHE   8  -4.449   1.083   0.026
   49    HZ   PHE   8           HZ       PHE   8  -3.508  -0.917  -1.097
   50    H    SER   9           H        SER   9  -4.537   3.321  -2.970
   51    HA   SER   9           HA       SER   9  -5.864   4.798  -0.858
   52   1HB   SER   9          2HB       SER   9  -7.379   6.083  -2.153
   53   2HB   SER   9          1HB       SER   9  -5.830   6.303  -2.963
   54    HG   SER   9           HG       SER   9  -7.977   5.512  -4.090
   55    H    CYS  10           H        CYS  10  -7.806   3.760  -0.227
   56    HA   CYS  10           HA       CYS  10  -8.993   1.652  -1.905
   57   1HB   CYS  10          2HB       CYS  10  -6.901   1.166   0.038
   58   2HB   CYS  10          1HB       CYS  10  -8.383   0.346   0.531
   59    HA   PRO  11           HA       PRO  11 -12.288   3.328   0.589
   60   1HB   PRO  11          2HB       PRO  11 -14.293   1.819  -0.512
   61   2HB   PRO  11          1HB       PRO  11 -13.601   3.244  -1.314
   62   1HG   PRO  11          2HG       PRO  11 -13.051   0.355  -1.781
   63   2HG   PRO  11          1HG       PRO  11 -13.200   1.678  -2.948
   64   1HD   PRO  11          2HD       PRO  11 -10.807   0.663  -2.145
   65   2HD   PRO  11          1HD       PRO  11 -11.025   2.349  -2.665
   66    H    ALA  12           H        ALA  12 -10.815   1.709   2.129
   67    HA   ALA  12           HA       ALA  12 -10.857   0.001   3.774
   68   1HB   ALA  12          1HB       ALA  12 -12.392   1.429   4.832
   69   2HB   ALA  12          2HB       ALA  12 -13.295  -0.083   4.740
   70   3HB   ALA  12          3HB       ALA  12 -13.608   1.203   3.575
   71    H    GLY  13           H        GLY  13 -11.507  -0.764   0.863
   72   1HA   GLY  13          2HA       GLY  13 -13.136  -3.205   1.408
   73   2HA   GLY  13          1HA       GLY  13 -12.878  -2.508  -0.194
   74    H    SER  14           H        SER  14 -10.079  -2.456   1.723
   75    HA   SER  14           HA       SER  14  -9.099  -5.137   1.155
   76   1HB   SER  14          2HB       SER  14  -8.615  -2.824  -0.693
   77   2HB   SER  14          1HB       SER  14  -7.324  -4.001  -0.467
   78    HG   SER  14           HG       SER  14  -9.917  -4.943  -0.906
   79    H    THR  15           H        THR  15  -6.364  -4.600   1.071
   80    HA   THR  15           HA       THR  15  -5.846  -2.792   3.397
   81    HB   THR  15           HB       THR  15  -4.265  -4.814   4.065
   82    HG1  THR  15           HG1      THR  15  -4.579  -6.352   2.663
   83   1HG2  THR  15          1HG2      THR  15  -6.497  -3.810   5.100
   84   2HG2  THR  15          2HG2      THR  15  -5.818  -5.326   5.694
   85   3HG2  THR  15          3HG2      THR  15  -7.163  -5.349   4.554
   86    H    CYS  16           H        CYS  16  -3.611  -2.070   3.500
   87    HA   CYS  16           HA       CYS  16  -2.350  -1.822   0.875
   88   1HB   CYS  16          2HB       CYS  16  -1.582  -0.943   3.676
   89   2HB   CYS  16          1HB       CYS  16  -0.747  -0.432   2.210
   90    H    SER  17           H        SER  17  -1.434  -3.791   0.213
   91    HA   SER  17           HA       SER  17  -0.246  -5.819   1.697
   92   1HB   SER  17          2HB       SER  17   0.598  -4.589  -0.946
   93   2HB   SER  17          1HB       SER  17   1.128  -6.169  -0.377
   94    HG   SER  17           HG       SER  17  -0.655  -6.525  -1.619
   95    H    SER  18           H        SER  18   1.291  -2.801   0.580
   96    HA   SER  18           HA       SER  18   3.214  -1.685   1.364
   97   1HB   SER  18          2HB       SER  18   1.834  -2.338   3.499
   98   2HB   SER  18          1HB       SER  18   3.120  -3.516   3.751
   99    HG   SER  18           HG       SER  18   4.574  -1.894   3.931
  100    H    ALA  19           H        ALA  19   5.079  -2.167   0.297
  101    HA   ALA  19           HA       ALA  19   6.496  -4.707   0.993
  102   1HB   ALA  19          1HB       ALA  19   6.808  -5.195  -1.318
  103   2HB   ALA  19          2HB       ALA  19   6.327  -3.570  -1.805
  104   3HB   ALA  19          3HB       ALA  19   5.119  -4.701  -1.195
  105    H    PHE  20           H        PHE  20   8.821  -4.445  -0.258
  106    HA   PHE  20           HA       PHE  20  10.877  -3.268  -0.203
  107   1HB   PHE  20          2HB       PHE  20   8.740  -1.560  -1.253
  108   2HB   PHE  20          1HB       PHE  20  10.072  -0.627  -0.571
  109    HD1  PHE  20           HD1      PHE  20  12.060  -0.329  -1.790
  110    HD2  PHE  20           HD2      PHE  20   9.348  -3.473  -2.892
  111    HE1  PHE  20           HE1      PHE  20  13.419  -0.793  -3.812
  112    HE2  PHE  20           HE2      PHE  20  10.708  -3.937  -4.914
  113    HZ   PHE  20           HZ       PHE  20  12.744  -2.597  -5.374
  114    H    GLY  21           H        GLY  21  10.387  -3.839   2.312
  115   1HA   GLY  21          2HA       GLY  21  10.368  -1.253   3.818
  116   2HA   GLY  21          1HA       GLY  21   9.827  -2.788   4.499
  117    H    PHE  22           H        PHE  22  12.627  -2.934   2.496
  118    HA   PHE  22           HA       PHE  22  14.293  -3.473   4.914
  119   1HB   PHE  22          2HB       PHE  22  15.600  -4.809   3.423
  120   2HB   PHE  22          1HB       PHE  22  13.926  -5.094   2.948
  121    HD1  PHE  22           HD1      PHE  22  13.011  -4.109   0.885
  122    HD2  PHE  22           HD2      PHE  22  17.108  -3.511   2.026
  123    HE1  PHE  22           HE1      PHE  22  13.527  -3.289  -1.398
  124    HE2  PHE  22           HE2      PHE  22  17.625  -2.692  -0.256
  125    HZ   PHE  22           HZ       PHE  22  15.835  -2.580  -1.968
  126    H    ARG  23           H        ARG  23  13.592  -0.828   3.180
  127    HA   ARG  23           HA       ARG  23  15.818   0.736   3.938
  128   1HB   ARG  23          2HB       ARG  23  16.351  -1.108   1.822
  129   2HB   ARG  23          1HB       ARG  23  16.379   0.514   1.133
  130   1HG   ARG  23          2HG       ARG  23  17.813   1.091   3.258
  131   2HG   ARG  23          1HG       ARG  23  18.105  -0.648   3.299
  132   1HD   ARG  23          2HD       ARG  23  19.804  -0.158   1.841
  133   2HD   ARG  23          1HD       ARG  23  18.507  -0.074   0.632
  134    HE   ARG  23           HE       ARG  23  18.887   2.397   2.170
  135   1HH1  ARG  23          2HH1      ARG  23  17.777   2.285  -0.613
  136   2HH1  ARG  23          1HH1      ARG  23  19.104   2.878  -1.555
  137   1HH2  ARG  23          1HH2      ARG  23  21.444   2.414   0.961
  138   2HH2  ARG  23          2HH2      ARG  23  21.180   2.950  -0.665
  139    H    ASN  24           H        ASN  24  13.254   0.108   1.636
  140    HA   ASN  24           HA       ASN  24  11.704   1.550   0.612
  141   1HB   ASN  24          2HB       ASN  24  12.846   3.427   2.708
  142   2HB   ASN  24          1HB       ASN  24  11.332   3.668   1.838
  143   1HD2  ASN  24          1HD2      ASN  24   9.589   3.078   3.125
  144   2HD2  ASN  24          2HD2      ASN  24   9.567   1.765   4.201
  145    H    LEU  25           H        LEU  25  13.120   1.488  -1.330
  146    HA   LEU  25           HA       LEU  25  14.467   4.127  -1.820
  147   1HB   LEU  25          2HB       LEU  25  15.779   2.671  -3.521
  148   2HB   LEU  25          1HB       LEU  25  16.152   2.448  -1.812
  149    HG   LEU  25           HG       LEU  25  13.947   0.774  -2.880
  150   1HD1  LEU  25          1HD1      LEU  25  15.150   0.074  -4.672
  151   2HD1  LEU  25          2HD1      LEU  25  16.160  -0.761  -3.492
  152   3HD1  LEU  25          3HD1      LEU  25  16.629   0.833  -4.082
  153   1HD2  LEU  25          1HD2      LEU  25  15.576   0.885  -0.609
  154   2HD2  LEU  25          2HD2      LEU  25  16.177  -0.509  -1.506
  155   3HD2  LEU  25          3HD2      LEU  25  14.478  -0.427  -1.039
  156    H    SER  26           H        SER  26  11.669   2.709  -2.357
  157    HA   SER  26           HA       SER  26  11.029   4.155  -4.763
  158   1HB   SER  26          2HB       SER  26  12.509   1.900  -5.232
  159   2HB   SER  26          1HB       SER  26  10.874   1.256  -5.344
  160    HG   SER  26           HG       SER  26  10.578   3.299  -6.701
  161    H    LEU  27           H        LEU  27  10.298   1.478  -2.572
  162    HA   LEU  27           HA       LEU  27   8.251   0.748  -1.653
  163   1HB   LEU  27          2HB       LEU  27   7.845   3.635  -2.407
  164   2HB   LEU  27          1HB       LEU  27   6.504   2.708  -1.733
  165    HG   LEU  27           HG       LEU  27   7.813   3.916   0.018
  166   1HD1  LEU  27          1HD1      LEU  27   7.110   2.235   1.339
  167   2HD1  LEU  27          2HD1      LEU  27   8.530   1.289   0.891
  168   3HD1  LEU  27          3HD1      LEU  27   7.049   1.162  -0.059
  169   1HD2  LEU  27          1HD2      LEU  27  10.022   1.988  -0.769
  170   2HD2  LEU  27          2HD2      LEU  27  10.087   3.191   0.519
  171   3HD2  LEU  27          3HD2      LEU  27  10.014   3.706  -1.167
  172    H    VAL  28           H        VAL  28   7.274  -0.844  -2.851
  173    HA   VAL  28           HA       VAL  28   5.471  -0.012  -5.072
  174    HB   VAL  28           HB       VAL  28   7.702  -0.567  -6.011
  175   1HG1  VAL  28          1HG1      VAL  28   7.476  -3.438  -5.416
  176   2HG1  VAL  28          2HG1      VAL  28   7.781  -2.445  -3.991
  177   3HG1  VAL  28          3HG1      VAL  28   8.891  -2.386  -5.360
  178   1HG2  VAL  28          1HG2      VAL  28   5.372  -1.272  -7.035
  179   2HG2  VAL  28          2HG2      VAL  28   5.936  -2.904  -6.677
  180   3HG2  VAL  28          3HG2      VAL  28   6.866  -1.868  -7.759
  181    H    TRP  29           H        TRP  29   3.554  -0.775  -4.225
  182    HA   TRP  29           HA       TRP  29   3.309  -3.679  -3.734
  183   1HB   TRP  29          2HB       TRP  29   2.033  -2.830  -1.506
  184   2HB   TRP  29          1HB       TRP  29   3.741  -3.254  -1.509
  185    HD1  TRP  29           HD1      TRP  29   5.483  -1.153  -1.854
  186    HE1  TRP  29           HE1      TRP  29   5.293   1.273  -1.006
  187    HE3  TRP  29           HE3      TRP  29   0.468  -0.939  -0.918
  188    HZ2  TRP  29           HZ2      TRP  29   3.279   3.068  -0.057
  189    HZ3  TRP  29           HZ3      TRP  29  -0.560   1.138  -0.043
  190    HH2  TRP  29           HH2      TRP  29   0.839   3.142   0.388
  191    H    GLY  30           H        GLY  30   0.717  -3.575  -2.566
  192   1HA   GLY  30          2HA       GLY  30  -0.934  -1.788  -4.215
  193   2HA   GLY  30          1HA       GLY  30  -1.043  -3.494  -4.648
  194    H    CYS  31           H        CYS  31  -3.378  -2.910  -3.962
  195    HA   CYS  31           HA       CYS  31  -3.760  -2.981  -1.010
  196   1HB   CYS  31          2HB       CYS  31  -4.942  -1.588  -3.067
  197   2HB   CYS  31          1HB       CYS  31  -6.082  -2.913  -2.833
  198    H    SER  32           H        SER  32  -4.779  -4.757  -0.003
  199    HA   SER  32           HA       SER  32  -5.214  -7.164  -1.740
  200   1HB   SER  32          2HB       SER  32  -3.529  -6.788   0.383
  201   2HB   SER  32          1HB       SER  32  -4.946  -7.446   1.195
  202    HG   SER  32           HG       SER  32  -4.211  -9.290   0.503
  203    HA   PRO  33           HA       PRO  33  -9.468  -6.829  -0.597
  204   1HB   PRO  33          2HB       PRO  33 -10.265  -9.314  -1.419
  205   2HB   PRO  33          1HB       PRO  33  -9.925  -7.986  -2.546
  206   1HG   PRO  33          2HG       PRO  33  -8.239 -10.320  -1.809
  207   2HG   PRO  33          1HG       PRO  33  -8.437  -9.518  -3.374
  208   1HD   PRO  33          2HD       PRO  33  -6.286  -9.140  -1.719
  209   2HD   PRO  33          1HD       PRO  33  -6.844  -7.949  -2.914
  210    H    VAL  34           H        VAL  34 -10.088  -6.986   1.527
  211    HA   VAL  34           HA       VAL  34  -8.989  -8.829   3.423
  212    HB   VAL  34           HB       VAL  34 -10.066  -6.579   3.819
  213   1HG1  VAL  34          1HG1      VAL  34 -12.701  -8.030   3.767
  214   2HG1  VAL  34          2HG1      VAL  34 -12.063  -7.312   2.289
  215   3HG1  VAL  34          3HG1      VAL  34 -12.389  -6.296   3.692
  216   1HG2  VAL  34          1HG2      VAL  34 -10.319  -7.215   5.975
  217   2HG2  VAL  34          2HG2      VAL  34 -10.037  -8.866   5.422
  218   3HG2  VAL  34          3HG2      VAL  34 -11.685  -8.256   5.577
  219    H    GLU  35           HN       GLU  35 -11.690  -9.072   1.207
  220    HA   GLU  35           HA       GLU  35 -12.074 -11.902   1.962
  221   1HB   GLU  35          2HB       GLU  35 -13.536  -9.915   3.223
  222   2HB   GLU  35          1HB       GLU  35 -14.612 -10.421   1.920
  223   1HG   GLU  35          2HG       GLU  35 -15.214 -12.068   3.373
  224   2HG   GLU  35          1HG       GLU  35 -13.726 -12.841   2.825
  Start of MODEL    2
    1   1H    ASP   1          1H        ASP   1 -12.592   5.453   1.962
    2   2H    ASP   1          2H        ASP   1 -12.971   5.211   0.324
    3   3H    ASP   1          3H        ASP   1 -12.940   6.783   0.969
    4    HA   ASP   1           HA       ASP   1 -10.716   5.065   0.151
    5   1HB   ASP   1          2HB       ASP   1  -9.970   7.227  -0.697
    6   2HB   ASP   1          1HB       ASP   1 -11.671   7.014  -1.112
    7    H    HIS   2           H        HIS   2  -8.777   5.003   1.294
    8    HA   HIS   2           HA       HIS   2  -8.699   6.502   3.894
    9   1HB   HIS   2          2HB       HIS   2  -8.233   3.679   3.106
   10   2HB   HIS   2          1HB       HIS   2  -7.086   4.342   4.271
   11    HD1  HIS   2           HD1      HIS   2  -7.877   4.594   6.652
   12    HD2  HIS   2           HD2      HIS   2 -11.030   3.890   4.016
   13    HE1  HIS   2           HE1      HIS   2  -9.941   4.244   8.079
   14    H    VAL   3           H        VAL   3  -7.239   6.075   0.862
   15    HA   VAL   3           HA       VAL   3  -5.195   6.853  -0.035
   16    HB   VAL   3           HB       VAL   3  -5.634   8.453   2.483
   17   1HG1  VAL   3          1HG1      VAL   3  -3.182   8.257   0.836
   18   2HG1  VAL   3          2HG1      VAL   3  -3.384   8.831   2.492
   19   3HG1  VAL   3          3HG1      VAL   3  -3.757   9.897   1.136
   20   1HG2  VAL   3          1HG2      VAL   3  -7.040   9.373   0.933
   21   2HG2  VAL   3          2HG2      VAL   3  -6.145   8.692  -0.425
   22   3HG2  VAL   3          3HG2      VAL   3  -5.572  10.164   0.360
   23    H    CYS   4           H        CYS   4  -3.510   5.416  -0.077
   24    HA   CYS   4           HA       CYS   4  -2.296   4.587   2.535
   25   1HB   CYS   4          2HB       CYS   4  -3.013   3.259  -0.012
   26   2HB   CYS   4          1HB       CYS   4  -1.468   2.762   0.678
   27    H    ASP   5           H        ASP   5  -0.608   6.056   2.788
   28    HA   ASP   5           HA       ASP   5   1.391   7.223   2.291
   29   1HB   ASP   5          2HB       ASP   5   1.784   4.624   2.325
   30   2HB   ASP   5          1HB       ASP   5   2.044   4.829   0.592
   31    H    ASP   6           H        ASP   6  -0.627   8.129   0.595
   32    HA   ASP   6           HA       ASP   6  -0.966   9.187  -1.492
   33   1HB   ASP   6          2HB       ASP   6   1.682   9.541  -0.535
   34   2HB   ASP   6          1HB       ASP   6   1.808   9.286  -2.276
   35    H    ASN   7           H        ASN   7  -0.118   8.988  -3.945
   36    HA   ASN   7           HA       ASN   7  -0.276   7.542  -5.824
   37   1HB   ASN   7          2HB       ASN   7   2.130   7.576  -5.069
   38   2HB   ASN   7          1HB       ASN   7   1.808   6.097  -4.162
   39   1HD2  ASN   7          1HD2      ASN   7   2.063   4.165  -5.301
   40   2HD2  ASN   7          2HD2      ASN   7   2.137   4.041  -6.992
   41    H    PHE   8           H        PHE   8  -2.004   6.867  -3.413
   42    HA   PHE   8           HA       PHE   8  -2.977   4.304  -4.366
   43   1HB   PHE   8          2HB       PHE   8  -0.965   4.483  -2.224
   44   2HB   PHE   8          1HB       PHE   8  -2.383   3.533  -1.782
   45    HD1  PHE   8           HD1      PHE   8   0.694   2.844  -2.604
   46    HD2  PHE   8           HD2      PHE   8  -3.165   2.440  -4.444
   47    HE1  PHE   8           HE1      PHE   8   1.538   0.946  -3.957
   48    HE2  PHE   8           HE2      PHE   8  -2.321   0.542  -5.800
   49    HZ   PHE   8           HZ       PHE   8   0.032  -0.206  -5.555
   50    H    SER   9           H        SER   9  -4.910   3.640  -3.156
   51    HA   SER   9           HA       SER   9  -5.951   5.707  -1.258
   52   1HB   SER   9          2HB       SER   9  -8.124   5.499  -2.488
   53   2HB   SER   9          1HB       SER   9  -6.832   6.145  -3.494
   54    HG   SER   9           HG       SER   9  -6.899   4.402  -4.681
   55    H    CYS  10           H        CYS  10  -7.678   2.973  -2.639
   56    HA   CYS  10           HA       CYS  10  -8.593   1.046  -1.626
   57   1HB   CYS  10          2HB       CYS  10  -6.009   1.452  -0.094
   58   2HB   CYS  10          1HB       CYS  10  -7.000   0.000   0.041
   59    HA   PRO  11           HA       PRO  11 -10.723   3.124   1.718
   60   1HB   PRO  11          2HB       PRO  11 -12.850   1.402   1.790
   61   2HB   PRO  11          1HB       PRO  11 -12.697   2.698   0.586
   62   1HG   PRO  11          2HG       PRO  11 -12.147  -0.213   0.314
   63   2HG   PRO  11          1HG       PRO  11 -12.863   0.917  -0.848
   64   1HD   PRO  11          2HD       PRO  11 -10.268   0.065  -0.959
   65   2HD   PRO  11          1HD       PRO  11 -10.828   1.618  -1.616
   66    H    ALA  12           H        ALA  12 -12.204   1.578   3.560
   67    HA   ALA  12           HA       ALA  12 -10.114   0.533   5.251
   68   1HB   ALA  12          1HB       ALA  12 -12.819   1.325   5.405
   69   2HB   ALA  12          2HB       ALA  12 -11.783   0.837   6.745
   70   3HB   ALA  12          3HB       ALA  12 -12.788  -0.359   5.927
   71    H    GLY  13           H        GLY  13 -12.230  -0.895   2.858
   72   1HA   GLY  13          2HA       GLY  13 -12.024  -3.623   3.761
   73   2HA   GLY  13          1HA       GLY  13 -12.488  -3.117   2.136
   74    H    SER  14           H        SER  14 -10.574  -2.261   0.782
   75    HA   SER  14           HA       SER  14  -8.713  -4.186   0.172
   76   1HB   SER  14          2HB       SER  14  -8.953  -1.269  -0.094
   77   2HB   SER  14          1HB       SER  14  -7.288  -1.840  -0.181
   78    HG   SER  14           HG       SER  14  -8.178  -1.945  -2.225
   79    H    THR  15           H        THR  15  -6.361  -4.366   0.661
   80    HA   THR  15           HA       THR  15  -5.726  -3.535   3.477
   81    HB   THR  15           HB       THR  15  -6.320  -5.953   3.094
   82    HG1  THR  15           HG1      THR  15  -4.835  -6.510   4.500
   83   1HG2  THR  15          1HG2      THR  15  -5.078  -7.318   1.670
   84   2HG2  THR  15          2HG2      THR  15  -3.691  -6.228   1.673
   85   3HG2  THR  15          3HG2      THR  15  -5.138  -5.811   0.754
   86    H    CYS  16           H        CYS  16  -3.896  -2.292   3.590
   87    HA   CYS  16           HA       CYS  16  -2.068  -2.201   1.238
   88   1HB   CYS  16          2HB       CYS  16  -2.700  -0.457   3.614
   89   2HB   CYS  16          1HB       CYS  16  -1.214  -0.199   2.699
   90    H    SER  17           H        SER  17  -0.483  -3.769   1.425
   91    HA   SER  17           HA       SER  17   0.593  -4.452   4.107
   92   1HB   SER  17          2HB       SER  17  -0.090  -5.868   1.842
   93   2HB   SER  17          1HB       SER  17   1.663  -5.773   1.708
   94    HG   SER  17           HG       SER  17   0.282  -6.546   4.064
   95    H    SER  18           H        SER  18   1.613  -2.948   1.061
   96    HA   SER  18           HA       SER  18   3.553  -1.664   0.605
   97   1HB   SER  18          2HB       SER  18   4.306  -0.476   2.428
   98   2HB   SER  18          1HB       SER  18   2.904  -1.208   3.203
