*HEADER    HARMONE                                 14-SEP-99   1D0R              
*TITLE     SOLUTION STRUCTURE OF GLUCAGON-LIKE PEPTIDE-1-(7-36)-AMIDE            
*TITLE    2 IN TRIFLUOROETHANOL/WATER                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUCAGON-LIKE PEPTIDE-1-(7-36)-AMIDE;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: RECOMBINANT FORM                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: YEAST                                             
*KEYWDS    SYNTHETIC HORMONE                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    X.CHANG, D.KELLER, S.BJORN, J.J.LED                                   
*REVDAT   1   16-OCT-02 1D0R    0                                                



 assign (resid   1 and name HE1 ) (resid   1 and name HD2 )  0.00 -2.00  5.00
 assign (resid   1 and name HA  ) (resid   2 and name HN  )  0.00 -2.00  3.56
 assign (resid   1 and name HB* ) (resid   2 and name HN  )  0.00 -2.00  6.00
 assign (resid   1 and name HA  ) (resid   4 and name HN  )  0.00 -2.00  5.00
 assign (resid   2 and name HB* ) (resid   2 and name HA  )  0.00 -2.00  6.10
 assign (resid   2 and name HN  ) (resid   2 and name HA  )  0.00 -2.00  5.00
 assign (resid   2 and name HN  ) (resid   2 and name HB* )  0.00 -2.00  6.10
 assign (resid   2 and name HA  ) (resid   3 and name HN  )  0.00 -2.00  5.00
 assign (resid   2 and name HB* ) (resid   3 and name HN  )  0.00 -2.00  6.00
 assign (resid   3 and name HB* ) (resid   3 and name HA  )  0.00 -2.00  5.00
 assign (resid   3 and name HN  ) (resid   3 and name HA  )  0.00 -2.00  5.00
 assign (resid   3 and name HN  ) (resid   3 and name HB* )  0.00 -2.00  5.60
 assign (resid   3 and name HA  ) (resid   4 and name HN  )  0.00 -2.00  3.56
 assign (resid   4 and name HN  ) (resid   4 and name HA* )  0.00 -2.00  3.56
 assign (resid   4 and name HA* ) (resid   5 and name HN  )  0.00 -2.00  6.00
 assign (resid   5 and name HG2*) (resid   5 and name HA  )  0.00 -2.00  5.60
 assign (resid   5 and name HG2*) (resid   5 and name HB  )  0.00 -2.00  5.00
 assign (resid   5 and name HN  ) (resid   5 and name HA  )  0.00 -2.00  3.56
 assign (resid   5 and name HN  ) (resid   5 and name HG2*)  0.00 -2.00  6.00
 assign (resid   5 and name HA  ) (resid   6 and name HN  )  0.00 -2.00  5.00
 assign (resid   5 and name HB  ) (resid   6 and name HN  )  0.00 -2.00  5.00
 assign (resid   5 and name HG2*) (resid   6 and name HN  )  0.00 -2.00  6.00
 assign (resid   5 and name HN  ) (resid   6 and name HN  )  0.00 -2.00  5.00
 assign (resid   6 and name HB* ) (resid   6 and name HA  )  0.00 -2.00  5.00
 assign (resid   6 and name HD* ) (resid   6 and name HA  )  0.00 -2.00  6.00
 assign (resid   6 and name HD* ) (resid   6 and name HB* )  0.00 -2.00  5.00
 assign (resid   6 and name HN  ) (resid   6 and name HA  )  0.00 -2.00  5.00
 assign (resid   6 and name HN  ) (resid   6 and name HB* )  0.00 -2.00  5.60