   99    HG   SER  18           HG       SER  18   4.230  -2.271   4.424
  100    H    ALA  19           H        ALA  19   5.210  -2.694  -0.488
  101    HA   ALA  19           HA       ALA  19   6.985  -4.554   0.984
  102   1HB   ALA  19          1HB       ALA  19   4.837  -5.668  -0.039
  103   2HB   ALA  19          2HB       ALA  19   6.401  -6.454  -0.255
  104   3HB   ALA  19          3HB       ALA  19   5.705  -5.501  -1.566
  105    H    PHE  20           H        PHE  20   8.168  -5.681  -1.352
  106    HA   PHE  20           HA       PHE  20   9.179  -3.292  -2.844
  107   1HB   PHE  20          2HB       PHE  20  10.804  -5.521  -1.581
  108   2HB   PHE  20          1HB       PHE  20  11.457  -4.156  -2.486
  109    HD1  PHE  20           HD1      PHE  20  10.257  -5.316   0.723
  110    HD2  PHE  20           HD2      PHE  20  11.066  -1.804  -1.616
  111    HE1  PHE  20           HE1      PHE  20  10.271  -3.943   2.789
  112    HE2  PHE  20           HE2      PHE  20  11.079  -0.432   0.452
  113    HZ   PHE  20           HZ       PHE  20  10.682  -1.502   2.652
  114    H    GLY  21           H        GLY  21  11.085  -5.957  -3.512
  115   1HA   GLY  21          2HA       GLY  21   9.264  -7.264  -5.408
  116   2HA   GLY  21          1HA       GLY  21  10.542  -6.303  -6.154
  117    H    PHE  22           H        PHE  22  12.274  -7.519  -6.710
  118    HA   PHE  22           HA       PHE  22  12.756 -10.101  -5.325
  119   1HB   PHE  22          2HB       PHE  22  14.305 -10.415  -7.261
  120   2HB   PHE  22          1HB       PHE  22  12.669 -10.002  -7.773
  121    HD1  PHE  22           HD1      PHE  22  12.215  -8.002  -8.981
  122    HD2  PHE  22           HD2      PHE  22  16.063  -8.597  -7.166
  123    HE1  PHE  22           HE1      PHE  22  13.087  -6.009 -10.173
  124    HE2  PHE  22           HE2      PHE  22  16.934  -6.605  -8.359
  125    HZ   PHE  22           HZ       PHE  22  15.445  -5.311  -9.862
  126    H    ARG  23           H        ARG  23  13.621  -7.016  -4.679
  127    HA   ARG  23           HA       ARG  23  15.986  -7.798  -3.155
  128   1HB   ARG  23          2HB       ARG  23  16.734  -7.589  -5.574
  129   2HB   ARG  23          1HB       ARG  23  16.325  -5.876  -5.476
  130   1HG   ARG  23          2HG       ARG  23  18.045  -5.407  -3.987
  131   2HG   ARG  23          1HG       ARG  23  18.099  -7.059  -3.369
  132   1HD   ARG  23          2HD       ARG  23  20.080  -6.609  -4.780
  133   2HD   ARG  23          1HD       ARG  23  19.039  -7.812  -5.567
  134    HE   ARG  23           HE       ARG  23  18.026  -5.794  -6.806
  135   1HH1  ARG  23          1HH2      ARG  23  20.487  -4.529  -5.035
  136   2HH1  ARG  23          2HH2      ARG  23  21.427  -3.944  -6.368
  137   1HH2  ARG  23          2HH1      ARG  23  19.554  -5.610  -8.763
  138   2HH2  ARG  23          1HH1      ARG  23  20.898  -4.556  -8.477
  139    H    ASN  24           H        ASN  24  14.506  -4.922  -4.706
  140    HA   ASN  24           HA       ASN  24  13.653  -3.773  -2.200
  141   1HB   ASN  24          2HB       ASN  24  15.410  -1.820  -2.504
  142   2HB   ASN  24          1HB       ASN  24  15.873  -3.295  -1.657
  143   1HD2  ASN  24          1HD2      ASN  24  18.134  -3.099  -2.287
  144   2HD2  ASN  24          2HD2      ASN  24  18.636  -3.348  -3.890
  145    H    LEU  25           H        LEU  25  15.117  -2.300  -5.130
  146    HA   LEU  25           HA       LEU  25  14.179  -0.664  -6.575
  147   1HB   LEU  25          2HB       LEU  25  12.466  -3.091  -6.373
  148   2HB   LEU  25          1HB       LEU  25  11.767  -1.710  -7.220
  149    HG   LEU  25           HG       LEU  25  13.082  -3.342  -8.672
  150   1HD1  LEU  25          1HD1      LEU  25  12.641  -1.194  -9.589
  151   2HD1  LEU  25          2HD1      LEU  25  14.378  -1.424  -9.791
  152   3HD1  LEU  25          3HD1      LEU  25  13.770  -0.405  -8.486
  153   1HD2  LEU  25          1HD2      LEU  25  15.481  -3.309  -8.551
  154   2HD2  LEU  25          2HD2      LEU  25  14.901  -3.609  -6.912
  155   3HD2  LEU  25          3HD2      LEU  25  15.465  -2.001  -7.367
  156    H    SER  26           H        SER  26  13.752  -0.085  -3.731
  157    HA   SER  26           HA       SER  26  12.502   1.491  -2.479
  158   1HB   SER  26          2HB       SER  26  10.840   1.882  -4.964
  159   2HB   SER  26          1HB       SER  26  11.301   3.075  -3.754
  160    HG   SER  26           HG       SER  26  13.418   2.953  -4.510
  161    H    LEU  27           H        LEU  27  10.196   1.789  -1.655
  162    HA   LEU  27           HA       LEU  27   8.958  -0.553  -0.845
  163   1HB   LEU  27          2HB       LEU  27   8.092   2.265  -1.349
  164   2HB   LEU  27          1HB       LEU  27   6.843   1.082  -0.965
  165    HG   LEU  27           HG       LEU  27   9.286   1.051   0.737
  166   1HD1  LEU  27          1HD1      LEU  27   8.568   2.924   2.080
  167   2HD1  LEU  27          2HD1      LEU  27   7.114   3.135   1.104
  168   3HD1  LEU  27          3HD1      LEU  27   8.699   3.489   0.415
  169   1HD2  LEU  27          1HD2      LEU  27   6.390   0.391   0.883
  170   2HD2  LEU  27          2HD2      LEU  27   7.127   0.977   2.375
  171   3HD2  LEU  27          3HD2      LEU  27   7.773  -0.455   1.576
  172    H    VAL  28           H        VAL  28   6.875   1.286  -2.976
  173    HA   VAL  28           HA       VAL  28   5.633   0.640  -4.880
  174    HB   VAL  28           HB       VAL  28   7.918  -1.330  -5.213
  175   1HG1  VAL  28          1HG1      VAL  28   7.006  -1.761  -7.225
  176   2HG1  VAL  28          2HG1      VAL  28   6.921  -0.040  -7.603
  177   3HG1  VAL  28          3HG1      VAL  28   5.599  -0.819  -6.735
  178   1HG2  VAL  28          1HG2      VAL  28   9.241   0.375  -6.115
  179   2HG2  VAL  28          2HG2      VAL  28   8.444   1.219  -4.789
  180   3HG2  VAL  28          3HG2      VAL  28   7.855   1.415  -6.440
  181    H    TRP  29           H        TRP  29   3.764  -0.402  -4.254
  182    HA   TRP  29           HA       TRP  29   3.850  -3.358  -4.016
  183   1HB   TRP  29          2HB       TRP  29   2.172  -2.778  -1.947
  184   2HB   TRP  29          1HB       TRP  29   3.887  -3.110  -1.744
  185    HD1  TRP  29           HD1      TRP  29   5.505  -0.814  -1.867
  186    HE1  TRP  29           HE1      TRP  29   5.047   1.488  -0.800
  187    HE3  TRP  29           HE3      TRP  29   0.453  -1.140  -1.188
  188    HZ2  TRP  29           HZ2      TRP  29   2.839   2.990   0.210
  189    HZ3  TRP  29           HZ3      TRP  29  -0.798   0.738  -0.166
  190    HH2  TRP  29           HH2      TRP  29   0.388   2.803   0.531
  191    H    GLY  30           H        GLY  30   1.181  -3.733  -3.240
  192   1HA   GLY  30          2HA       GLY  30  -0.347  -2.230  -5.326
  193   2HA   GLY  30          1HA       GLY  30  -0.473  -3.983  -5.202
  194    H    CYS  31           H        CYS  31  -2.588  -4.220  -4.535
  195    HA   CYS  31           HA       CYS  31  -3.251  -3.593  -1.768
  196   1HB   CYS  31          2HB       CYS  31  -3.436  -1.451  -3.303
  197   2HB   CYS  31          1HB       CYS  31  -4.947  -2.195  -3.821
  198    H    SER  32           H        SER  32  -4.943  -4.958  -1.112
  199    HA   SER  32           HA       SER  32  -6.607  -6.239  -3.245
  200   1HB   SER  32          2HB       SER  32  -5.162  -7.688  -1.007
  201   2HB   SER  32          1HB       SER  32  -6.098  -8.427  -2.302
  202    HG   SER  32           HG       SER  32  -4.483  -7.062  -3.635
  203    HA   PRO  33           HA       PRO  33  -9.827  -5.661  -0.308
  204   1HB   PRO  33          2HB       PRO  33 -11.569  -7.603  -1.127
  205   2HB   PRO  33          1HB       PRO  33 -11.289  -6.109  -2.042
  206   1HG   PRO  33          2HG       PRO  33 -10.254  -8.846  -2.530
  207   2HG   PRO  33          1HG       PRO  33 -10.729  -7.595  -3.686
  208   1HD   PRO  33          2HD       PRO  33  -8.126  -8.200  -3.018
  209   2HD   PRO  33          1HD       PRO  33  -8.660  -6.645  -3.691
  210    H    VAL  34           H        VAL  34  -8.159  -6.607   1.325
  211    HA   VAL  34           HA       VAL  34  -7.576  -8.192   2.996
  212    HB   VAL  34           HB       VAL  34 -10.579  -8.575   2.985
  213   1HG1  VAL  34          1HG1      VAL  34 -10.225  -9.473   5.020
  214   2HG1  VAL  34          2HG1      VAL  34  -9.311  -8.054   5.529
  215   3HG1  VAL  34          3HG1      VAL  34  -8.492  -9.382   4.709
  216   1HG2  VAL  34          1HG2      VAL  34 -10.450  -6.476   4.517
  217   2HG2  VAL  34          2HG2      VAL  34 -10.398  -6.234   2.770
  218   3HG2  VAL  34          3HG2      VAL  34  -8.909  -6.171   3.713
  219    H    GLU  35           HN       GLU  35  -7.209  -9.434   0.530
  220    HA   GLU  35           HA       GLU  35  -7.090 -11.583  -0.451
  221   1HB   GLU  35          2HB       GLU  35  -6.996 -11.753   2.402
  222   2HB   GLU  35          1HB       GLU  35  -7.932 -13.129   1.811
  223   1HG   GLU  35          2HG       GLU  35  -5.467 -12.506   0.286
  224   2HG   GLU  35          1HG       GLU  35  -5.221 -13.117   1.922
  Start of MODEL    3
    1   1H    ASP   1          1H        ASP   1 -13.251   7.417   1.877
    2   2H    ASP   1          2H        ASP   1 -12.429   8.701   1.128
    3   3H    ASP   1          3H        ASP   1 -11.952   8.165   2.667
    4    HA   ASP   1           HA       ASP   1 -11.824   5.909   1.087
    5   1HB   ASP   1          2HB       ASP   1 -12.027   7.954  -0.635
    6   2HB   ASP   1          1HB       ASP   1 -10.294   8.057  -0.321
    7    H    HIS   2           H        HIS   2  -9.963   4.881   1.798
    8    HA   HIS   2           HA       HIS   2  -8.219   6.323   3.674
    9   1HB   HIS   2          2HB       HIS   2  -9.161   3.700   3.248
   10   2HB   HIS   2          1HB       HIS   2  -7.419   3.622   2.980
   11    HD1  HIS   2           HD1      HIS   2  -6.263   5.479   4.996
   12    HD2  HIS   2           HD2      HIS   2  -9.536   3.062   5.905
   13    HE1  HIS   2           HE1      HIS   2  -6.315   5.263   7.519
   14    H    VAL   3           H        VAL   3  -5.892   6.434   3.418
   15    HA   VAL   3           HA       VAL   3  -4.988   6.344   0.556
   16    HB   VAL   3           HB       VAL   3  -3.733   7.975   2.768
   17   1HG1  VAL   3          1HG1      VAL   3  -4.073   8.542  -0.188
   18   2HG1  VAL   3          2HG1      VAL   3  -2.675   7.698   0.479
   19   3HG1  VAL   3          3HG1      VAL   3  -3.003   9.367   0.945
   20   1HG2  VAL   3          1HG2      VAL   3  -5.801   8.939   3.023
   21   2HG2  VAL   3          2HG2      VAL   3  -6.375   8.364   1.458
   22   3HG2  VAL   3          3HG2      VAL   3  -5.337   9.787   1.547
   23    H    CYS   4           H        CYS   4  -3.889   4.402   0.377
   24    HA   CYS   4           HA       CYS   4  -2.451   3.177   2.580
   25   1HB   CYS   4          2HB       CYS   4  -3.233   2.642  -0.179
   26   2HB   CYS   4          1HB       CYS   4  -1.616   2.032   0.175
   27    H    ASP   5           H        ASP   5  -0.623   4.194   3.321
   28    HA   ASP   5           HA       ASP   5   1.416   5.432   3.254
   29   1HB   ASP   5          2HB       ASP   5   1.521   2.972   1.548
   30   2HB   ASP   5          1HB       ASP   5   2.943   4.015   1.604
   31    H    ASP   6           H        ASP   6  -0.420   6.830   1.627
   32    HA   ASP   6           HA       ASP   6  -0.472   8.375  -0.167
   33   1HB   ASP   6          2HB       ASP   6   1.774   8.702   1.206
   34   2HB   ASP   6          1HB       ASP   6   2.516   8.102  -0.278
   35    H    ASN   7           H        ASN   7   0.614   8.671  -2.512
   36    HA   ASN   7           HA       ASN   7   1.013   7.732  -4.648
   37   1HB   ASN   7          2HB       ASN   7   2.667   6.469  -2.979
   38   2HB   ASN   7          1HB       ASN   7   1.617   5.102  -3.351
   39   1HD2  ASN   7          1HD2      ASN   7   3.219   3.997  -4.663
   40   2HD2  ASN   7          2HD2      ASN   7   3.712   4.601  -6.170
   41    H    PHE   8           H        PHE   8  -0.303   5.098  -2.596
   42    HA   PHE   8           HA       PHE   8  -2.424   4.686  -4.670
   43   1HB   PHE   8          2HB       PHE   8  -0.610   2.935  -3.864
   44   2HB   PHE   8          1HB       PHE   8  -1.720   2.727  -2.508
   45    HD1  PHE   8           HD1      PHE   8  -4.152   2.160  -2.985
   46    HD2  PHE   8           HD2      PHE   8  -1.090   1.994  -5.995
   47    HE1  PHE   8           HE1      PHE   8  -5.615   0.739  -4.396
   48    HE2  PHE   8           HE2      PHE   8  -2.554   0.572  -7.404
   49    HZ   PHE   8           HZ       PHE   8  -4.816  -0.056  -6.605
   50    H    SER   9           H        SER   9  -4.583   4.062  -3.793
   51    HA   SER   9           HA       SER   9  -5.087   4.964  -0.991
   52   1HB   SER   9          2HB       SER   9  -7.195   6.054  -2.266
   53   2HB   SER   9          1HB       SER   9  -5.684   6.928  -2.038
   54    HG   SER   9           HG       SER   9  -6.609   6.778  -4.254
   55    H    CYS  10           H        CYS  10  -6.846   3.884  -0.023
   56    HA   CYS  10           HA       CYS  10  -8.370   1.953  -1.728
   57   1HB   CYS  10          2HB       CYS  10  -7.060   1.361   0.946
   58   2HB   CYS  10          1HB       CYS  10  -7.907   0.207  -0.085
   59    HA   PRO  11           HA       PRO  11 -11.803   3.391   0.591
   60   1HB   PRO  11          2HB       PRO  11 -13.418   1.180   0.518
   61   2HB   PRO  11          1HB       PRO  11 -13.141   2.227  -0.889
   62   1HG   PRO  11          2HG       PRO  11 -11.930  -0.409  -0.227
   63   2HG   PRO  11          1HG       PRO  11 -12.440   0.240  -1.793
   64   1HD   PRO  11          2HD       PRO  11  -9.839   0.156  -0.968
   65   2HD   PRO  11          1HD       PRO  11 -10.470   1.352  -2.121
   66    H    ALA  12           H        ALA  12 -12.199   0.037   1.562
   67    HA   ALA  12           HA       ALA  12 -10.935   0.446   4.195
   68   1HB   ALA  12          1HB       ALA  12 -12.972   1.577   4.635
   69   2HB   ALA  12          2HB       ALA  12 -13.254  -0.051   5.252
   70   3HB   ALA  12          3HB       ALA  12 -13.911   0.425   3.687
   71    H    GLY  13           H        GLY  13 -13.087  -1.544   2.172
   72   1HA   GLY  13          2HA       GLY  13 -12.667  -3.975   3.671
   73   2HA   GLY  13          1HA       GLY  13 -13.330  -3.879   2.039
   74    H    SER  14           H        SER  14 -10.584  -2.200   1.723
   75    HA   SER  14           HA       SER  14  -9.014  -4.645   0.981
   76   1HB   SER  14          2HB       SER  14  -9.099  -1.831  -0.145
   77   2HB   SER  14          1HB       SER  14  -7.995  -3.086  -0.704
   78    HG   SER  14           HG       SER  14  -9.593  -3.657  -1.937
   79    H    THR  15           H        THR  15  -6.603  -4.300   1.080
   80    HA   THR  15           HA       THR  15  -5.641  -2.189   2.911
   81    HB   THR  15           HB       THR  15  -5.900  -5.121   3.576
   82    HG1  THR  15           HG1      THR  15  -7.309  -3.227   4.255
   83   1HG2  THR  15          1HG2      THR  15  -3.649  -4.928   4.111
   84   2HG2  THR  15          2HG2      THR  15  -4.391  -4.363   5.608
   85   3HG2  THR  15          3HG2      THR  15  -3.771  -3.199   4.439
   86    H    CYS  16           H        CYS  16  -3.365  -1.917   2.724
   87    HA   CYS  16           HA       CYS  16  -2.074  -3.580   0.586
   88   1HB   CYS  16          2HB       CYS  16  -0.684  -1.502   0.273
   89   2HB   CYS  16          1HB       CYS  16  -2.405  -1.249  -0.019
   90    H    SER  17           H        SER  17   0.401  -3.660   0.875
   91    HA   SER  17           HA       SER  17   1.037  -4.041   3.784
   92   1HB   SER  17          2HB       SER  17   0.834  -5.984   2.031
   93   2HB   SER  17          1HB       SER  17   2.419  -5.429   1.500
   94    HG   SER  17           HG       SER  17   1.933  -5.809   4.236
   95    H    SER  18           H        SER  18   2.097  -2.670   0.722
   96    HA   SER  18           HA       SER  18   3.883  -1.192   0.240
   97   1HB   SER  18          2HB       SER  18   3.175  -0.882   3.114
   98   2HB   SER  18          1HB       SER  18   4.707  -0.176   2.610
   99    HG   SER  18           HG       SER  18   2.099   0.342   1.646
  100    H    ALA  19           H        ALA  19   5.751  -2.223  -0.436
  101    HA   ALA  19           HA       ALA  19   7.686  -3.112   1.614
  102   1HB   ALA  19          1HB       ALA  19   7.810  -5.354   0.313
  103   2HB   ALA  19          2HB       ALA  19   6.242  -4.894  -0.350
  104   3HB   ALA  19          3HB       ALA  19   6.433  -5.115   1.391
  105    H    PHE  20           H        PHE  20   9.594  -4.271   0.174
  106    HA   PHE  20           HA       PHE  20  10.002  -2.817  -2.382
  107   1HB   PHE  20          2HB       PHE  20  12.078  -2.626  -0.203
  108   2HB   PHE  20          1HB       PHE  20  11.856  -1.585  -1.608
  109    HD1  PHE  20           HD1      PHE  20  10.046   0.102  -1.657
  110    HD2  PHE  20           HD2      PHE  20  10.773  -2.325   1.812
  111    HE1  PHE  20           HE1      PHE  20   8.649   1.628  -0.290
  112    HE2  PHE  20           HE2      PHE  20   9.377  -0.796   3.176
  113    HZ   PHE  20           HZ       PHE  20   8.314   1.181   2.124
  114    H    GLY  21           H        GLY  21  11.962  -4.604   0.036
  115   1HA   GLY  21          2HA       GLY  21  12.287  -7.085  -0.784
  116   2HA   GLY  21          1HA       GLY  21  13.016  -6.288  -2.178
  117    H    PHE  22           H        PHE  22  15.010  -7.453  -1.518
  118    HA   PHE  22           HA       PHE  22  16.340  -7.050   0.970
  119   1HB   PHE  22          2HB       PHE  22  18.213  -7.987  -0.189
  120   2HB   PHE  22          1HB       PHE  22  16.788  -8.700  -0.942
  121    HD1  PHE  22           HD1      PHE  22  19.683  -6.555  -1.415
  122    HD2  PHE  22           HD2      PHE  22  15.938  -7.782  -3.123
  123    HE1  PHE  22           HE1      PHE  22  20.387  -5.644  -3.613
  124    HE2  PHE  22           HE2      PHE  22  16.641  -6.872  -5.320
  125    HZ   PHE  22           HZ       PHE  22  18.865  -5.802  -5.565
  126    H    ARG  23           H        ARG  23  15.825  -4.892  -1.686
  127    HA   ARG  23           HA       ARG  23  18.135  -3.169  -1.108
  128   1HB   ARG  23          2HB       ARG  23  16.117  -3.548  -3.140
  129   2HB   ARG  23          1HB       ARG  23  16.173  -1.848  -2.671
  130   1HG   ARG  23          2HG       ARG  23  18.515  -1.699  -3.152
  131   2HG   ARG  23          1HG       ARG  23  18.656  -3.448  -3.323
  132   1HD   ARG  23          2HD       ARG  23  16.846  -3.117  -5.221
  133   2HD   ARG  23          1HD       ARG  23  17.472  -1.455  -5.233
  134    HE   ARG  23           HE       ARG  23  19.347  -3.780  -5.401
  135   1HH1  ARG  23          2HH1      ARG  23  19.925  -0.695  -5.449
  136   2HH1  ARG  23          1HH1      ARG  23  20.320  -0.503  -7.124
  137   1HH2  ARG  23          1HH2      ARG  23  19.049  -3.594  -8.049
  138   2HH2  ARG  23          2HH2      ARG  23  19.824  -2.145  -8.596
  139    H    ASN  24           H        ASN  24  14.595  -3.023  -0.634
  140    HA   ASN  24           HA       ASN  24  13.343  -1.812   0.971
  141   1HB   ASN  24          2HB       ASN  24  15.842  -2.425   2.088
  142   2HB   ASN  24          1HB       ASN  24  15.616  -0.705   2.414
  143   1HD2  ASN  24          1HD2      ASN  24  14.583  -0.372   4.378
  144   2HD2  ASN  24          2HD2      ASN  24  13.395  -1.383   5.044
  145    H    LEU  25           H        LEU  25  14.096  -0.549  -1.511
  146    HA   LEU  25           HA       LEU  25  13.847   2.278  -0.682
  147   1HB   LEU  25          2HB       LEU  25  15.813   2.773  -2.315
  148   2HB   LEU  25          1HB       LEU  25  16.208   2.153  -0.713