 assign (resid   6 and name HN  ) (resid   6 and name HD* )  0.00 -2.00  7.00
 assign (resid   6 and name HA  ) (resid   7 and name HN  )  0.00 -2.00  5.00
 assign (resid   6 and name HB* ) (resid   7 and name HN  )  0.00 -2.00  6.00
 assign (resid   6 and name HD* ) (resid   7 and name HG2*)  0.00 -2.00  8.00 
 assign (resid   6 and name HD* ) (resid   7 and name HN  )  0.00 -2.00  7.00
 assign (resid   6 and name HN  ) (resid   7 and name HN  )  0.00 -2.00  5.00
 assign (resid   6 and name HA  ) (resid   9 and name HB* )  0.00 -2.00  5.88
 assign (resid   6 and name HA  ) (resid   9 and name HN  )  0.00 -2.00  5.00
 assign (resid   6 and name HD* ) (resid  10 and name HG* )  0.00 -2.00  9.90 
 assign (resid   7 and name HG2*) (resid   7 and name HA  )  0.00 -2.00  5.60
 assign (resid   7 and name HG2*) (resid   7 and name HB  )  0.00 -2.00  5.00
 assign (resid   7 and name HN  ) (resid   7 and name HA  )  0.00 -2.00  3.56
 assign (resid   7 and name HN  ) (resid   7 and name HB  )  0.00 -2.00  5.00
 assign (resid   7 and name HN  ) (resid   7 and name HG2*)  0.00 -2.00  6.00
 assign (resid   7 and name HA  ) (resid   8 and name HN  )  0.00 -2.00  5.00
 assign (resid   7 and name HG2*) (resid   8 and name HN  )  0.00 -2.00  6.00
 assign (resid   7 and name HN  ) (resid   8 and name HN  )  0.00 -2.00  5.00
 assign (resid   7 and name HA  ) (resid  10 and name HB  )  0.00 -2.00  5.00
 assign (resid   7 and name HA  ) (resid  10 and name HG* )  0.00 -2.00  7.90
 assign (resid   7 and name HA  ) (resid  10 and name HN  )  0.00 -2.00  5.00
 assign (resid   8 and name HB* ) (resid   8 and name HA  )  0.00 -2.00  5.00
 assign (resid   8 and name HN  ) (resid   8 and name HA  )  0.00 -2.00  3.56
 assign (resid   8 and name HN  ) (resid   8 and name HB* )  0.00 -2.00  5.60
 assign (resid   8 and name HA  ) (resid   9 and name HN  )  0.00 -2.00  3.56
 assign (resid   8 and name HB* ) (resid   9 and name HN  )  0.00 -2.00  4.56
 assign (resid   8 and name HN  ) (resid   9 and name HN  )  0.00 -2.00  5.00
 assign (resid   8 and name HA  ) (resid  11 and name HN  )  0.00 -2.00  5.00
 assign (resid   9 and name HB* ) (resid   9 and name HA  )  0.00 -2.00  5.00
 assign (resid   9 and name HN  ) (resid   9 and name HA  )  0.00 -2.00  3.56
 assign (resid   9 and name HN  ) (resid   9 and name HB* )  0.00 -2.00  5.60
 assign (resid   9 and name HA  ) (resid  10 and name HN  )  0.00 -2.00  3.56
 assign (resid   9 and name HB* ) (resid  10 and name HN  )  0.00 -2.00  6.00
 assign (resid   9 and name HN  ) (resid  10 and name HB  )  0.00 -2.00  5.00
 assign (resid   9 and name HN  ) (resid  10 and name HN  )  0.00 -2.00  5.00
 assign (resid   9 and name HA  ) (resid  12 and name HN  )  0.00 -2.00  5.00
 assign (resid  10 and name HB  ) (resid  10 and name HA  )  0.00 -2.00  5.00
 assign (resid  10 and name HG* ) (resid  10 and name HA  )  0.00 -2.00  6.10
 assign (resid  10 and name HG* ) (resid  10 and name HB  )  0.00 -2.00  4.06