  149    HG   LEU  25           HG       LEU  25  16.334  -0.141  -1.642
  150   1HD1  LEU  25          1HD1      LEU  25  15.446   1.327  -4.098
  151   2HD1  LEU  25          2HD1      LEU  25  14.950  -0.257  -3.502
  152   3HD1  LEU  25          3HD1      LEU  25  16.516  -0.061  -4.291
  153   1HD2  LEU  25          1HD2      LEU  25  18.172   0.899  -3.534
  154   2HD2  LEU  25          2HD2      LEU  25  18.514   0.386  -1.881
  155   3HD2  LEU  25          3HD2      LEU  25  18.099   2.068  -2.214
  156    H    SER  26           H        SER  26  12.506  -0.006  -2.356
  157    HA   SER  26           HA       SER  26  11.819   1.762  -4.666
  158   1HB   SER  26          2HB       SER  26  11.815  -0.570  -5.919
  159   2HB   SER  26          1HB       SER  26  13.324   0.310  -5.698
  160    HG   SER  26           HG       SER  26  12.291  -1.739  -4.020
  161    H    LEU  27           H        LEU  27   9.761   2.170  -3.680
  162    HA   LEU  27           HA       LEU  27   8.003   0.366  -2.458
  163   1HB   LEU  27          2HB       LEU  27   7.935   2.945  -3.830
  164   2HB   LEU  27          1HB       LEU  27   6.419   2.063  -4.013
  165    HG   LEU  27           HG       LEU  27   6.935   1.632  -1.373
  166   1HD1  LEU  27          1HD1      LEU  27   7.801   4.484  -1.908
  167   2HD1  LEU  27          2HD1      LEU  27   8.936   3.172  -1.591
  168   3HD1  LEU  27          3HD1      LEU  27   7.770   3.645  -0.357
  169   1HD2  LEU  27          1HD2      LEU  27   5.247   3.377  -0.956
  170   2HD2  LEU  27          2HD2      LEU  27   4.822   2.437  -2.385
  171   3HD2  LEU  27          3HD2      LEU  27   5.528   4.044  -2.564
  172    H    VAL  28           H        VAL  28   7.167  -1.535  -3.228
  173    HA   VAL  28           HA       VAL  28   6.422  -1.694  -6.124
  174    HB   VAL  28           HB       VAL  28   8.667  -2.705  -5.602
  175   1HG1  VAL  28          1HG1      VAL  28   7.190  -3.747  -3.392
  176   2HG1  VAL  28          2HG1      VAL  28   8.908  -3.945  -3.745
  177   3HG1  VAL  28          3HG1      VAL  28   7.740  -5.111  -4.368
  178   1HG2  VAL  28          1HG2      VAL  28   7.766  -5.140  -6.378
  179   2HG2  VAL  28          2HG2      VAL  28   7.874  -3.764  -7.475
  180   3HG2  VAL  28          3HG2      VAL  28   6.333  -4.169  -6.717
  181    H    TRP  29           H        TRP  29   4.260  -1.255  -4.900
  182    HA   TRP  29           HA       TRP  29   2.877  -3.820  -4.556
  183   1HB   TRP  29          2HB       TRP  29   2.215  -3.281  -2.200
  184   2HB   TRP  29          1HB       TRP  29   3.949  -3.548  -2.376
  185    HD1  TRP  29           HD1      TRP  29   5.539  -1.389  -2.334
  186    HE1  TRP  29           HE1      TRP  29   5.197   0.944  -1.297
  187    HE3  TRP  29           HE3      TRP  29   0.483  -1.459  -1.659
  188    HZ2  TRP  29           HZ2      TRP  29   3.058   2.572  -0.313
  189    HZ3  TRP  29           HZ3      TRP  29  -0.683   0.492  -0.672
  190    HH2  TRP  29           HH2      TRP  29   0.597   2.504   0.000
  191    H    GLY  30           H        GLY  30   0.623  -2.829  -3.172
  192   1HA   GLY  30          2HA       GLY  30  -0.276  -0.294  -4.233
  193   2HA   GLY  30          1HA       GLY  30  -0.928  -1.639  -5.170
  194    H    CYS  31           H        CYS  31  -2.673  -2.740  -4.350
  195    HA   CYS  31           HA       CYS  31  -3.325  -2.529  -1.460
  196   1HB   CYS  31          2HB       CYS  31  -4.237  -0.578  -2.973
  197   2HB   CYS  31          1HB       CYS  31  -5.405  -1.787  -3.504
  198    H    SER  32           H        SER  32  -5.284  -3.941  -0.972
  199    HA   SER  32           HA       SER  32  -6.041  -5.936  -2.996
  200   1HB   SER  32          2HB       SER  32  -3.704  -6.298  -1.541
  201   2HB   SER  32          1HB       SER  32  -4.885  -7.237  -0.632
  202    HG   SER  32           HG       SER  32  -4.769  -8.656  -2.164
  203    HA   PRO  33           HA       PRO  33  -9.545  -5.991  -0.336
  204   1HB   PRO  33          2HB       PRO  33 -10.708  -8.318  -1.180
  205   2HB   PRO  33          1HB       PRO  33 -10.721  -6.829  -2.145
  206   1HG   PRO  33          2HG       PRO  33  -9.012  -9.244  -2.416
  207   2HG   PRO  33          1HG       PRO  33  -9.700  -8.200  -3.668
  208   1HD   PRO  33          2HD       PRO  33  -7.087  -8.094  -2.835
  209   2HD   PRO  33          1HD       PRO  33  -7.955  -6.735  -3.580
  210    H    VAL  34           H        VAL  34 -10.294  -7.061   1.588
  211    HA   VAL  34           HA       VAL  34  -8.375  -9.074   2.679
  212    HB   VAL  34           HB       VAL  34  -8.747  -6.879   3.820
  213   1HG1  VAL  34          1HG1      VAL  34 -11.446  -7.475   3.221
  214   2HG1  VAL  34          2HG1      VAL  34 -10.829  -6.070   4.089
  215   3HG1  VAL  34          3HG1      VAL  34 -11.311  -7.514   4.978
  216   1HG2  VAL  34          1HG2      VAL  34  -9.991  -8.823   5.690
  217   2HG2  VAL  34          2HG2      VAL  34  -8.543  -7.837   5.892
  218   3HG2  VAL  34          3HG2      VAL  34  -8.470  -9.329   4.953
  219    H    GLU  35           HN       GLU  35 -10.158 -10.212   0.901
  220    HA   GLU  35           HA       GLU  35 -12.691 -11.037   1.838
  221   1HB   GLU  35          2HB       GLU  35 -12.008 -11.482  -0.406
  222   2HB   GLU  35          1HB       GLU  35 -10.556 -12.329   0.127
  223   1HG   GLU  35          2HG       GLU  35 -11.837 -14.177   0.969
  224   2HG   GLU  35          1HG       GLU  35 -13.352 -13.295   0.767
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1 -12.316   7.589   3.425
    2   2H    ASP   1          2H        ASP   1 -13.204   6.142   3.384
    3   3H    ASP   1          3H        ASP   1 -13.446   7.323   2.186
    4    HA   ASP   1           HA       ASP   1 -11.966   5.245   1.681
    5   1HB   ASP   1          2HB       ASP   1 -12.541   7.536   0.490
    6   2HB   ASP   1          1HB       ASP   1 -10.882   7.942   0.929
    7    H    HIS   2           H        HIS   2  -9.854   4.454   1.963
    8    HA   HIS   2           HA       HIS   2  -8.275   5.731   4.147
    9   1HB   HIS   2          2HB       HIS   2  -8.454   2.996   2.877
   10   2HB   HIS   2          1HB       HIS   2  -7.119   3.417   3.950
   11    HD1  HIS   2           HD1      HIS   2  -9.882   5.295   5.149
   12    HD2  HIS   2           HD2      HIS   2  -8.786   1.284   5.467
   13    HE1  HIS   2           HE1      HIS   2 -11.152   4.359   7.131
   14    H    VAL   3           H        VAL   3  -5.745   4.970   3.661
   15    HA   VAL   3           HA       VAL   3  -5.049   5.630   0.847
   16    HB   VAL   3           HB       VAL   3  -5.345   7.708   2.329
   17   1HG1  VAL   3          1HG1      VAL   3  -3.771   8.172   4.009
   18   2HG1  VAL   3          2HG1      VAL   3  -2.636   6.962   3.412
   19   3HG1  VAL   3          3HG1      VAL   3  -4.102   6.457   4.254
   20   1HG2  VAL   3          1HG2      VAL   3  -2.842   8.431   1.589
   21   2HG2  VAL   3          2HG2      VAL   3  -4.174   8.280   0.442
   22   3HG2  VAL   3          3HG2      VAL   3  -3.021   6.960   0.634
   23    H    CYS   4           H        CYS   4  -3.349   4.368   0.228
   24    HA   CYS   4           HA       CYS   4  -1.480   3.345   2.341
   25   1HB   CYS   4          2HB       CYS   4  -2.378   1.789  -0.094
   26   2HB   CYS   4          1HB       CYS   4  -1.630   1.169   1.374
   27    H    ASP   5           H        ASP   5   0.638   3.796   1.822
   28    HA   ASP   5           HA       ASP   5   2.533   4.352   0.525
   29   1HB   ASP   5          2HB       ASP   5   2.508   2.565  -0.886
   30   2HB   ASP   5          1HB       ASP   5   0.761   2.637  -1.072
   31    H    ASP   6           H        ASP   6  -0.207   5.994   0.609
   32    HA   ASP   6           HA       ASP   6  -0.753   8.209   0.001
   33   1HB   ASP   6          2HB       ASP   6   2.091   7.879  -0.351
   34   2HB   ASP   6          1HB       ASP   6   1.464   8.938  -1.614
   35    H    ASN   7           H        ASN   7   1.216   7.608  -2.892
   36    HA   ASN   7           HA       ASN   7  -0.682   8.450  -4.767
   37   1HB   ASN   7          2HB       ASN   7   0.727   7.314  -6.371
   38   2HB   ASN   7          1HB       ASN   7   1.771   7.894  -5.072
   39   1HD2  ASN   7          1HD2      ASN   7   0.063   4.957  -6.224
   40   2HD2  ASN   7          2HD2      ASN   7   1.115   3.861  -5.466
   41    H    PHE   8           H        PHE   8  -0.478   5.341  -3.120
   42    HA   PHE   8           HA       PHE   8  -2.706   4.270  -4.803
   43   1HB   PHE   8          2HB       PHE   8  -0.380   3.138  -4.103
   44   2HB   PHE   8          1HB       PHE   8  -1.311   2.702  -2.670
   45    HD1  PHE   8           HD1      PHE   8  -1.259   2.496  -6.389
   46    HD2  PHE   8           HD2      PHE   8  -2.964   0.987  -2.746
   47    HE1  PHE   8           HE1      PHE   8  -2.353   0.667  -7.659
   48    HE2  PHE   8           HE2      PHE   8  -4.058  -0.843  -4.017
   49    HZ   PHE   8           HZ       PHE   8  -3.752  -1.001  -6.472
   50    H    SER   9           H        SER   9  -4.662   3.566  -3.763
   51    HA   SER   9           HA       SER   9  -4.941   4.045  -0.843
   52   1HB   SER   9          2HB       SER   9  -6.848   5.585  -1.279
   53   2HB   SER   9          1HB       SER   9  -5.337   6.210  -1.934
   54    HG   SER   9           HG       SER   9  -6.398   6.281  -3.745
   55    H    CYS  10           H        CYS  10  -7.129   3.297  -0.078
   56    HA   CYS  10           HA       CYS  10  -8.533   1.432  -1.930
   57   1HB   CYS  10          2HB       CYS  10  -6.767   0.794   0.347
   58   2HB   CYS  10          1HB       CYS  10  -8.323  -0.034   0.392
   59    HA   PRO  11           HA       PRO  11 -11.915   3.280   0.252
   60   1HB   PRO  11          2HB       PRO  11 -13.900   1.681  -0.745
   61   2HB   PRO  11          1HB       PRO  11 -13.132   2.975  -1.688
   62   1HG   PRO  11          2HG       PRO  11 -12.674   0.040  -1.774
   63   2HG   PRO  11          1HG       PRO  11 -12.680   1.223  -3.090
   64   1HD   PRO  11          2HD       PRO  11 -10.405   0.190  -1.962
   65   2HD   PRO  11          1HD       PRO  11 -10.486   1.766  -2.781
   66    H    ALA  12           H        ALA  12 -10.827   2.166   2.255
   67    HA   ALA  12           HA       ALA  12 -10.971   0.690   4.118
   68   1HB   ALA  12          1HB       ALA  12 -13.510   0.549   4.733
   69   2HB   ALA  12          2HB       ALA  12 -13.733   1.582   3.322
   70   3HB   ALA  12          3HB       ALA  12 -12.740   2.135   4.670
   71    H    GLY  13           H        GLY  13 -11.045  -0.628   1.364
   72   1HA   GLY  13          2HA       GLY  13 -12.288  -3.187   2.276
   73   2HA   GLY  13          1HA       GLY  13 -12.508  -2.622   0.618
   74    H    SER  14           H        SER  14  -9.608  -2.590   2.694
   75    HA   SER  14           HA       SER  14  -8.289  -4.760   1.308
   76   1HB   SER  14          2HB       SER  14  -8.321  -2.077   0.152
   77   2HB   SER  14          1HB       SER  14  -6.681  -2.657   0.419
   78    HG   SER  14           HG       SER  14  -8.522  -3.432  -1.412
   79    H    THR  15           H        THR  15  -5.623  -3.737   1.501
   80    HA   THR  15           HA       THR  15  -5.331  -2.791   4.305
   81    HB   THR  15           HB       THR  15  -3.734  -5.177   3.532
   82    HG1  THR  15           HG1      THR  15  -5.674  -5.864   2.762
   83   1HG2  THR  15          1HG2      THR  15  -4.458  -3.758   5.875
   84   2HG2  THR  15          2HG2      THR  15  -3.457  -5.205   5.760
   85   3HG2  THR  15          3HG2      THR  15  -5.197  -5.355   6.000
   86    H    CYS  16           H        CYS  16  -3.795  -1.196   4.195
   87    HA   CYS  16           HA       CYS  16  -2.086  -0.786   1.906
   88   1HB   CYS  16          2HB       CYS  16  -1.685   0.286   4.710
   89   2HB   CYS  16          1HB       CYS  16  -1.268   1.070   3.189
   90    H    SER  17           H        SER  17  -0.639  -2.489   1.499
   91    HA   SER  17           HA       SER  17   1.063  -3.429   3.776
   92   1HB   SER  17          2HB       SER  17   1.479  -5.043   1.535
   93   2HB   SER  17          1HB       SER  17   0.418  -5.408   2.893
   94    HG   SER  17           HG       SER  17  -0.372  -5.212   0.511
   95    H    SER  18           H        SER  18   3.216  -2.902   3.765
   96    HA   SER  18           HA       SER  18   4.288  -1.295   1.532
   97   1HB   SER  18          2HB       SER  18   5.200  -2.120   4.293
   98   2HB   SER  18          1HB       SER  18   6.269  -1.255   3.192
   99    HG   SER  18           HG       SER  18   5.104   0.500   3.438
  100    H    ALA  19           H        ALA  19   5.507  -2.193  -0.081
  101    HA   ALA  19           HA       ALA  19   7.461  -4.267   0.313
  102   1HB   ALA  19          1HB       ALA  19   5.800  -5.785  -1.268
  103   2HB   ALA  19          2HB       ALA  19   4.646  -4.989  -0.198
  104   3HB   ALA  19          3HB       ALA  19   5.948  -5.967   0.481
  105    H    PHE  20           H        PHE  20   8.288  -5.072  -1.872
  106    HA   PHE  20           HA       PHE  20   7.675  -3.072  -4.022
  107   1HB   PHE  20          2HB       PHE  20  10.278  -3.943  -4.464
  108   2HB   PHE  20          1HB       PHE  20   9.822  -2.422  -3.709
  109    HD1  PHE  20           HD1      PHE  20   9.285  -2.593  -1.097
  110    HD2  PHE  20           HD2      PHE  20  11.676  -5.393  -3.309
  111    HE1  PHE  20           HE1      PHE  20  10.378  -3.322   1.006
  112    HE2  PHE  20           HE2      PHE  20  12.766  -6.121  -1.207
  113    HZ   PHE  20           HZ       PHE  20  12.118  -5.087   0.952
  114    H    GLY  21           H        GLY  21   9.804  -5.918  -4.108
  115   1HA   GLY  21          2HA       GLY  21   7.841  -7.315  -5.841
  116   2HA   GLY  21          1HA       GLY  21   9.423  -6.949  -6.524
  117    H    PHE  22           H        PHE  22  11.322  -7.733  -5.086
  118    HA   PHE  22           HA       PHE  22  10.713 -10.096  -3.425
  119   1HB   PHE  22          2HB       PHE  22  11.815 -11.640  -4.960
  120   2HB   PHE  22          1HB       PHE  22  10.537 -10.792  -5.831
  121    HD1  PHE  22           HD1      PHE  22  11.229  -8.599  -7.072
  122    HD2  PHE  22           HD2      PHE  22  14.004 -11.620  -5.799
  123    HE1  PHE  22           HE1      PHE  22  12.901  -7.748  -8.696
  124    HE2  PHE  22           HE2      PHE  22  15.675 -10.770  -7.423
  125    HZ   PHE  22           HZ       PHE  22  15.122  -8.835  -8.872
  126    H    ARG  23           H        ARG  23  13.161  -8.088  -5.054
  127    HA   ARG  23           HA       ARG  23  15.204  -8.978  -3.077
  128   1HB   ARG  23          2HB       ARG  23  15.805  -9.048  -5.427
  129   2HB   ARG  23          1HB       ARG  23  15.300  -7.371  -5.645
  130   1HG   ARG  23          2HG       ARG  23  17.047  -6.630  -4.076
  131   2HG   ARG  23          1HG       ARG  23  17.552  -8.304  -3.842
  132   1HD   ARG  23          2HD       ARG  23  18.618  -8.402  -5.879
  133   2HD   ARG  23          1HD       ARG  23  17.426  -7.346  -6.663
  134    HE   ARG  23           HE       ARG  23  18.879  -5.887  -4.648
  135   1HH1  ARG  23          1HH2      ARG  23  18.263  -4.685  -7.262
  136   2HH1  ARG  23          2HH2      ARG  23  19.804  -4.654  -8.052
  137   1HH2  ARG  23          2HH1      ARG  23  21.250  -6.951  -5.892
  138   2HH2  ARG  23          1HH1      ARG  23  21.498  -5.936  -7.274
  139    H    ASN  24           H        ASN  24  15.163  -5.808  -4.608
  140    HA   ASN  24           HA       ASN  24  14.305  -4.423  -2.153
  141   1HB   ASN  24          2HB       ASN  24  16.626  -5.162  -1.696
  142   2HB   ASN  24          1HB       ASN  24  17.168  -4.329  -3.154
  143   1HD2  ASN  24          1HD2      ASN  24  18.153  -3.611  -0.547
  144   2HD2  ASN  24          2HD2      ASN  24  17.601  -2.048  -0.186
  145    H    LEU  25           H        LEU  25  12.973  -3.993  -4.386
  146    HA   LEU  25           HA       LEU  25  14.232  -1.856  -6.008
  147   1HB   LEU  25          2HB       LEU  25  12.224  -3.873  -6.299
  148   2HB   LEU  25          1HB       LEU  25  11.461  -2.308  -6.584
  149    HG   LEU  25           HG       LEU  25  12.335  -3.085  -8.696
  150   1HD1  LEU  25          1HD1      LEU  25  14.453  -1.159  -7.776
  151   2HD1  LEU  25          2HD1      LEU  25  12.765  -0.649  -7.830
  152   3HD1  LEU  25          3HD1      LEU  25  13.570  -1.192  -9.303
  153   1HD2  LEU  25          1HD2      LEU  25  13.968  -4.674  -8.341
  154   2HD2  LEU  25          2HD2      LEU  25  14.683  -3.789  -6.994
  155   3HD2  LEU  25          3HD2      LEU  25  15.012  -3.287  -8.651
  156    H    SER  26           H        SER  26  13.853  -1.165  -3.258
  157    HA   SER  26           HA       SER  26  13.051   0.718  -2.054
  158   1HB   SER  26          2HB       SER  26  13.116   1.539  -4.581
  159   2HB   SER  26          1HB       SER  26  11.363   1.461  -4.426
  160    HG   SER  26           HG       SER  26  11.976   3.481  -3.770
  161    H    LEU  27           H        LEU  27  10.413   1.820  -2.136
  162    HA   LEU  27           HA       LEU  27   8.931  -0.299  -0.813
  163   1HB   LEU  27          2HB       LEU  27   8.741   2.588  -1.354
  164   2HB   LEU  27          1HB       LEU  27   7.174   1.781  -1.282
  165    HG   LEU  27           HG       LEU  27   7.619   0.915   0.910
  166   1HD1  LEU  27          1HD1      LEU  27   9.758   0.283   1.294
  167   2HD1  LEU  27          2HD1      LEU  27  10.049   1.962   1.749
  168   3HD1  LEU  27          3HD1      LEU  27  10.390   1.421   0.105
  169   1HD2  LEU  27          1HD2      LEU  27   7.220   2.898   1.921
  170   2HD2  LEU  27          2HD2      LEU  27   7.489   3.645   0.346
  171   3HD2  LEU  27          3HD2      LEU  27   8.817   3.515   1.499
  172    H    VAL  28           H        VAL  28   7.233   1.716  -3.123
  173    HA   VAL  28           HA       VAL  28   5.956   1.160  -5.033
  174    HB   VAL  28           HB       VAL  28   7.624  -1.361  -5.109
  175   1HG1  VAL  28          1HG1      VAL  28   5.792  -1.040  -6.772
  176   2HG1  VAL  28          2HG1      VAL  28   7.387  -1.076  -7.524
  177   3HG1  VAL  28          3HG1      VAL  28   6.558   0.463  -7.286
  178   1HG2  VAL  28          1HG2      VAL  28   9.229   0.384  -4.703
  179   2HG2  VAL  28          2HG2      VAL  28   8.404   1.483  -5.809
  180   3HG2  VAL  28          3HG2      VAL  28   9.258   0.074  -6.439
  181    H    TRP  29           H        TRP  29   4.227   0.783  -3.289
  182    HA   TRP  29           HA       TRP  29   3.157  -1.963  -3.612
  183   1HB   TRP  29          2HB       TRP  29   2.809  -2.030  -1.082
  184   2HB   TRP  29          1HB       TRP  29   4.475  -2.202  -1.626
  185    HD1  TRP  29           HD1      TRP  29   6.034   0.033  -1.471
  186    HE1  TRP  29           HE1      TRP  29   5.953   1.986   0.211
  187    HE3  TRP  29           HE3      TRP  29   1.317  -0.592   0.383
  188    HZ2  TRP  29           HZ2      TRP  29   4.128   3.131   2.094
  189    HZ3  TRP  29           HZ3      TRP  29   0.436   0.937   2.119
  190    HH2  TRP  29           HH2      TRP  29   1.831   2.798   2.976
  191    H    GLY  30           H        GLY  30   0.957  -1.946  -2.161
  192   1HA   GLY  30          2HA       GLY  30  -0.360   0.680  -2.145
  193   2HA   GLY  30          1HA       GLY  30  -0.974  -0.443  -3.359
  194    H    CYS  31           H        CYS  31  -2.739  -1.532  -2.662
  195    HA   CYS  31           HA       CYS  31  -2.758  -2.627   0.099
  196   1HB   CYS  31          2HB       CYS  31  -5.110  -1.661   0.328
  197   2HB   CYS  31          1HB       CYS  31  -3.799  -0.487   0.375
  198    H    SER  32           H        SER  32  -3.662  -4.651   0.112