 assign (resid  10 and name HN  ) (resid  10 and name HA  )  0.00 -2.00  5.00
 assign (resid  10 and name HN  ) (resid  10 and name HB  )  0.00 -2.00  5.00
 assign (resid  10 and name HN  ) (resid  10 and name HG* )  0.00 -2.00  7.20
 assign (resid  10 and name HA  ) (resid  11 and name HN  )  0.00 -2.00  5.00
 assign (resid  10 and name HB  ) (resid  11 and name HN  )  0.00 -2.00  5.00
 assign (resid  10 and name HA  ) (resid  13 and name HB* )  0.00 -2.00  6.00
 assign (resid  10 and name HA  ) (resid  13 and name HD* )  0.00 -2.00  7.13
 assign (resid  10 and name HA  ) (resid  13 and name HN  )  0.00 -2.00  5.00
 assign (resid  10 and name HG* ) (resid  13 and name HE* )  0.00 -2.00  9.44
 assign (resid  10 and name HA  ) (resid  14 and name HN  )  0.00 -2.00  5.00
 assign (resid  11 and name HB* ) (resid  11 and name HA  )  0.00 -2.00  5.00
 assign (resid  11 and name HN  ) (resid  11 and name HA  )  0.00 -2.00  5.00
 assign (resid  11 and name HN  ) (resid  11 and name HB* )  0.00 -2.00  5.60
 assign (resid  11 and name HA  ) (resid  12 and name HN  )  0.00 -2.00  5.00
 assign (resid  11 and name HN  ) (resid  12 and name HN  )  0.00 -2.00  5.00 
 assign (resid  11 and name HA  ) (resid  14 and name HB* )  0.00 -2.00  6.00 
 assign (resid  11 and name HA  ) (resid  14 and name HN  )  0.00 -2.00  5.00
 assign (resid  11 and name HA  ) (resid  15 and name HN  )  0.00 -2.00  5.00
 assign (resid  12 and name HB* ) (resid  12 and name HA  )  0.00 -2.00  5.00
 assign (resid  12 and name HN  ) (resid  12 and name HA  )  0.00 -2.00  5.00
 assign (resid  12 and name HA  ) (resid  13 and name HN  )  0.00 -2.00  5.00
 assign (resid  12 and name HA  ) (resid  15 and name HB* )  0.00 -2.00  6.00
 assign (resid  12 and name HA  ) (resid  15 and name HN  )  0.00 -2.00  5.00
 assign (resid  13 and name HB* ) (resid  13 and name HA  )  0.00 -2.00  5.00
 assign (resid  13 and name HD* ) (resid  13 and name HA  )  0.00 -2.00  6.00
 assign (resid  13 and name HD* ) (resid  13 and name HB* )  0.00 -2.00  5.00
 assign (resid  13 and name HE* ) (resid  13 and name HB* )  0.00 -2.00  5.00
 assign (resid  13 and name HD* ) (resid  13 and name HE* )  0.00 -2.00  5.00
 assign (resid  13 and name HN  ) (resid  13 and name HB* )  0.00 -2.00  4.16
 assign (resid  13 and name HN  ) (resid  13 and name HD* )  0.00 -2.00  5.00
 assign (resid  13 and name HA  ) (resid  14 and name HN  )  0.00 -2.00  5.00
 assign (resid  13 and name HB* ) (resid  14 and name HN  )  0.00 -2.00  6.00
 assign (resid  13 and name HD* ) (resid  14 and name HA  )  0.00 -2.00  7.00
 assign (resid  13 and name HD* ) (resid  14 and name HB* )  0.00 -2.00  7.65
 assign (resid  13 and name HD* ) (resid  14 and name HG  )  0.00 -2.00  7.00
 assign (resid  13 and name HD* ) (resid  14 and name HN  )  0.00 -2.00  7.00
 assign (resid  13 and name HN  ) (resid  14 and name HN  )  0.00 -2.00  5.00
 assign (resid  13 and name HA  ) (resid  16 and name HN  )  0.00 -2.00  5.00  
 assign (resid  13 and name HD* ) (resid  17 and name HB* )  0.00 -2.00  8.00 
 assign (resid  13 and name HE* ) (resid  17 and name HB* )  0.00 -2.00  8.01 
 assign (resid  14 and name HB* ) (resid  14 and name HA  )  0.00 -2.00  5.00
 assign (resid  14 and name HD* ) (resid  14 and name HA  )  0.00 -2.00  7.20
 assign (resid  14 and name HG  ) (resid  14 and name HA  )  0.00 -2.00  3.56
 assign (resid  14 and name HG  ) (resid  14 and name HB* )  0.00 -2.00  5.00
 assign (resid  14 and name HN  ) (resid  14 and name HA  )  0.00 -2.00  3.56
 assign (resid  14 and name HN  ) (resid  14 and name HB* )  0.00 -2.00  4.16
 assign (resid  14 and name HN  ) (resid  14 and name HG  )  0.00 -2.00  5.00
 assign (resid  14 and name HA  ) (resid  15 and name HN  )  0.00 -2.00  5.00
 assign (resid  14 and name HB* ) (resid  15 and name HN  )  0.00 -2.00  5.88
 assign (resid  14 and name HN  ) (resid  15 and name HN  )  0.00 -2.00  5.00
 assign (resid  14 and name HA  ) (resid  17 and name HN  )  0.00 -2.00  5.00
 assign (resid  15 and name HB* ) (resid  15 and name HA  )  0.00 -2.00  5.00
 assign (resid  15 and name HB* ) (resid  15 and name HG* )  0.00 -2.00  5.00
 assign (resid  15 and name HG* ) (resid  15 and name HA  )  0.00 -2.00  5.60
 assign (resid  15 and name HN  ) (resid  15 and name HA  )  0.00 -2.00  3.56
 assign (resid  15 and name HN  ) (resid  15 and name HB* )  0.00 -2.00  5.60
 assign (resid  15 and name HN  ) (resid  15 and name HG* )  0.00 -2.00  6.00
 assign (resid  15 and name HA  ) (resid  16 and name HN  )  0.00 -2.00  5.00
 assign (resid  15 and name HN  ) (resid  16 and name HN  )  0.00 -2.00  5.00
 assign (resid  16 and name HN  ) (resid  16 and name HA* )  0.00 -2.00  5.00
 assign (resid  16 and name HA* ) (resid  17 and name HN  )  0.00 -2.00  6.00
 assign (resid  16 and name HA* ) (resid  18 and name HN  )  0.00 -2.00  6.00
 assign (resid  17 and name HB* ) (resid  17 and name HA  )  0.00 -2.00  5.00
 assign (resid  17 and name HG* ) (resid  17 and name HA  )  0.00 -2.00  5.60
 assign (resid  17 and name HN  ) (resid  17 and name HA  )  0.00 -2.00  5.00
 assign (resid  17 and name HN  ) (resid  17 and name HB* )  0.00 -2.00  5.60
 assign (resid  17 and name HN  ) (resid  17 and name HG* )  0.00 -2.00  6.00
 assign (resid  17 and name HA  ) (resid  18 and name HN  )  0.00 -2.00  5.00
 assign (resid  17 and name HB* ) (resid  18 and name HN  )  0.00 -2.00  6.00
 assign (resid  17 and name HN  ) (resid  18 and name HN  )  0.00 -2.00  5.00
 assign (resid  17 and name HA  ) (resid  19 and name HN  )  0.00 -2.00  5.00
 assign (resid  18 and name HB* ) (resid  18 and name HA  )  0.00 -2.00  6.10
 assign (resid  18 and name HN  ) (resid  18 and name HA  )  0.00 -2.00  2.85
 assign (resid  18 and name HN  ) (resid  18 and name HB* )  0.00 -2.00  6.10
 assign (resid  18 and name HB* ) (resid  19 and name HN  )  0.00 -2.00  6.50