  199    HA   SER  32           HA       SER  32  -4.858  -5.667  -2.411
  200   1HB   SER  32          2HB       SER  32  -4.672  -7.705  -0.495
  201   2HB   SER  32          1HB       SER  32  -3.503  -7.364  -1.768
  202    HG   SER  32           HG       SER  32  -3.552  -6.370   0.891
  203    HA   PRO  33           HA       PRO  33  -8.945  -5.599  -0.778
  204   1HB   PRO  33          2HB       PRO  33 -10.043  -7.681  -2.174
  205   2HB   PRO  33          1HB       PRO  33  -9.673  -6.111  -2.913
  206   1HG   PRO  33          2HG       PRO  33  -8.146  -8.663  -3.028
  207   2HG   PRO  33          1HG       PRO  33  -8.419  -7.452  -4.292
  208   1HD   PRO  33          2HD       PRO  33  -6.094  -7.655  -2.876
  209   2HD   PRO  33          1HD       PRO  33  -6.683  -6.137  -3.587
  210    H    VAL  34           H        VAL  34  -9.665  -6.400   1.168
  211    HA   VAL  34           HA       VAL  34  -8.583  -8.969   2.162
  212    HB   VAL  34           HB       VAL  34  -8.660  -6.783   3.446
  213   1HG1  VAL  34          1HG1      VAL  34 -10.857  -6.014   2.703
  214   2HG1  VAL  34          2HG1      VAL  34 -10.867  -6.206   4.456
  215   3HG1  VAL  34          3HG1      VAL  34 -11.625  -7.424   3.432
  216   1HG2  VAL  34          1HG2      VAL  34  -8.386  -8.321   5.085
  217   2HG2  VAL  34          2HG2      VAL  34  -9.505  -9.447   4.316
  218   3HG2  VAL  34          3HG2      VAL  34 -10.119  -8.172   5.369
  219    H    GLU  35           HN       GLU  35 -10.554  -9.094  -0.010
  220    HA   GLU  35           HA       GLU  35 -12.452 -10.952   1.237
  221   1HB   GLU  35          2HB       GLU  35 -13.184  -8.398   1.409
  222   2HB   GLU  35          1HB       GLU  35 -13.689  -8.667  -0.260
  223   1HG   GLU  35          2HG       GLU  35 -15.494  -9.839   0.404
  224   2HG   GLU  35          1HG       GLU  35 -14.506 -10.880   1.431
  Start of MODEL    5
    1   1H    ASP   1          1H        ASP   1 -12.746   5.950   3.523
    2   2H    ASP   1          2H        ASP   1 -12.776   6.725   2.011
    3   3H    ASP   1          3H        ASP   1 -11.563   7.103   3.139
    4    HA   ASP   1           HA       ASP   1 -11.797   4.315   2.244
    5   1HB   ASP   1          2HB       ASP   1 -10.607   4.848   0.201
    6   2HB   ASP   1          1HB       ASP   1 -12.034   5.883   0.270
    7    H    HIS   2           H        HIS   2  -9.220   3.869   1.678
    8    HA   HIS   2           HA       HIS   2  -7.681   5.001   3.995
    9   1HB   HIS   2          2HB       HIS   2  -7.770   2.203   2.818
   10   2HB   HIS   2          1HB       HIS   2  -6.643   2.709   4.077
   11    HD1  HIS   2           HD1      HIS   2  -7.556   3.005   6.452
   12    HD2  HIS   2           HD2      HIS   2 -10.526   2.103   3.670
   13    HE1  HIS   2           HE1      HIS   2  -9.651   2.500   7.781
   14    H    VAL   3           H        VAL   3  -5.398   5.278   3.618
   15    HA   VAL   3           HA       VAL   3  -4.601   5.175   0.727
   16    HB   VAL   3           HB       VAL   3  -3.442   7.292   1.136
   17   1HG1  VAL   3          1HG1      VAL   3  -5.529   7.983   0.523
   18   2HG1  VAL   3          2HG1      VAL   3  -5.646   8.490   2.208
   19   3HG1  VAL   3          3HG1      VAL   3  -6.326   6.942   1.704
   20   1HG2  VAL   3          1HG2      VAL   3  -4.309   6.762   3.984
   21   2HG2  VAL   3          2HG2      VAL   3  -3.887   8.383   3.431
   22   3HG2  VAL   3          3HG2      VAL   3  -2.684   7.094   3.382
   23    H    CYS   4           H        CYS   4  -2.796   3.952   0.384
   24    HA   CYS   4           HA       CYS   4  -1.250   2.947   2.695
   25   1HB   CYS   4          2HB       CYS   4  -1.055   2.422  -0.290
   26   2HB   CYS   4          1HB       CYS   4  -0.304   1.459   0.982
   27    H    ASP   5           H        ASP   5  -0.777   4.970  -0.189
   28    HA   ASP   5           HA       ASP   5   1.587   6.214   1.071
   29   1HB   ASP   5          2HB       ASP   5   2.329   4.100  -0.089
   30   2HB   ASP   5          1HB       ASP   5   1.753   4.794  -1.605
   31    H    ASP   6           H        ASP   6   2.022   8.268   0.154
   32    HA   ASP   6           HA       ASP   6   0.024   9.853  -0.889
   33   1HB   ASP   6          2HB       ASP   6   2.960   9.934  -1.655
   34   2HB   ASP   6          1HB       ASP   6   1.847  11.304  -1.640
   35    H    ASN   7           H        ASN   7   2.027   7.558  -2.685
   36    HA   ASN   7           HA       ASN   7   0.747   8.420  -5.238
   37   1HB   ASN   7          2HB       ASN   7   2.679   7.650  -6.243
   38   2HB   ASN   7          1HB       ASN   7   3.326   7.962  -4.635
   39   1HD2  ASN   7          1HD2      ASN   7   2.581   5.801  -3.127
   40   2HD2  ASN   7          2HD2      ASN   7   3.136   4.351  -3.811
   41    H    PHE   8           H        PHE   8  -0.619   6.826  -3.078
   42    HA   PHE   8           HA       PHE   8  -1.726   4.740  -4.830
   43   1HB   PHE   8          2HB       PHE   8   0.457   4.174  -3.163
   44   2HB   PHE   8          1HB       PHE   8  -0.941   3.551  -2.287
   45    HD1  PHE   8           HD1      PHE   8  -2.079   1.591  -3.009
   46    HD2  PHE   8           HD2      PHE   8   0.821   3.462  -5.568
   47    HE1  PHE   8           HE1      PHE   8  -2.173  -0.357  -4.541
   48    HE2  PHE   8           HE2      PHE   8   0.727   1.515  -7.100
   49    HZ   PHE   8           HZ       PHE   8  -0.770  -0.396  -6.586
   50    H    SER   9           H        SER   9  -3.494   3.504  -3.495
   51    HA   SER   9           HA       SER   9  -4.532   4.824  -1.109
   52   1HB   SER   9          2HB       SER   9  -6.585   5.660  -2.359
   53   2HB   SER   9          1HB       SER   9  -5.093   6.526  -2.717
   54    HG   SER   9           HG       SER   9  -6.687   5.277  -4.401
   55    H    CYS  10           H        CYS  10  -7.143   4.101  -1.154
   56    HA   CYS  10           HA       CYS  10  -7.877   1.650  -2.377
   57   1HB   CYS  10          2HB       CYS  10  -5.829   1.471  -0.359
   58   2HB   CYS  10          1HB       CYS  10  -7.270   0.619   0.196
   59    HA   PRO  11           HA       PRO  11 -11.503   2.784  -0.151
   60   1HB   PRO  11          2HB       PRO  11 -12.979   0.517  -0.561
   61   2HB   PRO  11          1HB       PRO  11 -12.684   1.719  -1.834
   62   1HG   PRO  11          2HG       PRO  11 -11.387  -0.915  -1.380
   63   2HG   PRO  11          1HG       PRO  11 -11.810  -0.111  -2.897
   64   1HD   PRO  11          2HD       PRO  11  -9.275  -0.196  -1.848
   65   2HD   PRO  11          1HD       PRO  11  -9.853   1.058  -2.967
   66    H    ALA  12           H        ALA  12 -13.160   0.952   1.245
   67    HA   ALA  12           HA       ALA  12 -11.464   0.407   3.616
   68   1HB   ALA  12          1HB       ALA  12 -14.455   0.357   3.097
   69   2HB   ALA  12          2HB       ALA  12 -13.550   1.674   3.843
   70   3HB   ALA  12          3HB       ALA  12 -13.710   0.130   4.679
   71    H    GLY  13           H        GLY  13 -12.742  -1.285   0.942
   72   1HA   GLY  13          2HA       GLY  13 -13.156  -3.836   2.312
   73   2HA   GLY  13          1HA       GLY  13 -13.187  -3.581   0.567
   74    H    SER  14           H        SER  14 -10.515  -2.210   0.674
   75    HA   SER  14           HA       SER  14  -8.880  -4.707   0.769
   76   1HB   SER  14          2HB       SER  14  -9.145  -2.425  -0.964
   77   2HB   SER  14          1HB       SER  14  -7.490  -2.504  -0.370
   78    HG   SER  14           HG       SER  14  -7.576  -3.817  -2.138
   79    H    THR  15           H        THR  15  -6.421  -4.035   1.269
   80    HA   THR  15           HA       THR  15  -6.350  -2.150   3.591
   81    HB   THR  15           HB       THR  15  -4.749  -4.251   4.370
   82    HG1  THR  15           HG1      THR  15  -5.344  -5.922   3.279
   83   1HG2  THR  15          1HG2      THR  15  -6.464  -4.720   5.980
   84   2HG2  THR  15          2HG2      THR  15  -7.721  -4.098   4.911
   85   3HG2  THR  15          3HG2      THR  15  -6.551  -2.992   5.635
   86    H    CYS  16           H        CYS  16  -4.048  -1.633   4.191
   87    HA   CYS  16           HA       CYS  16  -2.417  -1.279   1.754
   88   1HB   CYS  16          2HB       CYS  16  -2.351  -0.302   4.614
   89   2HB   CYS  16          1HB       CYS  16  -1.048   0.060   3.482
   90    H    SER  17           H        SER  17  -1.064  -2.968   1.234
   91    HA   SER  17           HA       SER  17  -0.198  -4.996   3.073
   92   1HB   SER  17          2HB       SER  17  -0.372  -5.258   0.626
   93   2HB   SER  17          1HB       SER  17   0.906  -4.067   0.400
   94    HG   SER  17           HG       SER  17   1.438  -6.201   2.105
   95    H    SER  18           H        SER  18   2.532  -3.804   1.384
   96    HA   SER  18           HA       SER  18   3.621  -1.828   3.039
   97   1HB   SER  18          2HB       SER  18   3.246  -4.346   4.364
   98   2HB   SER  18          1HB       SER  18   4.975  -4.033   4.240
   99    HG   SER  18           HG       SER  18   4.192  -1.783   4.941
  100    H    ALA  19           H        ALA  19   5.056  -1.194   1.484
  101    HA   ALA  19           HA       ALA  19   6.987  -1.242   0.130
  102   1HB   ALA  19          1HB       ALA  19   8.684  -2.547   0.981
  103   2HB   ALA  19          2HB       ALA  19   7.659  -3.976   1.111
  104   3HB   ALA  19          3HB       ALA  19   7.545  -2.696   2.319
  105    H    PHE  20           H        PHE  20   8.112  -2.856  -1.527
  106    HA   PHE  20           HA       PHE  20   6.373  -3.463  -3.596
  107   1HB   PHE  20          2HB       PHE  20   9.069  -4.350  -2.698
  108   2HB   PHE  20          1HB       PHE  20   8.323  -5.276  -4.002
  109    HD1  PHE  20           HD1      PHE  20   9.361  -1.876  -2.938
  110    HD2  PHE  20           HD2      PHE  20   8.093  -4.363  -6.201
  111    HE1  PHE  20           HE1      PHE  20   9.940  -0.073  -4.536
  112    HE2  PHE  20           HE2      PHE  20   8.672  -2.558  -7.803
  113    HZ   PHE  20           HZ       PHE  20   9.596  -0.411  -6.968
  114    H    GLY  21           H        GLY  21   6.086  -5.861  -4.465
  115   1HA   GLY  21          2HA       GLY  21   4.689  -7.350  -2.308
  116   2HA   GLY  21          1HA       GLY  21   4.420  -7.562  -4.037
  117    H    PHE  22           H        PHE  22   7.678  -7.390  -3.777
  118    HA   PHE  22           HA       PHE  22   8.018 -10.280  -3.093
  119   1HB   PHE  22          2HB       PHE  22   7.673 -10.065  -5.516
  120   2HB   PHE  22          1HB       PHE  22   8.941  -8.844  -5.606
  121    HD1  PHE  22           HD1      PHE  22  11.032  -9.577  -6.316
  122    HD2  PHE  22           HD2      PHE  22   8.478 -12.295  -4.183
  123    HE1  PHE  22           HE1      PHE  22  12.736 -11.365  -6.552
  124    HE2  PHE  22           HE2      PHE  22  10.182 -14.080  -4.419
  125    HZ   PHE  22           HZ       PHE  22  12.311 -13.615  -5.604
  126    H    ARG  23           H        ARG  23  10.539  -8.510  -4.709
  127    HA   ARG  23           HA       ARG  23  12.342  -8.793  -2.460
  128   1HB   ARG  23          2HB       ARG  23  12.546  -8.509  -5.166
  129   2HB   ARG  23          1HB       ARG  23  12.946  -6.874  -4.641
  130   1HG   ARG  23          2HG       ARG  23  14.995  -7.546  -4.005
  131   2HG   ARG  23          1HG       ARG  23  14.289  -8.756  -2.933
  132   1HD   ARG  23          2HD       ARG  23  14.464 -10.456  -4.509
  133   2HD   ARG  23          1HD       ARG  23  14.362  -9.333  -5.880
  134    HE   ARG  23           HE       ARG  23  16.695  -8.618  -4.499
  135   1HH1  ARG  23          1HH2      ARG  23  15.382 -11.323  -6.195
  136   2HH1  ARG  23          2HH2      ARG  23  16.929 -11.979  -6.610
  137   1HH2  ARG  23          2HH1      ARG  23  18.720  -9.497  -4.984
  138   2HH2  ARG  23          1HH1      ARG  23  18.818 -10.946  -5.927
  139    H    ASN  24           H        ASN  24  13.630  -6.171  -2.774
  140    HA   ASN  24           HA       ASN  24  11.627  -4.437  -1.367
  141   1HB   ASN  24          2HB       ASN  24  13.814  -3.621  -0.198
  142   2HB   ASN  24          1HB       ASN  24  13.145  -5.179   0.284
  143   1HD2  ASN  24          1HD2      ASN  24  14.796  -6.688   0.497
  144   2HD2  ASN  24          2HD2      ASN  24  16.151  -6.806  -0.518
  145    H    LEU  25           H        LEU  25  11.990  -4.292  -4.159
  146    HA   LEU  25           HA       LEU  25  13.884  -2.682  -5.332
  147   1HB   LEU  25          2HB       LEU  25  10.882  -2.825  -5.530
  148   2HB   LEU  25          1HB       LEU  25  11.784  -1.717  -6.566
  149    HG   LEU  25           HG       LEU  25  13.167  -4.185  -6.645
  150   1HD1  LEU  25          1HD1      LEU  25  10.647  -4.811  -5.841
  151   2HD1  LEU  25          2HD1      LEU  25  11.627  -5.861  -6.865
  152   3HD1  LEU  25          3HD1      LEU  25  10.423  -4.796  -7.591
  153   1HD2  LEU  25          1HD2      LEU  25  11.573  -2.455  -8.482
  154   2HD2  LEU  25          2HD2      LEU  25  11.947  -4.088  -9.034
  155   3HD2  LEU  25          3HD2      LEU  25  13.252  -2.981  -8.609
  156    H    SER  26           H        SER  26  11.431  -1.641  -3.010
  157    HA   SER  26           HA       SER  26  12.872   0.694  -2.206
  158   1HB   SER  26          2HB       SER  26  11.591   0.905  -4.710
  159   2HB   SER  26          1HB       SER  26  10.580   1.813  -3.591
  160    HG   SER  26           HG       SER  26  12.048   3.295  -3.885
  161    H    LEU  27           H        LEU  27   9.370   0.611  -2.904
  162    HA   LEU  27           HA       LEU  27   8.589  -0.368  -0.311
  163   1HB   LEU  27          2HB       LEU  27   8.395   1.585   0.921
  164   2HB   LEU  27          1HB       LEU  27   9.784   1.997  -0.079
  165    HG   LEU  27           HG       LEU  27   6.899   2.796  -0.561
  166   1HD1  LEU  27          1HD1      LEU  27   7.893   5.090  -0.347
  167   2HD1  LEU  27          2HD1      LEU  27   9.418   4.335   0.119
  168   3HD1  LEU  27          3HD1      LEU  27   7.990   4.138   1.135
  169   1HD2  LEU  27          1HD2      LEU  27   7.552   3.757  -2.618
  170   2HD2  LEU  27          2HD2      LEU  27   8.364   2.192  -2.630
  171   3HD2  LEU  27          3HD2      LEU  27   9.268   3.652  -2.226
  172    H    VAL  28           H        VAL  28   7.805  -0.275  -3.288
  173    HA   VAL  28           HA       VAL  28   5.398   1.041  -3.802
  174    HB   VAL  28           HB       VAL  28   6.517  -1.676  -4.477
  175   1HG1  VAL  28          1HG1      VAL  28   4.068  -1.957  -4.454
  176   2HG1  VAL  28          2HG1      VAL  28   4.682  -1.978  -6.106
  177   3HG1  VAL  28          3HG1      VAL  28   3.891  -0.533  -5.481
  178   1HG2  VAL  28          1HG2      VAL  28   5.791   0.567  -6.353
  179   2HG2  VAL  28          2HG2      VAL  28   7.008  -0.691  -6.555
  180   3HG2  VAL  28          3HG2      VAL  28   7.287   0.630  -5.422
  181    H    TRP  29           H        TRP  29   3.134  -0.159  -3.786
  182    HA   TRP  29           HA       TRP  29   2.835  -1.619  -1.186
  183   1HB   TRP  29          2HB       TRP  29   1.230   0.682  -2.330
  184   2HB   TRP  29          1HB       TRP  29   0.760  -0.230  -0.893
  185    HD1  TRP  29           HD1      TRP  29   3.760   1.836  -2.189
  186    HE1  TRP  29           HE1      TRP  29   4.903   2.945  -0.161
  187    HE3  TRP  29           HE3      TRP  29   0.983  -0.173   1.590
  188    HZ2  TRP  29           HZ2      TRP  29   4.674   2.969   2.691
  189    HZ3  TRP  29           HZ3      TRP  29   1.469   0.399   3.951
  190    HH2  TRP  29           HH2      TRP  29   3.309   1.970   4.506
  191    H    GLY  30           H        GLY  30   1.526  -3.403  -1.294
  192   1HA   GLY  30          2HA       GLY  30   0.106  -3.876  -3.886
  193   2HA   GLY  30          1HA       GLY  30   0.738  -5.159  -2.853
  194    H    CYS  31           H        CYS  31  -1.751  -2.638  -3.043
  195    HA   CYS  31           HA       CYS  31  -3.174  -3.146  -0.668
  196   1HB   CYS  31          2HB       CYS  31  -3.524  -1.845  -3.202
  197   2HB   CYS  31          1HB       CYS  31  -5.006  -2.718  -2.814
  198    H    SER  32           H        SER  32  -4.872  -4.620  -0.152
  199    HA   SER  32           HA       SER  32  -5.445  -6.802  -2.103
  200   1HB   SER  32          2HB       SER  32  -4.297  -7.075   0.689
  201   2HB   SER  32          1HB       SER  32  -4.970  -8.428  -0.217
  202    HG   SER  32           HG       SER  32  -2.545  -7.634  -0.332
  203    HA   PRO  33           HA       PRO  33  -9.461  -6.136  -0.381
  204   1HB   PRO  33          2HB       PRO  33 -10.687  -8.326  -1.472
  205   2HB   PRO  33          1HB       PRO  33 -10.285  -6.874  -2.414
  206   1HG   PRO  33          2HG       PRO  33  -8.856  -9.481  -2.254
  207   2HG   PRO  33          1HG       PRO  33  -9.136  -8.432  -3.651
  208   1HD   PRO  33          2HD       PRO  33  -6.767  -8.542  -2.310
  209   2HD   PRO  33          1HD       PRO  33  -7.335  -7.101  -3.181
  210    H    VAL  34           H        VAL  34  -9.864  -6.588   1.756
  211    HA   VAL  34           HA       VAL  34  -8.878  -8.964   3.087
  212    HB   VAL  34           HB       VAL  34 -10.988  -6.963   3.957
  213   1HG1  VAL  34          1HG1      VAL  34 -10.314  -7.540   6.195
  214   2HG1  VAL  34          2HG1      VAL  34  -8.956  -8.496   5.601
  215   3HG1  VAL  34          3HG1      VAL  34 -10.608  -9.055   5.341
  216   1HG2  VAL  34          1HG2      VAL  34  -9.313  -5.458   3.592
  217   2HG2  VAL  34          2HG2      VAL  34  -8.075  -6.711   3.507
  218   3HG2  VAL  34          3HG2      VAL  34  -8.634  -6.129   5.074
  219    H    GLU  35           HN       GLU  35 -10.054 -10.400   1.352
  220    HA   GLU  35           HA       GLU  35 -12.881 -10.718   1.311
  221   1HB   GLU  35          2HB       GLU  35 -12.328 -12.886   0.322
  222   2HB   GLU  35          1HB       GLU  35 -11.183 -11.677  -0.262
  223   1HG   GLU  35          2HG       GLU  35  -9.587 -12.383   1.526
  224   2HG   GLU  35          1HG       GLU  35 -10.714 -13.662   1.981
  Start of MODEL    6
    1   1H    ASP   1          1H        ASP   1 -11.349   8.220   1.800
    2   2H    ASP   1          2H        ASP   1 -11.852   6.636   2.156
    3   3H    ASP   1          3H        ASP   1 -12.348   7.384   0.712
    4    HA   ASP   1           HA       ASP   1 -10.640   5.942   0.040
    5   1HB   ASP   1          2HB       ASP   1  -9.738   8.793   0.528
    6   2HB   ASP   1          1HB       ASP   1  -8.836   7.670  -0.491
    7    H    HIS   2           H        HIS   2  -8.972   4.608   0.706
    8    HA   HIS   2           HA       HIS   2  -7.778   5.153   3.396
    9   1HB   HIS   2          2HB       HIS   2  -8.046   2.607   1.760
   10   2HB   HIS   2          1HB       HIS   2  -7.439   2.705   3.411
   11    HD1  HIS   2           HD1      HIS   2  -9.280   4.057   5.077
   12    HD2  HIS   2           HD2      HIS   2 -10.751   2.028   1.740
   13    HE1  HIS   2           HE1      HIS   2 -11.746   3.670   5.503
   14    H    VAL   3           H        VAL   3  -6.176   6.638   2.307
   15    HA   VAL   3           HA       VAL   3  -4.338   5.655   0.302
   16    HB   VAL   3           HB       VAL   3  -3.226   7.744   0.709
   17   1HG1  VAL   3          1HG1      VAL   3  -5.636   9.020   1.456
   18   2HG1  VAL   3          2HG1      VAL   3  -6.103   7.573   0.562
   19   3HG1  VAL   3          3HG1      VAL   3  -5.027   8.759  -0.177
   20   1HG2  VAL   3          1HG2      VAL   3  -2.971   7.493   3.145
   21   2HG2  VAL   3          2HG2      VAL   3  -4.698   7.773   3.361
   22   3HG2  VAL   3          3HG2      VAL   3  -3.665   9.066   2.756
   23    H    CYS   4           H        CYS   4  -2.172   4.952   0.591