 assign (resid  18 and name HN  ) (resid  19 and name HN  )  0.00 -2.00  5.00
 assign (resid  18 and name HA  ) (resid  21 and name HN  )  0.00 -2.00  5.00
 assign (resid  18 and name HA  ) (resid  22 and name HN  )  0.00 -2.00  5.00
 assign (resid  19 and name HB* ) (resid  19 and name HA  )  0.00 -2.00  4.66
 assign (resid  19 and name HN  ) (resid  19 and name HA  )  0.00 -2.00  5.00
 assign (resid  19 and name HN  ) (resid  19 and name HB* )  0.00 -2.00  6.10
 assign (resid  19 and name HA  ) (resid  20 and name HN  )  0.00 -2.00  5.00
 assign (resid  19 and name HN  ) (resid  20 and name HN  )  0.00 -2.00  5.00
 assign (resid  19 and name HA  ) (resid  22 and name HB* )  0.00 -2.00  6.00
 assign (resid  19 and name HA  ) (resid  22 and name HN  )  0.00 -2.00  5.00
 assign (resid  19 and name HA  ) (resid  23 and name HN  )  0.00 -2.00  5.00
 assign (resid  20 and name HD* ) (resid  20 and name HA  )  0.00 -2.00  6.00
 assign (resid  20 and name HD* ) (resid  20 and name HB* )  0.00 -2.00  5.76
 assign (resid  20 and name HD* ) (resid  20 and name HE* )  0.00 -2.00  5.00
 assign (resid  20 and name HG* ) (resid  20 and name HA  )  0.00 -2.00  5.60
 assign (resid  20 and name HG* ) (resid  20 and name HB* )  0.00 -2.00  2.85
 assign (resid  20 and name HN  ) (resid  20 and name HA  )  0.00 -2.00  3.56
 assign (resid  20 and name HN  ) (resid  20 and name HB* )  0.00 -2.00  5.60
 assign (resid  20 and name HN  ) (resid  20 and name HD* )  0.00 -2.00  5.00
 assign (resid  20 and name HN  ) (resid  20 and name HG* )  0.00 -2.00  4.56 
 assign (resid  20 and name HB* ) (resid  21 and name HN  )  0.00 -2.00  6.00
 assign (resid  20 and name HN  ) (resid  21 and name HN  )  0.00 -2.00  5.00
 assign (resid  20 and name HN  ) (resid  22 and name HN  )  0.00 -2.00  5.00
 assign (resid  20 and name HA  ) (resid  23 and name HN  )  0.00 -2.00  5.00
 assign (resid  21 and name HB* ) (resid  21 and name HA  )  0.00 -2.00  5.00
 assign (resid  21 and name HB* ) (resid  21 and name HG* )  0.00 -2.00  5.00
 assign (resid  21 and name HG* ) (resid  21 and name HA  )  0.00 -2.00  5.60
 assign (resid  21 and name HN  ) (resid  21 and name HA  )  0.00 -2.00  5.00
 assign (resid  21 and name HN  ) (resid  21 and name HB* )  0.00 -2.00  5.60
 assign (resid  21 and name HN  ) (resid  21 and name HG* )  0.00 -2.00  6.00
 assign (resid  21 and name HA  ) (resid  22 and name HN  )  0.00 -2.00  5.00
 assign (resid  21 and name HB* ) (resid  22 and name HN  )  0.00 -2.00  6.00
 assign (resid  21 and name HN  ) (resid  22 and name HN  )  0.00 -2.00  5.00
 assign (resid  22 and name HB* ) (resid  22 and name HA  )  0.00 -2.00  5.00
 assign (resid  22 and name HD* ) (resid  22 and name HA  )  0.00 -2.00  6.00
 assign (resid  22 and name HD* ) (resid  22 and name HB* )  0.00 -2.00  5.00
 assign (resid  22 and name HE* ) (resid  22 and name HA  )  0.00 -2.00  5.60