   24    HA   CYS   4           HA       CYS   4  -1.597   3.783   3.282
   25   1HB   CYS   4          2HB       CYS   4  -0.473   3.258   0.510
   26   2HB   CYS   4          1HB       CYS   4  -0.066   2.342   1.962
   27    H    ASP   5           H        ASP   5   0.493   4.903   0.609
   28    HA   ASP   5           HA       ASP   5   2.053   6.501   2.618
   29   1HB   ASP   5          2HB       ASP   5   3.099   4.375   1.799
   30   2HB   ASP   5          1HB       ASP   5   3.029   5.013   0.159
   31    H    ASP   6           H        ASP   6  -0.108   7.599   1.098
   32    HA   ASP   6           HA       ASP   6  -0.484   9.622  -0.079
   33   1HB   ASP   6          2HB       ASP   6   1.928   9.969   0.940
   34   2HB   ASP   6          1HB       ASP   6   2.443   9.753  -0.734
   35    H    ASN   7           H        ASN   7   0.798   6.783  -1.365
   36    HA   ASN   7           HA       ASN   7   0.310   7.775  -4.156
   37   1HB   ASN   7          2HB       ASN   7   2.130   6.427  -4.881
   38   2HB   ASN   7          1HB       ASN   7   2.705   7.172  -3.390
   39   1HD2  ASN   7          1HD2      ASN   7   2.986   5.804  -1.518
   40   2HD2  ASN   7          2HD2      ASN   7   2.893   4.111  -1.615
   41    H    PHE   8           H        PHE   8  -1.263   6.222  -1.895
   42    HA   PHE   8           HA       PHE   8  -2.424   4.219  -3.784
   43   1HB   PHE   8          2HB       PHE   8  -0.946   3.797  -1.287
   44   2HB   PHE   8          1HB       PHE   8  -2.527   3.016  -1.279
   45    HD1  PHE   8           HD1      PHE   8  -3.145   1.794  -3.582
   46    HD2  PHE   8           HD2      PHE   8   0.840   2.625  -2.209
   47    HE1  PHE   8           HE1      PHE   8  -2.265   0.001  -5.053
   48    HE2  PHE   8           HE2      PHE   8   1.719   0.832  -3.679
   49    HZ   PHE   8           HZ       PHE   8   0.168  -0.480  -5.099
   50    H    SER   9           H        SER   9  -4.502   3.265  -2.436
   51    HA   SER   9           HA       SER   9  -5.812   5.250  -0.726
   52   1HB   SER   9          2HB       SER   9  -6.211   6.451  -2.687
   53   2HB   SER   9          1HB       SER   9  -6.328   4.995  -3.671
   54    HG   SER   9           HG       SER   9  -8.221   6.217  -2.013
   55    H    CYS  10           H        CYS  10  -6.324   2.474  -2.926
   56    HA   CYS  10           HA       CYS  10  -7.822   0.640  -2.708
   57   1HB   CYS  10          2HB       CYS  10  -7.227   0.824   0.238
   58   2HB   CYS  10          1HB       CYS  10  -7.274  -0.603  -0.793
   59    HA   PRO  11           HA       PRO  11 -11.232   3.352  -1.256
   60   1HB   PRO  11          2HB       PRO  11 -12.969   2.571  -3.230
   61   2HB   PRO  11          1HB       PRO  11 -11.771   3.865  -3.438
   62   1HG   PRO  11          2HG       PRO  11 -11.641   1.010  -4.298
   63   2HG   PRO  11          1HG       PRO  11 -11.143   2.473  -5.166
   64   1HD   PRO  11          2HD       PRO  11  -9.373   0.856  -3.916
   65   2HD   PRO  11          1HD       PRO  11  -9.134   2.615  -4.047
   66    H    ALA  12           H        ALA  12 -11.720   0.029  -2.548
   67    HA   ALA  12           HA       ALA  12 -14.014  -0.636  -1.044
   68   1HB   ALA  12          1HB       ALA  12 -13.576  -2.362  -2.453
   69   2HB   ALA  12          2HB       ALA  12 -12.477  -2.955  -1.208
   70   3HB   ALA  12          3HB       ALA  12 -11.862  -1.955  -2.524
   71    H    GLY  13           H        GLY  13 -10.661  -0.404  -0.067
   72   1HA   GLY  13          2HA       GLY  13 -10.471   0.070   2.442
   73   2HA   GLY  13          1HA       GLY  13 -11.404  -1.416   2.644
   74    H    SER  14           H        SER  14 -10.331  -3.206   1.016
   75    HA   SER  14           HA       SER  14  -8.552  -4.793   1.105
   76   1HB   SER  14          2HB       SER  14  -6.876  -2.420   0.339
   77   2HB   SER  14          1HB       SER  14  -6.902  -4.033  -0.367
   78    HG   SER  14           HG       SER  14  -8.281  -3.265  -1.739
   79    H    THR  15           H        THR  15  -5.730  -3.844   1.469
   80    HA   THR  15           HA       THR  15  -5.449  -2.738   4.130
   81    HB   THR  15           HB       THR  15  -5.540  -5.722   3.686
   82    HG1  THR  15           HG1      THR  15  -7.004  -5.611   5.252
   83   1HG2  THR  15          1HG2      THR  15  -3.763  -4.190   5.504
   84   2HG2  THR  15          2HG2      THR  15  -3.565  -5.810   4.835
   85   3HG2  THR  15          3HG2      THR  15  -4.621  -5.552   6.224
   86    H    CYS  16           H        CYS  16  -3.823  -1.561   2.873
   87    HA   CYS  16           HA       CYS  16  -1.778  -2.516   1.275
   88   1HB   CYS  16          2HB       CYS  16  -2.242  -0.288   3.123
   89   2HB   CYS  16          1HB       CYS  16  -0.530  -0.667   2.929
   90    H    SER  17           H        SER  17   0.572  -2.928   1.904
   91    HA   SER  17           HA       SER  17   1.015  -4.060   4.597
   92   1HB   SER  17          2HB       SER  17   0.570  -5.617   2.077
   93   2HB   SER  17          1HB       SER  17   1.689  -6.255   3.277
   94    HG   SER  17           HG       SER  17  -0.658  -6.818   3.432
   95    H    SER  18           H        SER  18   2.184  -2.089   2.476
   96    HA   SER  18           HA       SER  18   4.335  -1.483   1.696
   97   1HB   SER  18          2HB       SER  18   4.283  -2.074   4.411
   98   2HB   SER  18          1HB       SER  18   5.683  -2.971   3.828
   99    HG   SER  18           HG       SER  18   5.126  -0.203   3.614
  100    H    ALA  19           H        ALA  19   4.303  -2.868  -0.220
  101    HA   ALA  19           HA       ALA  19   5.652  -5.515   0.082
  102   1HB   ALA  19          1HB       ALA  19   4.472  -6.111  -1.826
  103   2HB   ALA  19          2HB       ALA  19   4.518  -4.476  -2.485
  104   3HB   ALA  19          3HB       ALA  19   3.391  -4.872  -1.187
  105    H    PHE  20           H        PHE  20   6.549  -5.544  -2.677
  106    HA   PHE  20           HA       PHE  20   8.383  -4.850  -4.008
  107   1HB   PHE  20          2HB       PHE  20   7.125  -2.568  -2.986
  108   2HB   PHE  20          1HB       PHE  20   8.835  -2.319  -2.634
  109    HD1  PHE  20           HD1      PHE  20  10.307  -1.619  -4.324
  110    HD2  PHE  20           HD2      PHE  20   6.512  -3.326  -5.394
  111    HE1  PHE  20           HE1      PHE  20  10.722  -1.056  -6.703
  112    HE2  PHE  20           HE2      PHE  20   6.929  -2.763  -7.773
  113    HZ   PHE  20           HZ       PHE  20   9.034  -1.628  -8.427
  114    H    GLY  21           H        GLY  21  10.398  -5.690  -3.655
  115   1HA   GLY  21          2HA       GLY  21  12.087  -4.748  -1.494
  116   2HA   GLY  21          1HA       GLY  21  11.505  -6.387  -1.201
  117    H    PHE  22           H        PHE  22  12.012  -5.318  -4.476
  118    HA   PHE  22           HA       PHE  22  14.099  -7.380  -4.827
  119   1HB   PHE  22          2HB       PHE  22  12.192  -7.097  -6.388
  120   2HB   PHE  22          1HB       PHE  22  12.731  -5.455  -6.737
  121    HD1  PHE  22           HD1      PHE  22  13.884  -9.013  -6.814
  122    HD2  PHE  22           HD2      PHE  22  14.307  -5.057  -8.432
  123    HE1  PHE  22           HE1      PHE  22  15.432  -9.886  -8.543
  124    HE2  PHE  22           HE2      PHE  22  15.856  -5.930 -10.161
  125    HZ   PHE  22           HZ       PHE  22  16.417  -8.344 -10.218
  126    H    ARG  23           H        ARG  23  13.792  -3.965  -5.858
  127    HA   ARG  23           HA       ARG  23  16.743  -3.659  -5.411
  128   1HB   ARG  23          2HB       ARG  23  15.234  -3.428  -7.722
  129   2HB   ARG  23          1HB       ARG  23  15.368  -1.756  -7.181
  130   1HG   ARG  23          2HG       ARG  23  17.771  -1.872  -7.149
  131   2HG   ARG  23          1HG       ARG  23  17.744  -3.616  -7.409
  132   1HD   ARG  23          2HD       ARG  23  17.419  -3.395  -9.664
  133   2HD   ARG  23          1HD       ARG  23  16.305  -2.028  -9.459
  134    HE   ARG  23           HE       ARG  23  18.251  -0.561  -9.162
  135   1HH1  ARG  23          2HH1      ARG  23  20.138  -2.779  -8.252
  136   2HH1  ARG  23          1HH1      ARG  23  21.184  -2.910  -9.626
  137   1HH2  ARG  23          1HH2      ARG  23  19.062  -1.170 -11.744
  138   2HH2  ARG  23          2HH2      ARG  23  20.576  -1.999 -11.601
  139    H    ASN  24           H        ASN  24  13.566  -2.551  -4.632
  140    HA   ASN  24           HA       ASN  24  12.844  -0.931  -3.067
  141   1HB   ASN  24          2HB       ASN  24  15.234  -1.933  -2.192
  142   2HB   ASN  24          1HB       ASN  24  15.614  -0.215  -2.313
  143   1HD2  ASN  24          1HD2      ASN  24  13.255   1.024  -1.558
  144   2HD2  ASN  24          2HD2      ASN  24  12.826   0.574   0.021
  145    H    LEU  25           H        LEU  25  12.282   0.405  -4.996
  146    HA   LEU  25           HA       LEU  25  13.991   2.857  -5.118
  147   1HB   LEU  25          2HB       LEU  25  13.503   2.802  -7.623
  148   2HB   LEU  25          1HB       LEU  25  14.597   1.552  -7.034
  149    HG   LEU  25           HG       LEU  25  11.763   0.784  -6.915
  150   1HD1  LEU  25          1HD1      LEU  25  11.874   0.291  -9.468
  151   2HD1  LEU  25          2HD1      LEU  25  13.077   1.580  -9.505
  152   3HD1  LEU  25          3HD1      LEU  25  11.438   1.920  -8.949
  153   1HD2  LEU  25          1HD2      LEU  25  14.365  -0.387  -7.899
  154   2HD2  LEU  25          2HD2      LEU  25  12.828  -1.209  -8.163
  155   3HD2  LEU  25          3HD2      LEU  25  13.393  -0.898  -6.519
  156    H    SER  26           H        SER  26  10.794   1.377  -5.471
  157    HA   SER  26           HA       SER  26   9.603   4.106  -5.190
  158   1HB   SER  26          2HB       SER  26   9.743   2.757  -7.553
  159   2HB   SER  26          1HB       SER  26   8.208   2.156  -6.934
  160    HG   SER  26           HG       SER  26   8.724   4.493  -8.060
  161    H    LEU  27           H        LEU  27   9.827   1.025  -3.951
  162    HA   LEU  27           HA       LEU  27   8.502  -0.202  -2.432
  163   1HB   LEU  27          2HB       LEU  27   8.118   2.659  -2.051
  164   2HB   LEU  27          1HB       LEU  27   6.700   1.747  -1.535
  165    HG   LEU  27           HG       LEU  27   8.417   2.040   0.275
  166   1HD1  LEU  27          1HD1      LEU  27   7.337   0.194   0.997
  167   2HD1  LEU  27          2HD1      LEU  27   8.630  -0.757   0.261
  168   3HD1  LEU  27          3HD1      LEU  27   7.158  -0.414  -0.650
  169   1HD2  LEU  27          1HD2      LEU  27  10.174  -0.054  -0.693
  170   2HD2  LEU  27          2HD2      LEU  27  10.586   1.561  -0.116
  171   3HD2  LEU  27          3HD2      LEU  27  10.165   1.311  -1.810
  172    H    VAL  28           H        VAL  28   5.873   2.038  -3.159
  173    HA   VAL  28           HA       VAL  28   3.702   1.569  -3.989
  174    HB   VAL  28           HB       VAL  28   5.528   0.055  -5.886
  175   1HG1  VAL  28          1HG1      VAL  28   2.716   0.027  -5.739
  176   2HG1  VAL  28          2HG1      VAL  28   3.712  -0.514  -7.091
  177   3HG1  VAL  28          3HG1      VAL  28   3.108   1.143  -7.047
  178   1HG2  VAL  28          1HG2      VAL  28   4.556   2.901  -5.685
  179   2HG2  VAL  28          2HG2      VAL  28   5.009   2.220  -7.249
  180   3HG2  VAL  28          3HG2      VAL  28   6.195   2.310  -5.948
  181    H    TRP  29           H        TRP  29   2.831   0.266  -2.289
  182    HA   TRP  29           HA       TRP  29   3.419  -2.620  -2.204
  183   1HB   TRP  29          2HB       TRP  29   1.224  -1.260  -0.672
  184   2HB   TRP  29          1HB       TRP  29   2.298  -2.552  -0.154
  185    HD1  TRP  29           HD1      TRP  29   4.927  -0.754  -1.271
  186    HE1  TRP  29           HE1      TRP  29   5.794   1.067   0.336
  187    HE3  TRP  29           HE3      TRP  29   0.857  -0.258   1.760
  188    HZ2  TRP  29           HZ2      TRP  29   4.878   2.537   2.616
  189    HZ3  TRP  29           HZ3      TRP  29   0.877   1.356   3.644
  190    HH2  TRP  29           HH2      TRP  29   2.883   2.752   4.077
  191    H    GLY  30           H        GLY  30   0.527  -3.023  -1.321
  192   1HA   GLY  30          2HA       GLY  30  -0.974  -2.732  -3.843
  193   2HA   GLY  30          1HA       GLY  30  -0.599  -4.390  -3.375
  194    H    CYS  31           H        CYS  31  -3.151  -2.550  -3.405
  195    HA   CYS  31           HA       CYS  31  -4.074  -2.376  -0.684
  196   1HB   CYS  31          2HB       CYS  31  -5.542  -2.620  -3.333
  197   2HB   CYS  31          1HB       CYS  31  -6.280  -2.103  -1.817
  198    H    SER  32           H        SER  32  -3.333  -4.609   0.021
  199    HA   SER  32           HA       SER  32  -4.281  -7.059  -0.966
  200   1HB   SER  32          2HB       SER  32  -3.080  -5.968   1.405
  201   2HB   SER  32          1HB       SER  32  -4.326  -7.119   1.883
  202    HG   SER  32           HG       SER  32  -2.624  -7.811  -0.219
  203    HA   PRO  33           HA       PRO  33  -8.640  -6.653  -0.314
  204   1HB   PRO  33          2HB       PRO  33  -9.304  -9.265  -0.792
  205   2HB   PRO  33          1HB       PRO  33  -8.898  -8.118  -2.083
  206   1HG   PRO  33          2HG       PRO  33  -7.218 -10.230  -0.830
  207   2HG   PRO  33          1HG       PRO  33  -7.312  -9.718  -2.522
  208   1HD   PRO  33          2HD       PRO  33  -5.306  -8.968  -0.831
  209   2HD   PRO  33          1HD       PRO  33  -5.838  -7.994  -2.219
  210    H    VAL  34           H        VAL  34 -10.151  -7.197   1.350
  211    HA   VAL  34           HA       VAL  34  -8.925  -8.436   3.759
  212    HB   VAL  34           HB       VAL  34  -9.933  -6.209   3.922
  213   1HG1  VAL  34          1HG1      VAL  34 -12.566  -6.272   3.649
  214   2HG1  VAL  34          2HG1      VAL  34 -12.205  -7.619   2.568
  215   3HG1  VAL  34          3HG1      VAL  34 -11.530  -6.023   2.243
  216   1HG2  VAL  34          1HG2      VAL  34 -12.049  -7.829   5.233
  217   2HG2  VAL  34          2HG2      VAL  34 -10.966  -6.621   5.925
  218   3HG2  VAL  34          3HG2      VAL  34 -10.388  -8.261   5.635
  219    H    GLU  35           HN       GLU  35  -9.314 -10.524   2.215
  220    HA   GLU  35           HA       GLU  35 -11.986 -11.651   2.993
  221   1HB   GLU  35          2HB       GLU  35 -11.215 -11.084   0.484
  222   2HB   GLU  35          1HB       GLU  35 -10.469 -12.677   0.632
  223   1HG   GLU  35          2HG       GLU  35 -12.813 -13.377   1.594
  224   2HG   GLU  35          1HG       GLU  35 -13.377 -11.931   0.755
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1  -6.813   0.778   1.103
    2   2H    ASP   1          2H        ASP   1  -7.004  -0.014   2.595
    3   3H    ASP   1          3H        ASP   1  -5.738   1.098   2.376
    4    HA   ASP   1           HA       ASP   1  -8.620   1.835   2.242
    5   1HB   ASP   1          2HB       ASP   1  -6.703   1.350   4.445
    6   2HB   ASP   1          1HB       ASP   1  -7.571   2.881   4.553
    7    H    HIS   2           H        HIS   2  -8.899   4.071   2.031
    8    HA   HIS   2           HA       HIS   2  -7.550   5.661   0.351
    9   1HB   HIS   2          2HB       HIS   2  -8.242   7.588   1.922
   10   2HB   HIS   2          1HB       HIS   2  -9.507   6.464   1.423
   11    HD1  HIS   2           HD1      HIS   2  -7.309   7.323   4.370
   12    HD2  HIS   2           HD2      HIS   2 -10.580   4.885   3.506
   13    HE1  HIS   2           HE1      HIS   2  -8.154   6.444   6.589
   14    H    VAL   3           H        VAL   3  -5.813   7.127   0.346
   15    HA   VAL   3           HA       VAL   3  -3.643   7.861   0.809
   16    HB   VAL   3           HB       VAL   3  -5.258   8.613   2.789
   17   1HG1  VAL   3          1HG1      VAL   3  -3.292   7.712   4.699
   18   2HG1  VAL   3          2HG1      VAL   3  -4.053   6.318   3.947
   19   3HG1  VAL   3          3HG1      VAL   3  -5.041   7.528   4.751
   20   1HG2  VAL   3          1HG2      VAL   3  -3.178   9.719   1.853
   21   2HG2  VAL   3          2HG2      VAL   3  -2.255   8.842   3.071
   22   3HG2  VAL   3          3HG2      VAL   3  -3.474  10.017   3.567
   23    H    CYS   4           H        CYS   4  -1.579   7.084   1.206
   24    HA   CYS   4           HA       CYS   4  -0.810   4.949   2.904
   25   1HB   CYS   4          2HB       CYS   4  -2.478   4.037   0.924
   26   2HB   CYS   4          1HB       CYS   4  -0.897   3.801   0.178
   27    H    ASP   5           H        ASP   5   0.945   6.544   2.941
   28    HA   ASP   5           HA       ASP   5   3.171   7.127   2.368
   29   1HB   ASP   5          2HB       ASP   5   2.649   4.618   1.216
   30   2HB   ASP   5          1HB       ASP   5   3.335   5.583  -0.093
   31    H    ASP   6           H        ASP   6   0.580   8.249   1.092
   32    HA   ASP   6           HA       ASP   6   0.032   9.861  -0.548
   33   1HB   ASP   6          2HB       ASP   6   2.887  10.201   0.237
   34   2HB   ASP   6          1HB       ASP   6   2.323  11.126  -1.155
   35    H    ASN   7           H        ASN   7   1.165   7.064  -1.387
   36    HA   ASN   7           HA       ASN   7   1.469   7.798  -4.265
   37   1HB   ASN   7          2HB       ASN   7   3.709   7.520  -3.253
   38   2HB   ASN   7          1HB       ASN   7   3.248   5.916  -2.682
   39   1HD2  ASN   7          1HD2      ASN   7   3.851   4.247  -4.069
   40   2HD2  ASN   7          2HD2      ASN   7   4.093   4.406  -5.741
   41    H    PHE   8           H        PHE   8  -0.380   6.247  -2.143
   42    HA   PHE   8           HA       PHE   8  -1.563   4.458  -4.065
   43   1HB   PHE   8          2HB       PHE   8   0.708   3.409  -3.426
   44   2HB   PHE   8          1HB       PHE   8  -0.029   3.076  -1.859
   45    HD1  PHE   8           HD1      PHE   8  -2.016   1.591  -1.691
   46    HD2  PHE   8           HD2      PHE   8   0.065   2.188  -5.401
   47    HE1  PHE   8           HE1      PHE   8  -3.133  -0.411  -2.639
   48    HE2  PHE   8           HE2      PHE   8  -1.050   0.185  -6.349
   49    HZ   PHE   8           HZ       PHE   8  -2.648  -1.114  -4.968
   50    H    SER   9           H        SER   9  -3.298   3.105  -3.014
   51    HA   SER   9           HA       SER   9  -3.996   3.176  -0.281
   52   1HB   SER   9          2HB       SER   9  -5.788   5.106  -0.665
   53   2HB   SER   9          1HB       SER   9  -4.134   5.488  -0.193
   54    HG   SER   9           HG       SER   9  -5.288   6.452  -2.224
   55    H    CYS  10           H        CYS  10  -5.907   2.039   0.042
   56    HA   CYS  10           HA       CYS  10  -7.551   1.406  -2.392
   57   1HB   CYS  10          2HB       CYS  10  -6.072  -0.214  -0.455
   58   2HB   CYS  10          1HB       CYS  10  -7.759  -0.707  -0.566
   59    HA   PRO  11           HA       PRO  11 -10.964   2.294   0.265
   60   1HB   PRO  11          2HB       PRO  11 -12.788   0.313  -0.208
   61   2HB   PRO  11          1HB       PRO  11 -12.361   1.544  -1.412
   62   1HG   PRO  11          2HG       PRO  11 -11.683  -1.302  -1.337
   63   2HG   PRO  11          1HG       PRO  11 -11.672  -0.175  -2.698
   64   1HD   PRO  11          2HD       PRO  11  -9.443  -1.110  -1.154
   65   2HD   PRO  11          1HD       PRO  11  -9.430   0.006  -2.537
   66    H    ALA  12           H        ALA  12 -12.760   0.969   1.797
   67    HA   ALA  12           HA       ALA  12 -11.110  -0.093   3.984
   68   1HB   ALA  12          1HB       ALA  12 -12.765   1.074   5.001
   69   2HB   ALA  12          2HB       ALA  12 -13.826  -0.286   4.630
   70   3HB   ALA  12          3HB       ALA  12 -13.740   1.090   3.531
   71    H    GLY  13           H        GLY  13 -12.345  -1.503   1.261
   72   1HA   GLY  13          2HA       GLY  13 -13.370  -3.954   2.549
   73   2HA   GLY  13          1HA       GLY  13 -13.302  -3.651   0.812
   74    H    SER  14           H        SER  14 -10.452  -2.775   0.999
   75    HA   SER  14           HA       SER  14  -9.253  -5.511   1.179
   76   1HB   SER  14          2HB       SER  14  -8.134  -3.064  -0.197
   77   2HB   SER  14          1HB       SER  14  -7.763  -4.757  -0.519
   78    HG   SER  14           HG       SER  14  -9.524  -3.308  -1.740
   79    H    THR  15           H        THR  15  -6.549  -4.261   1.094
   80    HA   THR  15           HA       THR  15  -6.290  -2.702   3.567
   81    HB   THR  15           HB       THR  15  -5.160  -5.509   3.479
   82    HG1  THR  15           HG1      THR  15  -6.974  -5.797   5.055
   83   1HG2  THR  15          1HG2      THR  15  -5.797  -4.267   6.049
   84   2HG2  THR  15          2HG2      THR  15  -4.634  -3.330   5.111
   85   3HG2  THR  15          3HG2      THR  15  -4.295  -5.016   5.506
   86    H    CYS  16           H        CYS  16  -4.620  -1.349   3.100
   87    HA   CYS  16           HA       CYS  16  -2.863  -1.508   0.912
   88   1HB   CYS  16          2HB       CYS  16  -3.374   0.116   3.164
   89   2HB   CYS  16          1HB       CYS  16  -1.650  -0.246   3.221
   90    H    SER  17           H        SER  17  -1.258  -2.994   0.495
   91    HA   SER  17           HA       SER  17  -0.312  -4.863   2.502
   92   1HB   SER  17          2HB       SER  17  -0.065  -4.338  -0.362
   93   2HB   SER  17          1HB       SER  17   1.451  -4.898   0.338
   94    HG   SER  17           HG       SER  17  -0.299  -6.478  -0.394
   95    H    SER  18           H        SER  18   2.007  -3.128   0.481
   96    HA   SER  18           HA       SER  18   3.072  -1.401   2.508
   97   1HB   SER  18          2HB       SER  18   4.718  -2.747   3.501
   98   2HB   SER  18          1HB       SER  18   3.389  -3.886   3.311
   99    HG   SER  18           HG       SER  18   4.520  -4.139   1.096
  100    H    ALA  19           H        ALA  19   5.895  -2.436   1.607
  101    HA   ALA  19           HA       ALA  19   6.231  -2.192  -1.182
  102   1HB   ALA  19          1HB       ALA  19   5.603   0.295   0.309
  103   2HB   ALA  19          2HB       ALA  19   5.365  -0.079  -1.397
  104   3HB   ALA  19          3HB       ALA  19   6.955   0.416  -0.817
  105    H    PHE  20           H        PHE  20   8.561  -1.580  -1.728
  106    HA   PHE  20           HA       PHE  20  10.298  -2.073   0.661
  107   1HB   PHE  20          2HB       PHE  20  11.884  -2.628  -1.470
  108   2HB   PHE  20          1HB       PHE  20  10.870  -3.823  -0.678
  109    HD1  PHE  20           HD1      PHE  20  10.623  -1.188  -3.353
  110    HD2  PHE  20           HD2      PHE  20   9.450  -5.090  -1.995
  111    HE1  PHE  20           HE1      PHE  20   9.426  -1.573  -5.491
  112    HE2  PHE  20           HE2      PHE  20   8.251  -5.474  -4.130
  113    HZ   PHE  20           HZ       PHE  20   8.241  -3.719  -5.879
  114    H    GLY  21           H        GLY  21  10.939  -0.054   1.346
  115   1HA   GLY  21          2HA       GLY  21  11.701   2.006  -0.627
  116   2HA   GLY  21          1HA       GLY  21  11.648   2.217   1.125
  117    H    PHE  22           H        PHE  22  13.193  -0.661   0.512
  118    HA   PHE  22           HA       PHE  22  15.897   0.638   0.461
  119   1HB   PHE  22          2HB       PHE  22  15.091  -0.134   2.714
  120   2HB   PHE  22          1HB       PHE  22  14.977  -1.769   2.065
  121    HD1  PHE  22           HD1      PHE  22  17.576   0.781   1.282
  122    HD2  PHE  22           HD2      PHE  22  16.667  -2.902   3.297
  123    HE1  PHE  22           HE1      PHE  22  19.989   0.432   1.734
  124    HE2  PHE  22           HE2      PHE  22  19.080  -3.250   3.748
  125    HZ   PHE  22           HZ       PHE  22  20.741  -1.584   2.966
  126    H    ARG  23           H        ARG  23  17.518  -0.593  -0.656
  127    HA   ARG  23           HA       ARG  23  18.356  -2.234  -2.151
  128   1HB   ARG  23          2HB       ARG  23  16.611  -3.517  -0.403
  129   2HB   ARG  23          1HB       ARG  23  16.014  -3.989  -1.995
  130   1HG   ARG  23          2HG       ARG  23  17.777  -5.534  -1.082
  131   2HG   ARG  23          1HG       ARG  23  18.200  -4.816  -2.636
  132   1HD   ARG  23          2HD       ARG  23  19.080  -3.043  -0.549
  133   2HD   ARG  23          1HD       ARG  23  19.694  -4.676  -0.220
  134    HE   ARG  23           HE       ARG  23  19.926  -3.909  -3.029
  135   1HH1  ARG  23          1HH2      ARG  23  21.608  -5.295  -0.586
  136   2HH1  ARG  23          2HH2      ARG  23  23.106  -4.470  -0.859
  137   1HH2  ARG  23          2HH1      ARG  23  21.753  -2.189  -3.092
  138   2HH2  ARG  23          1HH1      ARG  23  23.186  -2.708  -2.270
  139    H    ASN  24           H        ASN  24  14.778  -2.067  -2.471
  140    HA   ASN  24           HA       ASN  24  14.962  -2.145  -5.401
  141   1HB   ASN  24          2HB       ASN  24  12.869  -2.119  -3.264
  142   2HB   ASN  24          1HB       ASN  24  12.385  -1.644  -4.892
  143   1HD2  ASN  24          1HD2      ASN  24  15.026  -3.924  -4.588
  144   2HD2  ASN  24          2HD2      ASN  24  14.152  -5.299  -5.067
  145    H    LEU  25           H        LEU  25  15.127   0.273  -2.998
  146    HA   LEU  25           HA       LEU  25  14.953   2.631  -3.078
  147   1HB   LEU  25          2HB       LEU  25  15.794   1.820  -5.876
  148   2HB   LEU  25          1HB       LEU  25  15.796   3.496  -5.323
  149    HG   LEU  25           HG       LEU  25  18.017   2.673  -4.967
  150   1HD1  LEU  25          1HD1      LEU  25  16.550   3.739  -2.966
  151   2HD1  LEU  25          2HD1      LEU  25  18.248   3.304  -2.771
  152   3HD1  LEU  25          3HD1      LEU  25  16.987   2.204  -2.215
  153   1HD2  LEU  25          1HD2      LEU  25  17.199   0.445  -3.181
  154   2HD2  LEU  25          2HD2      LEU  25  18.536   0.533  -4.329
  155   3HD2  LEU  25          3HD2      LEU  25  16.901   0.202  -4.902
  156    H    SER  26           H        SER  26  12.493   1.025  -3.708
  157    HA   SER  26           HA       SER  26  10.978   3.212  -5.059
  158   1HB   SER  26          2HB       SER  26   9.791   0.906  -6.004
  159   2HB   SER  26          1HB       SER  26  10.968   1.863  -6.897
  160    HG   SER  26           HG       SER  26  12.556   0.493  -6.281
  161    H    LEU  27           H        LEU  27   8.494   1.753  -5.016
  162    HA   LEU  27           HA       LEU  27   8.140   1.259  -2.080
  163   1HB   LEU  27          2HB       LEU  27   7.118   3.329  -3.805
  164   2HB   LEU  27          1HB       LEU  27   5.773   2.361  -3.199
  165    HG   LEU  27           HG       LEU  27   6.454   2.715  -0.911
  166   1HD1  LEU  27          1HD1      LEU  27   8.718   2.746  -0.657
  167   2HD1  LEU  27          2HD1      LEU  27   8.527   4.490  -0.842
  168   3HD1  LEU  27          3HD1      LEU  27   8.982   3.500  -2.229
  169   1HD2  LEU  27          1HD2      LEU  27   6.907   5.465  -1.405
  170   2HD2  LEU  27          2HD2      LEU  27   5.365   4.684  -1.056
  171   3HD2  LEU  27          3HD2      LEU  27   5.889   4.893  -2.727
  172    H    VAL  28           H        VAL  28   6.044   1.104  -4.990
  173    HA   VAL  28           HA       VAL  28   4.706  -0.675  -5.793
  174    HB   VAL  28           HB       VAL  28   7.129  -1.983  -4.555
  175   1HG1  VAL  28          1HG1      VAL  28   6.030  -3.908  -6.192
  176   2HG1  VAL  28          2HG1      VAL  28   4.606  -3.241  -5.393
  177   3HG1  VAL  28          3HG1      VAL  28   5.927  -3.904  -4.432
  178   1HG2  VAL  28          1HG2      VAL  28   7.925  -2.089  -6.744
  179   2HG2  VAL  28          2HG2      VAL  28   6.988  -0.596  -6.805
  180   3HG2  VAL  28          3HG2      VAL  28   6.305  -2.093  -7.441
  181    H    TRP  29           H        TRP  29   2.753  -0.845  -4.711
  182    HA   TRP  29           HA       TRP  29   2.790  -2.035  -1.954
  183   1HB   TRP  29          2HB       TRP  29   1.108   0.063  -3.324
  184   2HB   TRP  29          1HB       TRP  29   0.540  -0.743  -1.863
  185    HD1  TRP  29           HD1      TRP  29   3.656   1.195  -3.075
  186    HE1  TRP  29           HE1      TRP  29   4.608   2.515  -1.077
  187    HE3  TRP  29           HE3      TRP  29   0.490  -0.378   0.608
  188    HZ2  TRP  29           HZ2      TRP  29   4.095   2.856   1.717
  189    HZ3  TRP  29           HZ3      TRP  29   0.741   0.462   2.927
  190    HH2  TRP  29           HH2      TRP  29   2.539   2.075   3.485
  191    H    GLY  30           H        GLY  30   0.418  -2.955  -1.508
  192   1HA   GLY  30          2HA       GLY  30  -0.658  -4.332  -3.911
  193   2HA   GLY  30          1HA       GLY  30  -0.092  -5.339  -2.578
  194    H    CYS  31           H        CYS  31  -2.846  -5.074  -3.605
  195    HA   CYS  31           HA       CYS  31  -4.151  -4.008  -1.120
  196   1HB   CYS  31          2HB       CYS  31  -4.458  -2.772  -3.345
  197   2HB   CYS  31          1HB       CYS  31  -5.367  -4.183  -3.888
  198    H    SER  32           H        SER  32  -4.902  -5.717   0.064
  199    HA   SER  32           HA       SER  32  -5.719  -8.210  -1.368
  200   1HB   SER  32          2HB       SER  32  -4.461  -7.482   1.208
  201   2HB   SER  32          1HB       SER  32  -5.633  -8.792   1.304
  202    HG   SER  32           HG       SER  32  -3.146  -8.713   0.149
  203    HA   PRO  33           HA       PRO  33  -9.821  -6.698  -0.273
  204   1HB   PRO  33          2HB       PRO  33 -11.158  -8.447  -1.900
  205   2HB   PRO  33          1HB       PRO  33 -10.413  -6.950  -2.496
  206   1HG   PRO  33          2HG       PRO  33  -9.425  -9.749  -2.660
  207   2HG   PRO  33          1HG       PRO  33  -9.306  -8.437  -3.842
  208   1HD   PRO  33          2HD       PRO  33  -7.247  -9.216  -2.215
  209   2HD   PRO  33          1HD       PRO  33  -7.412  -7.582  -2.894
  210    H    VAL  34           H        VAL  34 -11.591  -7.710   0.927
  211    HA   VAL  34           HA       VAL  34 -10.725  -9.978   2.569
  212    HB   VAL  34           HB       VAL  34 -13.305  -8.382   2.435
  213   1HG1  VAL  34          1HG1      VAL  34 -12.946  -9.270   5.029
  214   2HG1  VAL  34          2HG1      VAL  34 -12.399 -10.648   4.074
  215   3HG1  VAL  34          3HG1      VAL  34 -14.026 -10.008   3.846
  216   1HG2  VAL  34          1HG2      VAL  34 -10.762  -7.508   3.105
  217   2HG2  VAL  34          2HG2      VAL  34 -11.453  -7.937   4.669
  218   3HG2  VAL  34          3HG2      VAL  34 -12.269  -6.761   3.637
  219    H    GLU  35           HN       GLU  35 -12.697  -9.502  -0.256
  220    HA   GLU  35           HA       GLU  35 -13.287 -12.416  -0.318
  221   1HB   GLU  35          2HB       GLU  35 -15.680 -11.946  -0.709
  222   2HB   GLU  35          1HB       GLU  35 -15.166 -11.283   0.844
  223   1HG   GLU  35          2HG       GLU  35 -16.341  -9.484  -0.077
  224   2HG   GLU  35          1HG       GLU  35 -14.682  -9.112  -0.545
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1 -12.212   5.637   2.504
    2   2H    ASP   1          2H        ASP   1 -12.379   4.052   1.914
    3   3H    ASP   1          3H        ASP   1 -13.085   5.353   1.079
    4    HA   ASP   1           HA       ASP   1 -10.938   4.439   0.108
    5   1HB   ASP   1          2HB       ASP   1 -11.604   7.282   0.860
    6   2HB   ASP   1          1HB       ASP   1 -10.189   6.934  -0.135
    7    H    HIS   2           H        HIS   2  -8.969   3.687   0.794
    8    HA   HIS   2           HA       HIS   2  -7.880   4.645   3.390
    9   1HB   HIS   2          2HB       HIS   2  -7.537   2.293   1.564
   10   2HB   HIS   2          1HB       HIS   2  -6.234   2.678   2.685
   11    HD1  HIS   2           HD1      HIS   2  -8.325   3.772   4.927
   12    HD2  HIS   2           HD2      HIS   2  -8.330   0.021   3.106
   13    HE1  HIS   2           HE1      HIS   2  -9.567   2.220   6.491
   14    H    VAL   3           H        VAL   3  -5.160   4.187   2.954
   15    HA   VAL   3           HA       VAL   3  -4.270   5.717   0.599
   16    HB   VAL   3           HB       VAL   3  -5.012   7.502   2.046
   17   1HG1  VAL   3          1HG1      VAL   3  -5.153   7.105   4.256
   18   2HG1  VAL   3          2HG1      VAL   3  -3.398   7.256   4.353
   19   3HG1  VAL   3          3HG1      VAL   3  -4.135   5.674   4.104
   20   1HG2  VAL   3          1HG2      VAL   3  -2.963   8.116   1.022
   21   2HG2  VAL   3          2HG2      VAL   3  -2.027   7.031   2.051
   22   3HG2  VAL   3          3HG2      VAL   3  -2.726   8.504   2.725
   23    H    CYS   4           H        CYS   4  -2.455   4.596   0.013
   24    HA   CYS   4           HA       CYS   4  -0.790   3.325   2.147
   25   1HB   CYS   4          2HB       CYS   4  -0.764   2.876  -0.850
   26   2HB   CYS   4          1HB       CYS   4  -0.110   1.815   0.398
   27    H    ASP   5           H        ASP   5   0.633   5.006   2.734
   28    HA   ASP   5           HA       ASP   5   2.611   6.291   2.508
   29   1HB   ASP   5          2HB       ASP   5   3.008   4.263   0.907
   30   2HB   ASP   5          1HB       ASP   5   2.702   5.431  -0.375
   31    H    ASP   6           H        ASP   6  -0.256   7.031   1.397
   32    HA   ASP   6           HA       ASP   6  -1.169   9.098   0.686
   33   1HB   ASP   6          2HB       ASP   6   1.155   9.754   1.814
   34   2HB   ASP   6          1HB       ASP   6   1.581  10.148   0.148
   35    H    ASN   7           H        ASN   7   1.768   8.256  -1.225
   36    HA   ASN   7           HA       ASN   7   0.661   9.286  -3.699
   37   1HB   ASN   7          2HB       ASN   7   2.703   8.461  -4.624
   38   2HB   ASN   7          1HB       ASN   7   3.102   8.959  -2.980
   39   1HD2  ASN   7          1HD2      ASN   7   3.048   6.268  -5.162
   40   2HD2  ASN   7          2HD2      ASN   7   3.513   5.078  -4.045
   41    H    PHE   8           H        PHE   8  -1.363   7.689  -2.779
   42    HA   PHE   8           HA       PHE   8  -1.837   5.854  -4.915
   43   1HB   PHE   8          2HB       PHE   8   0.038   4.828  -3.319
   44   2HB   PHE   8          1HB       PHE   8  -1.366   4.363  -2.360
   45    HD1  PHE   8           HD1      PHE   8  -0.974   4.655  -6.067
   46    HD2  PHE   8           HD2      PHE   8  -1.664   2.057  -2.716
   47    HE1  PHE   8           HE1      PHE   8  -1.423   2.772  -7.619
   48    HE2  PHE   8           HE2      PHE   8  -2.110   0.175  -4.269
   49    HZ   PHE   8           HZ       PHE   8  -1.990   0.533  -6.719
   50    H    SER   9           H        SER   9  -3.632   4.110  -3.884
   51    HA   SER   9           HA       SER   9  -5.293   5.259  -1.781
   52   1HB   SER   9          2HB       SER   9  -6.878   6.340  -3.083
   53   2HB   SER   9          1HB       SER   9  -5.455   6.603  -4.088
   54    HG   SER   9           HG       SER   9  -6.052   4.793  -5.304
   55    H    CYS  10           H        CYS  10  -7.154   3.897  -1.344
   56    HA   CYS  10           HA       CYS  10  -7.690   1.530  -2.982
   57   1HB   CYS  10          2HB       CYS  10  -5.815   1.545  -0.686
   58   2HB   CYS  10          1HB       CYS  10  -6.997   0.236  -0.675
   59    HA   PRO  11           HA       PRO  11 -11.463   2.110  -0.774
   60   1HB   PRO  11          2HB       PRO  11 -12.662  -0.278  -1.355
   61   2HB   PRO  11          1HB       PRO  11 -12.500   1.036  -2.536
   62   1HG   PRO  11          2HG       PRO  11 -10.876  -1.441  -2.229
   63   2HG   PRO  11          1HG       PRO  11 -11.422  -0.625  -3.703
   64   1HD   PRO  11          2HD       PRO  11  -8.890  -0.411  -2.718
   65   2HD   PRO  11          1HD       PRO  11  -9.676   0.855  -3.688
   66    H    ALA  12           H        ALA  12 -12.736   1.038   1.012
   67    HA   ALA  12           HA       ALA  12 -11.013   0.054   3.099
   68   1HB   ALA  12          1HB       ALA  12 -12.815   0.950   4.135
   69   2HB   ALA  12          2HB       ALA  12 -13.688  -0.528   3.731
   70   3HB   ALA  12          3HB       ALA  12 -13.771   0.868   2.655
   71    H    GLY  13           H        GLY  13 -12.667  -1.525   0.509
   72   1HA   GLY  13          2HA       GLY  13 -13.058  -4.093   1.777
   73   2HA   GLY  13          1HA       GLY  13 -13.045  -3.798   0.038
   74    H    SER  14           H        SER  14 -10.283  -2.421   0.732
   75    HA   SER  14           HA       SER  14  -8.729  -4.987   0.654
   76   1HB   SER  14          2HB       SER  14  -8.172  -2.306  -0.655
   77   2HB   SER  14          1HB       SER  14  -7.200  -3.762  -0.843
   78    HG   SER  14           HG       SER  14  -8.628  -3.623  -2.559
   79    H    THR  15           H        THR  15  -6.216  -3.418   0.723
   80    HA   THR  15           HA       THR  15  -6.159  -1.832   3.165
   81    HB   THR  15           HB       THR  15  -5.397  -4.761   3.162
   82    HG1  THR  15           HG1      THR  15  -7.263  -3.115   4.390
   83   1HG2  THR  15          1HG2      THR  15  -3.525  -3.881   4.236
   84   2HG2  THR  15          2HG2      THR  15  -4.633  -4.102   5.589
   85   3HG2  THR  15          3HG2      THR  15  -4.416  -2.502   4.878
   86    H    CYS  16           H        CYS  16  -4.083  -0.877   3.454
   87    HA   CYS  16           HA       CYS  16  -2.357  -0.776   1.140
   88   1HB   CYS  16          2HB       CYS  16  -2.242   0.213   3.996
   89   2HB   CYS  16          1HB       CYS  16  -0.935   0.531   2.857
   90    H    SER  17           H        SER  17  -1.387  -2.806   0.696
   91    HA   SER  17           HA       SER  17  -0.422  -4.717   2.508
   92   1HB   SER  17          2HB       SER  17  -0.343  -5.422   0.320
   93   2HB   SER  17          1HB       SER  17   0.153  -3.843  -0.274
   94    HG   SER  17           HG       SER  17   1.861  -5.422   1.321
   95    H    SER  18           H        SER  18   2.164  -3.142   0.716
   96    HA   SER  18           HA       SER  18   3.239  -1.631   2.919
   97   1HB   SER  18          2HB       SER  18   4.957  -3.232   3.632
   98   2HB   SER  18          1HB       SER  18   3.356  -3.943   3.813
   99    HG   SER  18           HG       SER  18   5.226  -5.098   2.628
  100    H    ALA  19           H        ALA  19   5.354  -3.777   1.130
  101    HA   ALA  19           HA       ALA  19   6.417  -1.397  -0.329
  102   1HB   ALA  19          1HB       ALA  19   8.494  -2.662  -0.354
  103   2HB   ALA  19          2HB       ALA  19   7.663  -4.105   0.224
  104   3HB   ALA  19          3HB       ALA  19   7.835  -2.705   1.281
  105    H    PHE  20           H        PHE  20   7.892  -2.838  -2.254
  106    HA   PHE  20           HA       PHE  20   5.939  -3.185  -4.317
  107   1HB   PHE  20          2HB       PHE  20   7.840  -3.569  -5.682
  108   2HB   PHE  20          1HB       PHE  20   8.453  -2.549  -4.383
  109    HD1  PHE  20           HD1      PHE  20   8.787  -5.672  -6.099
  110    HD2  PHE  20           HD2      PHE  20   9.525  -3.728  -2.341
  111    HE1  PHE  20           HE1      PHE  20  10.434  -7.429  -5.513
  112    HE2  PHE  20           HE2      PHE  20  11.173  -5.484  -1.756
  113    HZ   PHE  20           HZ       PHE  20  11.627  -7.337  -3.342
  114    H    GLY  21           H        GLY  21   6.905  -5.559  -5.619
  115   1HA   GLY  21          2HA       GLY  21   7.122  -7.960  -4.430
  116   2HA   GLY  21          1HA       GLY  21   5.445  -7.580  -4.033
  117    H    PHE  22           H        PHE  22   7.145  -6.759  -7.038
  118    HA   PHE  22           HA       PHE  22   5.628  -8.850  -8.501
  119   1HB   PHE  22          2HB       PHE  22   4.484  -7.235  -9.879
  120   2HB   PHE  22          1HB       PHE  22   4.220  -6.755  -8.202
  121    HD1  PHE  22           HD1      PHE  22   5.348  -5.685 -11.401
  122    HD2  PHE  22           HD2      PHE  22   5.961  -5.075  -7.194
  123    HE1  PHE  22           HE1      PHE  22   6.374  -3.478 -11.871
  124    HE2  PHE  22           HE2      PHE  22   6.989  -2.867  -7.664
  125    HZ   PHE  22           HZ       PHE  22   7.194  -2.068 -10.003
  126    H    ARG  23           H        ARG  23   7.976  -6.180  -8.580
  127    HA   ARG  23           HA       ARG  23   9.853  -7.676 -10.168
  128   1HB   ARG  23          2HB       ARG  23   8.257  -7.391 -11.939
  129   2HB   ARG  23          1HB       ARG  23   8.020  -5.691 -11.535
  130   1HG   ARG  23          2HG       ARG  23   9.510  -6.103 -13.543
  131   2HG   ARG  23          1HG       ARG  23  10.241  -5.125 -12.270
  132   1HD   ARG  23          2HD       ARG  23  11.874  -6.792 -12.973
  133   2HD   ARG  23          1HD       ARG  23  11.287  -7.260 -11.364
  134    HE   ARG  23           HE       ARG  23  10.507  -9.212 -12.435
  135   1HH1  ARG  23          2HH1      ARG  23  11.712  -8.293 -15.098
  136   2HH1  ARG  23          1HH1      ARG  23  10.318  -8.356 -16.124
  137   1HH2  ARG  23          1HH2      ARG  23   8.062  -8.504 -13.495
  138   2HH2  ARG  23          2HH2      ARG  23   8.250  -8.472 -15.215
  139    H    ASN  24           H        ASN  24   8.673  -4.339  -9.601
  140    HA   ASN  24           HA       ASN  24  11.346  -3.190  -9.716
  141   1HB   ASN  24          2HB       ASN  24   9.052  -2.141 -10.228
  142   2HB   ASN  24          1HB       ASN  24   8.859  -1.998  -8.481
  143   1HD2  ASN  24          1HD2      ASN  24   9.452   0.040 -10.811
  144   2HD2  ASN  24          2HD2      ASN  24  10.725   0.967 -10.178
  145    H    LEU  25           H        LEU  25  12.714  -2.716  -7.999
  146    HA   LEU  25           HA       LEU  25  12.063  -3.947  -5.378
  147   1HB   LEU  25          2HB       LEU  25  14.505  -2.880  -6.790
  148   2HB   LEU  25          1HB       LEU  25  14.552  -3.203  -5.057
  149    HG   LEU  25           HG       LEU  25  15.311  -5.150  -6.430
  150   1HD1  LEU  25          1HD1      LEU  25  14.046  -6.794  -5.193
  151   2HD1  LEU  25          2HD1      LEU  25  12.691  -5.681  -5.002
  152   3HD1  LEU  25          3HD1      LEU  25  14.211  -5.371  -4.164
  153   1HD2  LEU  25          1HD2      LEU  25  13.540  -4.554  -8.250
  154   2HD2  LEU  25          2HD2      LEU  25  12.426  -5.480  -7.244
  155   3HD2  LEU  25          3HD2      LEU  25  13.857  -6.256  -7.919
  156    H    SER  26           H        SER  26  10.472  -1.709  -5.795
  157    HA   SER  26           HA       SER  26  11.793   0.428  -4.153
  158   1HB   SER  26          2HB       SER  26  11.248   1.294  -6.292
  159   2HB   SER  26          1HB       SER  26   9.722   0.417  -6.350
  160    HG   SER  26           HG       SER  26   8.855   2.104  -5.471
  161    H    LEU  27           H        LEU  27   9.458   1.800  -3.420
  162    HA   LEU  27           HA       LEU  27   8.448   0.064  -1.294
  163   1HB   LEU  27          2HB       LEU  27   8.488   2.902  -2.046
  164   2HB   LEU  27          1HB       LEU  27   6.963   2.411  -1.305
  165    HG   LEU  27           HG       LEU  27   8.577   3.157   0.407
  166   1HD1  LEU  27          1HD1      LEU  27   8.037   1.472   1.892
  167   2HD1  LEU  27          2HD1      LEU  27   8.488   0.191   0.767
  168   3HD1  LEU  27          3HD1      LEU  27   6.954   1.040   0.570
  169   1HD2  LEU  27          1HD2      LEU  27  10.754   2.560   0.328
  170   2HD2  LEU  27          2HD2      LEU  27  10.416   1.801  -1.227
  171   3HD2  LEU  27          3HD2      LEU  27  10.337   0.848   0.254
  172    H    VAL  28           H        VAL  28   6.336   2.216  -3.146
  173    HA   VAL  28           HA       VAL  28   4.233   1.756  -4.136
  174    HB   VAL  28           HB       VAL  28   6.055  -0.545  -4.761
  175   1HG1  VAL  28          1HG1      VAL  28   3.820  -1.584  -4.413
  176   2HG1  VAL  28          2HG1      VAL  28   4.319  -1.640  -6.105
  177   3HG1  VAL  28          3HG1      VAL  28   3.133  -0.448  -5.576
  178   1HG2  VAL  28          1HG2      VAL  28   4.884   1.829  -6.085
  179   2HG2  VAL  28          2HG2      VAL  28   5.003   0.390  -7.099
  180   3HG2  VAL  28          3HG2      VAL  28   6.449   1.056  -6.338
  181    H    TRP  29           H        TRP  29   2.297   0.221  -3.869
  182    HA   TRP  29           HA       TRP  29   2.482  -1.397  -1.363
  183   1HB   TRP  29          2HB       TRP  29   0.632   0.904  -2.024
  184   2HB   TRP  29          1HB       TRP  29   0.281  -0.245  -0.730
  185    HD1  TRP  29           HD1      TRP  29   3.169   2.084  -1.831
  186    HE1  TRP  29           HE1      TRP  29   4.365   2.936   0.283
  187    HE3  TRP  29           HE3      TRP  29   0.548  -0.448   1.747
  188    HZ2  TRP  29           HZ2      TRP  29   4.224   2.606   3.115
  189    HZ3  TRP  29           HZ3      TRP  29   1.095  -0.155   4.147
  190    HH2  TRP  29           HH2      TRP  29   2.928   1.368   4.836
  191    H    GLY  30           H        GLY  30   1.360  -3.296  -1.523
  192   1HA   GLY  30          2HA       GLY  30  -0.179  -3.766  -4.021
  193   2HA   GLY  30          1HA       GLY  30   0.421  -5.017  -2.937
  194    H    CYS  31           H        CYS  31  -2.293  -3.089  -3.754
  195    HA   CYS  31           HA       CYS  31  -3.749  -3.135  -1.283
  196   1HB   CYS  31          2HB       CYS  31  -4.067  -2.045  -3.736
  197   2HB   CYS  31          1HB       CYS  31  -5.167  -3.415  -3.890
  198    H    SER  32           H        SER  32  -4.610  -4.885  -0.234
  199    HA   SER  32           HA       SER  32  -5.241  -7.342  -1.838
  200   1HB   SER  32          2HB       SER  32  -4.469  -7.946   0.868
  201   2HB   SER  32          1HB       SER  32  -3.690  -8.449  -0.630
  202    HG   SER  32           HG       SER  32  -2.372  -6.739  -0.533
  203    HA   PRO  33           HA       PRO  33  -9.078  -7.460   0.279
  204   1HB   PRO  33          2HB       PRO  33  -9.372 -10.094   0.958
  205   2HB   PRO  33          1HB       PRO  33  -9.504  -9.505  -0.712
  206   1HG   PRO  33          2HG       PRO  33  -7.223 -10.847   0.645
  207   2HG   PRO  33          1HG       PRO  33  -7.821 -11.038  -1.010
  208   1HD   PRO  33          2HD       PRO  33  -5.623  -9.556  -0.365
  209   2HD   PRO  33          1HD       PRO  33  -6.645  -9.228  -1.781
  210    H    VAL  34           H        VAL  34  -9.485  -6.667   2.290
  211    HA   VAL  34           HA       VAL  34  -7.733  -7.044   4.539
  212    HB   VAL  34           HB       VAL  34  -9.094  -5.060   4.253
  213   1HG1  VAL  34          1HG1      VAL  34 -11.192  -7.091   3.807
  214   2HG1  VAL  34          2HG1      VAL  34 -11.039  -5.464   3.141
  215   3HG1  VAL  34          3HG1      VAL  34 -11.707  -5.697   4.757
  216   1HG2  VAL  34          1HG2      VAL  34 -10.461  -6.512   6.512
  217   2HG2  VAL  34          2HG2      VAL  34  -9.901  -4.840   6.450
  218   3HG2  VAL  34          3HG2      VAL  34  -8.736  -6.155   6.602
  219    H    GLU  35           HN       GLU  35  -7.619  -9.394   4.731
  220    HA   GLU  35           HA       GLU  35  -9.481 -11.364   4.943
  221   1HB   GLU  35          2HB       GLU  35  -6.936 -10.696   6.164
  222   2HB   GLU  35          1HB       GLU  35  -7.923 -11.649   7.271
  223   1HG   GLU  35          2HG       GLU  35  -8.345 -13.245   5.337
  224   2HG   GLU  35          1HG       GLU  35  -7.091 -12.374   4.454
  Start of MODEL    9
    1   1H    ASP   1          1H        ASP   1 -12.658   4.156   0.328
    2   2H    ASP   1          2H        ASP   1 -13.550   5.570   0.030
    3   3H    ASP   1          3H        ASP   1 -12.612   5.437   1.439
    4    HA   ASP   1           HA       ASP   1 -11.181   5.118  -1.084
    5   1HB   ASP   1          2HB       ASP   1 -11.236   7.553  -1.466
    6   2HB   ASP   1          1HB       ASP   1 -12.873   6.896  -1.506
    7    H    HIS   2           H        HIS   2 -10.306   4.132   1.252
    8    HA   HIS   2           HA       HIS   2  -9.076   5.919   3.112
    9   1HB   HIS   2          2HB       HIS   2  -9.150   3.101   2.428
   10   2HB   HIS   2          1HB       HIS   2  -7.520   3.579   2.905
   11    HD1  HIS   2           HD1      HIS   2  -8.448   5.836   4.928
   12    HD2  HIS   2           HD2      HIS   2  -9.832   1.905   4.898
   13    HE1  HIS   2           HE1      HIS   2  -9.316   5.365   7.260
   14    H    VAL   3           H        VAL   3  -6.349   5.029   3.075
   15    HA   VAL   3           HA       VAL   3  -5.296   6.200   0.523
   16    HB   VAL   3           HB       VAL   3  -4.293   6.802   3.321
   17   1HG1  VAL   3          1HG1      VAL   3  -3.601   7.643   0.550
   18   2HG1  VAL   3          2HG1      VAL   3  -2.560   7.450   1.961
   19   3HG1  VAL   3          3HG1      VAL   3  -3.559   8.893   1.794
   20   1HG2  VAL   3          1HG2      VAL   3  -6.045   8.566   1.588
   21   2HG2  VAL   3          2HG2      VAL   3  -5.535   8.865   3.248
   22   3HG2  VAL   3          3HG2      VAL   3  -6.677   7.566   2.898
   23    H    CYS   4           H        CYS   4  -2.725   5.854   0.610
   24    HA   CYS   4           HA       CYS   4  -1.889   3.420   2.039
   25   1HB   CYS   4          2HB       CYS   4  -3.165   3.271  -0.472
   26   2HB   CYS   4          1HB       CYS   4  -1.454   3.041  -0.812
   27    H    ASP   5           H        ASP   5  -0.381   5.174   2.760
   28    HA   ASP   5           HA       ASP   5   1.800   6.077   2.738
   29   1HB   ASP   5          2HB       ASP   5   1.729   3.784   0.956
   30   2HB   ASP   5          1HB       ASP   5   2.911   4.974   0.408
   31    H    ASP   6           H        ASP   6  -0.501   7.253   1.057
   32    HA   ASP   6           HA       ASP   6  -0.695   9.219  -0.257
   33   1HB   ASP   6          2HB       ASP   6   1.471   9.603   1.169
   34   2HB   ASP   6          1HB       ASP   6   2.313   9.300  -0.350
   35    H    ASN   7           H        ASN   7   0.676   6.354  -1.308
   36    HA   ASN   7           HA       ASN   7   1.170   7.360  -4.077
   37   1HB   ASN   7          2HB       ASN   7   2.905   6.007  -2.948
   38   2HB   ASN   7          1HB       ASN   7   1.740   4.701  -2.727
   39   1HD2  ASN   7          1HD2      ASN   7   3.231   3.350  -4.103
   40   2HD2  ASN   7          2HD2      ASN   7   3.178   3.519  -5.791
   41    H    PHE   8           H        PHE   8  -1.015   5.434  -2.151
   42    HA   PHE   8           HA       PHE   8  -2.799   5.143  -4.499
   43   1HB   PHE   8          2HB       PHE   8  -1.225   3.182  -4.426
   44   2HB   PHE   8          1HB       PHE   8  -1.866   2.785  -2.831
   45    HD1  PHE   8           HD1      PHE   8  -3.933   1.631  -2.587
   46    HD2  PHE   8           HD2      PHE   8  -2.814   3.257  -6.403
   47    HE1  PHE   8           HE1      PHE   8  -5.839   0.452  -3.649
   48    HE2  PHE   8           HE2      PHE   8  -4.719   2.078  -7.464
   49    HZ   PHE   8           HZ       PHE   8  -6.232   0.676  -6.087
   50    H    SER   9           H        SER   9  -4.975   4.263  -3.757
   51    HA   SER   9           HA       SER   9  -5.472   4.873  -0.860
   52   1HB   SER   9          2HB       SER   9  -7.635   5.453  -2.770
   53   2HB   SER   9          1HB       SER   9  -6.999   6.447  -1.463
   54    HG   SER   9           HG       SER   9  -5.784   7.435  -2.860
   55    H    CYS  10           H        CYS  10  -7.039   3.554   0.132
   56    HA   CYS  10           HA       CYS  10  -7.811   1.109  -1.395
   57   1HB   CYS  10          2HB       CYS  10  -7.998   1.669   1.579
   58   2HB   CYS  10          1HB       CYS  10  -7.968   0.095   0.784
   59    HA   PRO  11           HA       PRO  11 -12.036   2.291  -1.341
   60   1HB   PRO  11          2HB       PRO  11 -13.299  -0.107  -1.018
   61   2HB   PRO  11          1HB       PRO  11 -12.482   0.359  -2.522
   62   1HG   PRO  11          2HG       PRO  11 -11.578  -1.468  -0.367
   63   2HG   PRO  11          1HG       PRO  11 -11.306  -1.556  -2.113
   64   1HD   PRO  11          2HD       PRO  11  -9.448  -0.676  -0.272
   65   2HD   PRO  11          1HD       PRO  11  -9.428  -0.277  -2.003
   66    H    ALA  12           H        ALA  12 -12.667  -0.437   0.765
   67    HA   ALA  12           HA       ALA  12 -13.403   1.477   2.952
   68   1HB   ALA  12          1HB       ALA  12 -14.659  -0.901   3.493
   69   2HB   ALA  12          2HB       ALA  12 -14.565  -0.955   1.732
   70   3HB   ALA  12          3HB       ALA  12 -15.374   0.394   2.531
   71    H    GLY  13           H        GLY  13 -12.953  -2.033   3.139
   72   1HA   GLY  13          2HA       GLY  13 -11.170  -1.655   5.452
   73   2HA   GLY  13          1HA       GLY  13 -11.813  -3.196   4.880
   74    H    SER  14           H        SER  14 -10.847  -4.075   2.857
   75    HA   SER  14           HA       SER  14  -8.866  -4.829   1.784
   76   1HB   SER  14          2HB       SER  14  -9.521  -2.100   1.262
   77   2HB   SER  14          1HB       SER  14  -7.764  -2.226   1.312
   78    HG   SER  14           HG       SER  14  -9.148  -2.784  -0.714
   79    H    THR  15           H        THR  15  -6.336  -3.484   1.664
   80    HA   THR  15           HA       THR  15  -5.398  -2.967   4.391
   81    HB   THR  15           HB       THR  15  -4.514  -5.479   2.941
   82    HG1  THR  15           HG1      THR  15  -5.835  -5.939   5.212
   83   1HG2  THR  15          1HG2      THR  15  -3.719  -5.980   5.346
   84   2HG2  THR  15          2HG2      THR  15  -3.945  -4.256   5.639
   85   3HG2  THR  15          3HG2      THR  15  -2.797  -4.800   4.416
   86    H    CYS  16           H        CYS  16  -3.633  -1.635   4.213
   87    HA   CYS  16           HA       CYS  16  -2.489  -1.109   1.564
   88   1HB   CYS  16          2HB       CYS  16  -2.436   0.022   4.318
   89   2HB   CYS  16          1HB       CYS  16  -1.048   0.382   3.290
   90    H    SER  17           H        SER  17  -0.725  -2.183   0.785
   91    HA   SER  17           HA       SER  17   0.867  -3.885   2.622
   92   1HB   SER  17          2HB       SER  17   0.961  -3.567  -0.390
   93   2HB   SER  17          1HB       SER  17   1.610  -4.907   0.551
   94    HG   SER  17           HG       SER  17  -0.576  -5.112  -0.474
   95    H    SER  18           H        SER  18   3.167  -3.797   0.790
   96    HA   SER  18           HA       SER  18   4.336  -1.272   0.386
   97   1HB   SER  18          2HB       SER  18   4.064  -0.676   2.648
   98   2HB   SER  18          1HB       SER  18   4.389  -2.313   3.212
   99    HG   SER  18           HG       SER  18   6.159  -0.313   2.339
  100    H    ALA  19           H        ALA  19   4.582  -3.673  -0.897
  101    HA   ALA  19           HA       ALA  19   6.750  -5.345  -0.110
  102   1HB   ALA  19          1HB       ALA  19   5.993  -6.456  -1.920
  103   2HB   ALA  19          2HB       ALA  19   6.402  -5.104  -2.976
  104   3HB   ALA  19          3HB       ALA  19   4.842  -5.140  -2.154
  105    H    PHE  20           H        PHE  20   8.475  -5.475  -2.257
  106    HA   PHE  20           HA       PHE  20   9.705  -2.808  -2.661
  107   1HB   PHE  20          2HB       PHE  20  10.762  -5.042  -0.942
  108   2HB   PHE  20          1HB       PHE  20  11.883  -3.934  -1.735
  109    HD1  PHE  20           HD1      PHE  20  11.399  -1.387  -1.451
  110    HD2  PHE  20           HD2      PHE  20   9.778  -4.442   1.096
  111    HE1  PHE  20           HE1      PHE  20  10.964   0.308   0.305
  112    HE2  PHE  20           HE2      PHE  20   9.339  -2.746   2.851
  113    HZ   PHE  20           HZ       PHE  20   9.933  -0.371   2.457
  114    H    GLY  21           H        GLY  21  11.396  -5.899  -2.753
  115   1HA   GLY  21          2HA       GLY  21  10.886  -6.724  -5.392
  116   2HA   GLY  21          1HA       GLY  21  12.188  -5.537  -5.495
  117    H    PHE  22           H        PHE  22  14.063  -5.955  -3.939
  118    HA   PHE  22           HA       PHE  22  14.428  -8.857  -3.355
  119   1HB   PHE  22          2HB       PHE  22  15.952  -9.084  -5.022
  120   2HB   PHE  22          1HB       PHE  22  15.396  -7.527  -5.620
  121    HD1  PHE  22           HD1      PHE  22  18.026  -9.291  -3.748
  122    HD2  PHE  22           HD2      PHE  22  16.663  -5.471  -5.165
  123    HE1  PHE  22           HE1      PHE  22  20.257  -8.318  -3.274
  124    HE2  PHE  22           HE2      PHE  22  18.894  -4.500  -4.691
  125    HZ   PHE  22           HZ       PHE  22  20.692  -5.924  -3.746
  126    H    ARG  23           H        ARG  23  15.624  -5.530  -2.996
  127    HA   ARG  23           HA       ARG  23  16.808  -6.319  -0.354
  128   1HB   ARG  23          2HB       ARG  23  18.511  -5.790  -2.017
  129   2HB   ARG  23          1HB       ARG  23  17.683  -4.291  -2.434
  130   1HG   ARG  23          2HG       ARG  23  19.130  -3.365  -0.936
  131   2HG   ARG  23          1HG       ARG  23  17.974  -3.965   0.255
  132   1HD   ARG  23          2HD       ARG  23  19.327  -5.758   0.865
  133   2HD   ARG  23          1HD       ARG  23  20.132  -5.820  -0.716
  134    HE   ARG  23           HE       ARG  23  20.561  -3.438   1.025
  135   1HH1  ARG  23          1HH2      ARG  23  21.750  -6.539   0.379
  136   2HH1  ARG  23          2HH2      ARG  23  23.393  -6.040   0.145
  137   1HH2  ARG  23          2HH1      ARG  23  22.661  -2.651   0.304
  138   2HH2  ARG  23          1HH1      ARG  23  23.908  -3.836   0.102
  139    H    ASN  24           H        ASN  24  16.464  -3.074  -1.702
  140    HA   ASN  24           HA       ASN  24  14.007  -2.379  -0.367
  141   1HB   ASN  24          2HB       ASN  24  16.361  -2.655   1.233
  142   2HB   ASN  24          1HB       ASN  24  15.945  -0.942   1.174
  143   1HD2  ASN  24          1HD2      ASN  24  14.947  -4.065   2.414
  144   2HD2  ASN  24          2HD2      ASN  24  13.577  -3.512   3.252
  145    H    LEU  25           H        LEU  25  14.762  -1.748  -2.889
  146    HA   LEU  25           HA       LEU  25  15.940   0.989  -2.881
  147   1HB   LEU  25          2HB       LEU  25  15.050  -0.777  -5.181
  148   2HB   LEU  25          1HB       LEU  25  16.131   0.612  -5.267
  149    HG   LEU  25           HG       LEU  25  16.738  -1.873  -3.648
  150   1HD1  LEU  25          1HD1      LEU  25  16.881  -2.760  -5.777
  151   2HD1  LEU  25          2HD1      LEU  25  18.480  -2.023  -5.671
  152   3HD1  LEU  25          3HD1      LEU  25  17.179  -1.190  -6.523
  153   1HD2  LEU  25          1HD2      LEU  25  18.997  -0.949  -3.590
  154   2HD2  LEU  25          2HD2      LEU  25  17.868   0.271  -3.001
  155   3HD2  LEU  25          3HD2      LEU  25  18.512   0.383  -4.639
  156    H    SER  26           H        SER  26  13.075  -0.718  -4.185
  157    HA   SER  26           HA       SER  26  11.514   1.820  -3.872
  158   1HB   SER  26          2HB       SER  26  11.106  -0.055  -6.186
  159   2HB   SER  26          1HB       SER  26  10.760   1.668  -6.084
  160    HG   SER  26           HG       SER  26  12.643   1.203  -7.324
  161    H    LEU  27           H        LEU  27   9.613   1.448  -2.784
  162    HA   LEU  27           HA       LEU  27   8.916  -0.999  -1.590
  163   1HB   LEU  27          2HB       LEU  27   7.054   1.224  -2.471
  164   2HB   LEU  27          1HB       LEU  27   6.821   0.125  -1.111
  165    HG   LEU  27           HG       LEU  27   9.391   1.328  -0.823
  166   1HD1  LEU  27          1HD1      LEU  27   8.881   3.676  -0.765
  167   2HD1  LEU  27          2HD1      LEU  27   7.172   3.373  -1.079
  168   3HD1  LEU  27          3HD1      LEU  27   8.366   3.083  -2.345
  169   1HD2  LEU  27          1HD2      LEU  27   8.658   1.341   1.315
  170   2HD2  LEU  27          2HD2      LEU  27   7.158   0.635   0.714
  171   3HD2  LEU  27          3HD2      LEU  27   7.293   2.382   0.907
  172    H    VAL  28           H        VAL  28   7.082   0.473  -4.301
  173    HA   VAL  28           HA       VAL  28   5.919  -0.552  -6.080
  174    HB   VAL  28           HB       VAL  28   8.288  -2.235  -5.443
  175   1HG1  VAL  28          1HG1      VAL  28   7.083  -4.156  -5.858
  176   2HG1  VAL  28          2HG1      VAL  28   7.403  -3.681  -7.525
  177   3HG1  VAL  28          3HG1      VAL  28   5.847  -3.306  -6.786
  178   1HG2  VAL  28          1HG2      VAL  28   8.963  -1.575  -7.579
  179   2HG2  VAL  28          2HG2      VAL  28   7.974  -0.204  -7.076
  180   3HG2  VAL  28          3HG2      VAL  28   7.306  -1.422  -8.163
  181    H    TRP  29           H        TRP  29   3.871  -0.824  -5.096
  182    HA   TRP  29           HA       TRP  29   2.914  -3.490  -4.674
  183   1HB   TRP  29          2HB       TRP  29   2.609  -3.342  -2.194
  184   2HB   TRP  29          1HB       TRP  29   4.305  -3.359  -2.674
  185    HD1  TRP  29           HD1      TRP  29   5.640  -1.060  -2.566
  186    HE1  TRP  29           HE1      TRP  29   5.256   1.083  -1.179
  187    HE3  TRP  29           HE3      TRP  29   0.812  -1.814  -1.079
  188    HZ2  TRP  29           HZ2      TRP  29   3.189   2.295   0.372
  189    HZ3  TRP  29           HZ3      TRP  29  -0.320  -0.172   0.363
  190    HH2  TRP  29           HH2      TRP  29   0.849   1.887   1.089
  191    H    GLY  30           H        GLY  30   0.859  -2.952  -2.797
  192   1HA   GLY  30          2HA       GLY  30  -0.480  -0.456  -3.266
  193   2HA   GLY  30          1HA       GLY  30  -1.109  -1.684  -4.364
  194    H    CYS  31           H        CYS  31  -2.989  -0.844  -2.741
  195    HA   CYS  31           HA       CYS  31  -3.083  -2.101  -0.126
  196   1HB   CYS  31          2HB       CYS  31  -4.380  -0.089  -1.372
  197   2HB   CYS  31          1HB       CYS  31  -5.553  -1.380  -1.632
  198    H    SER  32           H        SER  32  -3.842  -4.143   0.389
  199    HA   SER  32           HA       SER  32  -4.574  -5.947  -1.858
  200   1HB   SER  32          2HB       SER  32  -3.680  -7.585  -0.507
  201   2HB   SER  32          1HB       SER  32  -2.883  -6.202   0.239
  202    HG   SER  32           HG       SER  32  -4.185  -7.787   1.585
  203    HA   PRO  33           HA       PRO  33  -8.825  -5.441  -0.648
  204   1HB   PRO  33          2HB       PRO  33  -9.862  -7.300  -2.369
  205   2HB   PRO  33          1HB       PRO  33  -9.351  -5.680  -2.885
  206   1HG   PRO  33          2HG       PRO  33  -7.937  -8.284  -3.145
  207   2HG   PRO  33          1HG       PRO  33  -8.017  -6.924  -4.275
  208   1HD   PRO  33          2HD       PRO  33  -5.871  -7.428  -2.662
  209   2HD   PRO  33          1HD       PRO  33  -6.299  -5.809  -3.260
  210    H    VAL  34           H        VAL  34  -7.618  -6.737   1.327
  211    HA   VAL  34           HA       VAL  34  -7.594  -8.650   2.764
  212    HB   VAL  34           HB       VAL  34  -9.578  -7.205   3.213
  213   1HG1  VAL  34          1HG1      VAL  34 -10.984  -7.261   1.375
  214   2HG1  VAL  34          2HG1      VAL  34 -11.786  -8.452   2.401
  215   3HG1  VAL  34          3HG1      VAL  34 -10.723  -8.983   1.097
  216   1HG2  VAL  34          1HG2      VAL  34 -10.943  -9.595   3.862
  217   2HG2  VAL  34          2HG2      VAL  34  -9.853  -8.673   4.899
  218   3HG2  VAL  34          3HG2      VAL  34  -9.223  -9.989   3.904
  219    H    GLU  35           HN       GLU  35  -6.911  -9.737   0.338
  220    HA   GLU  35           HA       GLU  35  -8.349 -12.332   0.413
  221   1HB   GLU  35          2HB       GLU  35  -9.400 -10.649  -1.240
  222   2HB   GLU  35          1HB       GLU  35  -7.930 -10.853  -2.191
  223   1HG   GLU  35          2HG       GLU  35  -9.190 -12.536  -3.131
  224   2HG   GLU  35          1HG       GLU  35  -8.493 -13.440  -1.786
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1 -13.747   4.917  -0.566
    2   2H    ASP   1          2H        ASP   1 -13.667   5.780   0.895
    3   3H    ASP   1          3H        ASP   1 -13.003   4.220   0.789
    4    HA   ASP   1           HA       ASP   1 -11.447   5.139  -0.968
    5   1HB   ASP   1          2HB       ASP   1 -12.468   7.710   0.277
    6   2HB   ASP   1          1HB       ASP   1 -11.324   7.560  -1.057
    7    H    HIS   2           H        HIS   2  -9.432   4.908  -0.058
    8    HA   HIS   2           HA       HIS   2  -8.886   6.020   2.642
    9   1HB   HIS   2          2HB       HIS   2  -9.643   3.320   2.103
   10   2HB   HIS   2          1HB       HIS   2  -7.939   3.315   2.559
   11    HD1  HIS   2           HD1      HIS   2  -7.959   2.671   4.983
   12    HD2  HIS   2           HD2      HIS   2 -10.798   5.603   4.130
   13    HE1  HIS   2           HE1      HIS   2  -8.947   3.380   7.205
   14    H    VAL   3           H        VAL   3  -6.448   5.301   3.189
   15    HA   VAL   3           HA       VAL   3  -4.792   5.189   0.714
   16    HB   VAL   3           HB       VAL   3  -3.657   7.222   1.266
   17   1HG1  VAL   3          1HG1      VAL   3  -6.515   7.835   2.025
   18   2HG1  VAL   3          2HG1      VAL   3  -6.079   7.357   0.384
   19   3HG1  VAL   3          3HG1      VAL   3  -5.394   8.823   1.087
   20   1HG2  VAL   3          1HG2      VAL   3  -4.710   8.358   3.498
   21   2HG2  VAL   3          2HG2      VAL   3  -3.251   7.368   3.517
   22   3HG2  VAL   3          3HG2      VAL   3  -4.807   6.656   3.945
   23    H    CYS   4           H        CYS   4  -2.844   4.097   1.049
   24    HA   CYS   4           HA       CYS   4  -2.420   3.004   3.799
   25   1HB   CYS   4          2HB       CYS   4  -2.744   1.539   1.752
   26   2HB   CYS   4          1HB       CYS   4  -1.200   2.150   1.159
   27    H    ASP   5           H        ASP   5  -0.547   4.464   1.093
   28    HA   ASP   5           HA       ASP   5   1.337   5.578   3.121
   29   1HB   ASP   5          2HB       ASP   5   1.987   3.760   0.794
   30   2HB   ASP   5          1HB       ASP   5   3.208   4.765   1.572
   31    H    ASP   6           H        ASP   6  -0.628   6.996   1.593
   32    HA   ASP   6           HA       ASP   6  -0.714   9.008   0.338
   33   1HB   ASP   6          2HB       ASP   6   1.905   8.714   1.396
   34   2HB   ASP   6          1HB       ASP   6   2.091   9.255  -0.272
   35    H    ASN   7           H        ASN   7   2.001   7.085  -1.001
   36    HA   ASN   7           HA       ASN   7   1.533   7.735  -3.729
   37   1HB   ASN   7          2HB       ASN   7   3.515   6.619  -2.457
   38   2HB   ASN   7          1HB       ASN   7   2.653   5.109  -2.757
   39   1HD2  ASN   7          1HD2      ASN   7   3.678   4.129  -4.515
   40   2HD2  ASN   7          2HD2      ASN   7   4.093   4.921  -5.959
   41    H    PHE   8           H        PHE   8  -0.332   5.764  -1.643
   42    HA   PHE   8           HA       PHE   8  -1.682   4.510  -4.016
   43   1HB   PHE   8          2HB       PHE   8  -0.198   3.145  -2.275
   44   2HB   PHE   8          1HB       PHE   8  -1.673   3.226  -1.310
   45    HD1  PHE   8           HD1      PHE   8  -3.071   1.380  -1.520
   46    HD2  PHE   8           HD2      PHE   8  -0.806   2.686  -4.928
   47    HE1  PHE   8           HE1      PHE   8  -4.057  -0.448  -2.875
   48    HE2  PHE   8           HE2      PHE   8  -1.792   0.857  -6.284
   49    HZ   PHE   8           HZ       PHE   8  -3.416  -0.710  -5.258
   50    H    SER   9           H        SER   9  -3.937   3.551  -2.948
   51    HA   SER   9           HA       SER   9  -5.136   5.471  -1.057
   52   1HB   SER   9          2HB       SER   9  -6.920   5.963  -2.859
   53   2HB   SER   9          1HB       SER   9  -5.355   6.752  -3.029
   54    HG   SER   9           HG       SER   9  -5.461   5.853  -4.944
   55    H    CYS  10           H        CYS  10  -7.020   3.813  -3.499
   56    HA   CYS  10           HA       CYS  10  -8.472   1.953  -3.347
   57   1HB   CYS  10          2HB       CYS  10  -6.069   1.393  -1.824
   58   2HB   CYS  10          1HB       CYS  10  -7.462   0.598  -1.090
   59    HA   PRO  11           HA       PRO  11 -11.392   3.127  -0.283
   60   1HB   PRO  11          2HB       PRO  11 -12.932   0.869  -0.138
   61   2HB   PRO  11          1HB       PRO  11 -12.973   1.980  -1.522
   62   1HG   PRO  11          2HG       PRO  11 -11.601  -0.641  -1.241
   63   2HG   PRO  11          1HG       PRO  11 -12.414   0.064  -2.645
   64   1HD   PRO  11          2HD       PRO  11  -9.696   0.011  -2.320
   65   2HD   PRO  11          1HD       PRO  11 -10.556   1.213  -3.306
   66    H    ALA  12           H        ALA  12 -12.484   2.073   1.821
   67    HA   ALA  12           HA       ALA  12 -10.293   1.353   3.614
   68   1HB   ALA  12          1HB       ALA  12 -12.776   1.038   4.896
   69   2HB   ALA  12          2HB       ALA  12 -13.038   2.307   3.700
   70   3HB   ALA  12          3HB       ALA  12 -11.765   2.483   4.908
   71    H    GLY  13           H        GLY  13 -12.897  -0.353   1.961
   72   1HA   GLY  13          2HA       GLY  13 -13.081  -2.710   3.467
   73   2HA   GLY  13          1HA       GLY  13 -13.249  -2.665   1.710
   74    H    SER  14           H        SER  14 -10.864  -2.157   0.704
   75    HA   SER  14           HA       SER  14  -9.250  -4.513   1.457
   76   1HB   SER  14          2HB       SER  14  -9.409  -2.500  -0.762
   77   2HB   SER  14          1HB       SER  14  -7.922  -3.426  -0.573
   78    HG   SER  14           HG       SER  14  -9.129  -4.727  -1.799
   79    H    THR  15           H        THR  15  -6.723  -3.981   1.285
   80    HA   THR  15           HA       THR  15  -6.146  -1.564   2.965
   81    HB   THR  15           HB       THR  15  -4.920  -4.340   3.116
   82    HG1  THR  15           HG1      THR  15  -6.915  -3.026   4.625
   83   1HG2  THR  15          1HG2      THR  15  -3.340  -2.724   3.894
   84   2HG2  THR  15          2HG2      THR  15  -4.091  -3.407   5.335
   85   3HG2  THR  15          3HG2      THR  15  -4.589  -1.818   4.751
   86    H    CYS  16           H        CYS  16  -3.474  -3.579   2.238
   87    HA   CYS  16           HA       CYS  16  -2.869  -2.550  -0.402
   88   1HB   CYS  16          2HB       CYS  16  -0.796  -1.278   0.675
   89   2HB   CYS  16          1HB       CYS  16  -2.350  -0.476   0.479
   90    H    SER  17           H        SER  17  -1.559  -4.049  -1.304
   91    HA   SER  17           HA       SER  17  -0.568  -6.364  -0.193
   92   1HB   SER  17          2HB       SER  17  -0.283  -4.874  -2.563
   93   2HB   SER  17          1HB       SER  17   1.364  -5.203  -2.032
   94    HG   SER  17           HG       SER  17  -0.743  -7.047  -2.495
   95    H    SER  18           H        SER  18   1.673  -3.642  -0.803
   96    HA   SER  18           HA       SER  18   2.641  -3.367   1.837
   97   1HB   SER  18          2HB       SER  18   3.325  -5.620   1.835
   98   2HB   SER  18          1HB       SER  18   3.842  -5.553   0.152
   99    HG   SER  18           HG       SER  18   5.657  -5.472   1.443
  100    H    ALA  19           H        ALA  19   5.398  -3.854  -0.075
  101    HA   ALA  19           HA       ALA  19   5.337  -1.332  -1.552
  102   1HB   ALA  19          1HB       ALA  19   7.221  -1.461   0.794
  103   2HB   ALA  19          2HB       ALA  19   5.568  -0.889   1.012
  104   3HB   ALA  19          3HB       ALA  19   6.655  -0.043  -0.088
  105    H    PHE  20           H        PHE  20   7.636  -3.500   0.129
  106    HA   PHE  20           HA       PHE  20   8.887  -4.123  -2.492
  107   1HB   PHE  20          2HB       PHE  20  11.104  -3.736  -0.932
  108   2HB   PHE  20          1HB       PHE  20  10.450  -2.523  -2.026
  109    HD1  PHE  20           HD1      PHE  20   9.794  -3.810   1.451
  110    HD2  PHE  20           HD2      PHE  20  10.108  -0.414  -1.157
  111    HE1  PHE  20           HE1      PHE  20   9.352  -2.297   3.368
  112    HE2  PHE  20           HE2      PHE  20   9.669   1.099   0.757
  113    HZ   PHE  20           HZ       PHE  20   9.290   0.158   3.020
  114    H    GLY  21           H        GLY  21  11.097  -5.532  -1.452
  115   1HA   GLY  21          2HA       GLY  21   9.753  -7.924  -0.433
  116   2HA   GLY  21          1HA       GLY  21  11.469  -7.789  -0.825
  117    H    PHE  22           H        PHE  22  12.918  -7.196   0.804
  118    HA   PHE  22           HA       PHE  22  11.750  -6.660   3.510
  119   1HB   PHE  22          2HB       PHE  22  13.171  -8.342   4.444
  120   2HB   PHE  22          1HB       PHE  22  12.457  -9.076   3.009
  121    HD1  PHE  22           HD1      PHE  22  13.821  -8.817   0.778
  122    HD2  PHE  22           HD2      PHE  22  15.495  -8.341   4.705
  123    HE1  PHE  22           HE1      PHE  22  16.087  -9.226  -0.139
  124    HE2  PHE  22           HE2      PHE  22  17.763  -8.750   3.788
  125    HZ   PHE  22           HZ       PHE  22  18.059  -9.191   1.365
  126    H    ARG  23           H        ARG  23  13.433  -5.289   1.162
  127    HA   ARG  23           HA       ARG  23  15.411  -4.005   3.020
  128   1HB   ARG  23          2HB       ARG  23  16.806  -3.758   0.942
  129   2HB   ARG  23          1HB       ARG  23  16.501  -5.441   1.374
  130   1HG   ARG  23          2HG       ARG  23  14.347  -4.501  -0.279
  131   2HG   ARG  23          1HG       ARG  23  15.878  -4.138  -1.075
  132   1HD   ARG  23          2HD       ARG  23  15.564  -6.851   0.156
  133   2HD   ARG  23          1HD       ARG  23  14.735  -6.526  -1.378
  134    HE   ARG  23           HE       ARG  23  17.397  -5.503  -1.542
  135   1HH1  ARG  23          2HH1      ARG  23  15.402  -8.252  -1.949
  136   2HH1  ARG  23          1HH1      ARG  23  16.664  -9.256  -2.584
  137   1HH2  ARG  23          1HH2      ARG  23  19.148  -6.878  -2.119
  138   2HH2  ARG  23          2HH2      ARG  23  18.787  -8.479  -2.675
  139    H    ASN  24           H        ASN  24  15.656  -2.471   0.122
  140    HA   ASN  24           HA       ASN  24  13.292  -0.705   0.473
  141   1HB   ASN  24          2HB       ASN  24  16.202  -0.025   0.877
  142   2HB   ASN  24          1HB       ASN  24  15.058   1.222   0.377
  143   1HD2  ASN  24          1HD2      ASN  24  16.226  -0.573   3.094
  144   2HD2  ASN  24          2HD2      ASN  24  15.091  -0.011   4.225
  145    H    LEU  25           H        LEU  25  14.272  -2.592  -1.635
  146    HA   LEU  25           HA       LEU  25  15.536  -1.558  -3.855
  147   1HB   LEU  25          2HB       LEU  25  13.692  -3.606  -3.234
  148   2HB   LEU  25          1HB       LEU  25  13.008  -2.759  -4.621
  149    HG   LEU  25           HG       LEU  25  14.474  -4.536  -5.417
  150   1HD1  LEU  25          1HD1      LEU  25  14.702  -1.813  -6.086
  151   2HD1  LEU  25          2HD1      LEU  25  15.200  -3.187  -7.072
  152   3HD1  LEU  25          3HD1      LEU  25  16.359  -2.407  -5.996
  153   1HD2  LEU  25          1HD2      LEU  25  16.599  -3.153  -3.749
  154   2HD2  LEU  25          2HD2      LEU  25  16.886  -4.505  -4.844
  155   3HD2  LEU  25          3HD2      LEU  25  15.887  -4.729  -3.408
  156    H    SER  26           H        SER  26  12.098  -1.004  -3.032
  157    HA   SER  26           HA       SER  26  11.970   1.720  -3.744
  158   1HB   SER  26          2HB       SER  26  12.290  -0.096  -5.967
  159   2HB   SER  26          1HB       SER  26  10.728   0.709  -6.087
  160    HG   SER  26           HG       SER  26  11.706   2.559  -6.403
  161    H    LEU  27           H        LEU  27   9.633   2.406  -4.162
  162    HA   LEU  27           HA       LEU  27   7.847   0.849  -2.453
  163   1HB   LEU  27          2HB       LEU  27   7.539   3.352  -4.147
  164   2HB   LEU  27          1HB       LEU  27   6.295   2.754  -3.048
  165    HG   LEU  27           HG       LEU  27   9.082   3.695  -2.334
  166   1HD1  LEU  27          1HD1      LEU  27   7.258   4.913  -0.676
  167   2HD1  LEU  27          2HD1      LEU  27   6.350   4.783  -2.183
  168   3HD1  LEU  27          3HD1      LEU  27   7.900   5.625  -2.157
  169   1HD2  LEU  27          1HD2      LEU  27   7.238   1.839  -0.962
  170   2HD2  LEU  27          2HD2      LEU  27   7.823   3.167   0.043
  171   3HD2  LEU  27          3HD2      LEU  27   8.971   2.075  -0.734
  172    H    VAL  28           H        VAL  28   7.852  -1.128  -3.867
  173    HA   VAL  28           HA       VAL  28   6.059  -0.843  -6.252
  174    HB   VAL  28           HB       VAL  28   8.338  -2.636  -5.450
  175   1HG1  VAL  28          1HG1      VAL  28   7.513  -3.891  -7.680
  176   2HG1  VAL  28          2HG1      VAL  28   5.940  -3.399  -7.055
  177   3HG1  VAL  28          3HG1      VAL  28   7.001  -4.408  -6.072
  178   1HG2  VAL  28          1HG2      VAL  28   9.253  -1.220  -6.966
  179   2HG2  VAL  28          2HG2      VAL  28   7.673  -0.671  -7.526
  180   3HG2  VAL  28          3HG2      VAL  28   8.377  -2.150  -8.181
  181    H    TRP  29           H        TRP  29   4.025  -1.049  -5.218
  182    HA   TRP  29           HA       TRP  29   3.361  -3.742  -4.213
  183   1HB   TRP  29          2HB       TRP  29   2.486  -2.717  -2.079
  184   2HB   TRP  29          1HB       TRP  29   4.234  -2.677  -2.238
  185    HD1  TRP  29           HD1      TRP  29   4.972  -0.196  -3.693
  186    HE1  TRP  29           HE1      TRP  29   4.285   2.169  -2.945
  187    HE3  TRP  29           HE3      TRP  29   0.960  -1.331  -0.739
  188    HZ2  TRP  29           HZ2      TRP  29   2.306   3.420  -1.302
  189    HZ3  TRP  29           HZ3      TRP  29  -0.295   0.471   0.410
  190    HH2  TRP  29           HH2      TRP  29   0.368   2.837   0.131
  191    H    GLY  30           H        GLY  30   0.879  -2.877  -2.969
  192   1HA   GLY  30          2HA       GLY  30  -0.614  -1.128  -4.679
  193   2HA   GLY  30          1HA       GLY  30  -0.817  -2.785  -5.245
  194    H    CYS  31           H        CYS  31  -3.057  -2.741  -4.674
  195    HA   CYS  31           HA       CYS  31  -3.871  -2.248  -1.897
  196   1HB   CYS  31          2HB       CYS  31  -5.044  -1.952  -4.298
  197   2HB   CYS  31          1HB       CYS  31  -5.645  -3.560  -3.893
  198    H    SER  32           H        SER  32  -5.446  -4.004  -0.979
  199    HA   SER  32           HA       SER  32  -4.896  -6.800  -1.569
  200   1HB   SER  32          2HB       SER  32  -3.570  -7.246   0.442
  201   2HB   SER  32          1HB       SER  32  -2.772  -5.996  -0.509
  202    HG   SER  32           HG       SER  32  -3.409  -5.822   1.974
  203    HA   PRO  33           HA       PRO  33  -8.721  -6.881   0.637
  204   1HB   PRO  33          2HB       PRO  33  -8.914  -9.583   1.040
  205   2HB   PRO  33          1HB       PRO  33  -9.204  -8.819  -0.537
  206   1HG   PRO  33          2HG       PRO  33  -6.778 -10.229   0.466
  207   2HG   PRO  33          1HG       PRO  33  -7.533 -10.283  -1.136
  208   1HD   PRO  33          2HD       PRO  33  -5.317  -8.806  -0.589
  209   2HD   PRO  33          1HD       PRO  33  -6.505  -8.349  -1.830
  210    H    VAL  34           H        VAL  34  -9.020  -6.418   2.781
  211    HA   VAL  34           HA       VAL  34  -7.019  -6.967   4.791
  212    HB   VAL  34           HB       VAL  34  -8.621  -5.041   4.710
  213   1HG1  VAL  34          1HG1      VAL  34 -10.607  -7.240   5.339
  214   2HG1  VAL  34          2HG1      VAL  34 -10.620  -6.152   3.951
  215   3HG1  VAL  34          3HG1      VAL  34 -10.950  -5.524   5.565
  216   1HG2  VAL  34          1HG2      VAL  34  -9.227  -5.126   7.141
  217   2HG2  VAL  34          2HG2      VAL  34  -7.550  -5.576   6.834
  218   3HG2  VAL  34          3HG2      VAL  34  -8.752  -6.823   7.163
  219    H    GLU  35           HN       GLU  35  -9.493  -8.865   3.424
  220    HA   GLU  35           HA       GLU  35 -10.633 -10.818   4.158
  221   1HB   GLU  35          2HB       GLU  35  -9.004 -12.511   4.491
  222   2HB   GLU  35          1HB       GLU  35  -8.160 -11.271   3.566
  223   1HG   GLU  35          2HG       GLU  35  -7.070 -10.425   5.538
  224   2HG   GLU  35          1HG       GLU  35  -8.074 -11.424   6.591