 assign (resid  22 and name HE* ) (resid  22 and name HB* )  0.00 -2.00  5.00
 assign (resid  22 and name HN  ) (resid  22 and name HA  )  0.00 -2.00  3.56
 assign (resid  22 and name HN  ) (resid  22 and name HB* )  0.00 -2.00  5.60
 assign (resid  22 and name HN  ) (resid  22 and name HD* )  0.00 -2.00  7.00
 assign (resid  22 and name HA  ) (resid  23 and name HN  )  0.00 -2.00  5.00
 assign (resid  22 and name HB* ) (resid  23 and name HN  )  0.00 -2.00  6.00
 assign (resid  22 and name HD* ) (resid  23 and name HN  )  0.00 -2.00  7.00
 assign (resid  22 and name HN  ) (resid  23 and name HA  )  0.00 -2.00  5.00
 assign (resid  22 and name HN  ) (resid  23 and name HB  )  0.00 -2.00  5.00
 assign (resid  22 and name HN  ) (resid  23 and name HN  )  0.00 -2.00  5.00
 assign (resid  22 and name HA  ) (resid  25 and name HE3 )  0.00 -2.00  5.00
 assign (resid  22 and name HA  ) (resid  25 and name HB* )  0.00 -2.00  6.00
 assign (resid  22 and name HA  ) (resid  25 and name HD1 )  0.00 -2.00  5.00 
 assign (resid  22 and name HA  ) (resid  25 and name HN  )  0.00 -2.00  5.00
 assign (resid  22 and name HD* ) (resid  25 and name HA  )  0.00 -2.00  7.00 
 assign (resid  22 and name HZ  ) (resid  25 and name HB* )  0.00 -2.00  6.00 
 assign (resid  22 and name HA  ) (resid  26 and name HN  )  0.00 -2.00  5.00
 assign (resid  22 and name HD* ) (resid  26 and name HB* )  0.00 -2.00  7.65 
 assign (resid  22 and name HD* ) (resid  26 and name HD* )  0.00 -2.00  9.90
 assign (resid  22 and name HE* ) (resid  26 and name HD* )  0.00 -2.00  9.90
 assign (resid  22 and name HZ  ) (resid  26 and name HD* )  0.00 -2.00  7.90 
 assign (resid  23 and name HB  ) (resid  23 and name HA  )  0.00 -2.00  5.00
 assign (resid  23 and name HD* ) (resid  23 and name HB  )  0.00 -2.00  6.25
 assign (resid  23 and name HD* ) (resid  23 and name HG1*)  0.00 -2.00  6.75
 assign (resid  23 and name HG1*) (resid  23 and name HA  )  0.00 -2.00  6.10
 assign (resid  23 and name HG1*) (resid  23 and name HB  )  0.00 -2.00  5.50
 assign (resid  23 and name HG2*) (resid  23 and name HA  )  0.00 -2.00  6.10
 assign (resid  23 and name HG2*) (resid  23 and name HB  )  0.00 -2.00  5.50
 assign (resid  23 and name HG2*) (resid  23 and name HG1*)  0.00 -2.00  7.50
 assign (resid  23 and name HN  ) (resid  23 and name HA  )  0.00 -2.00  5.00
 assign (resid  23 and name HN  ) (resid  23 and name HB  )  0.00 -2.00  5.00
 assign (resid  23 and name HN  ) (resid  23 and name HG1*)  0.00 -2.00  6.50
 assign (resid  23 and name HN  ) (resid  23 and name HG2*)  0.00 -2.00  6.50
 assign (resid  23 and name HB  ) (resid  24 and name HN  )  0.00 -2.00  5.00
 assign (resid  23 and name HG2*) (resid  24 and name HN  )  0.00 -2.00  6.50
 assign (resid  23 and name HN  ) (resid  24 and name HB* )  0.00 -2.00  6.50
 assign (resid  23 and name HN  ) (resid  24 and name HN  )  0.00 -2.00  5.00
 assign (resid  23 and name HA  ) (resid  26 and name HB* )  0.00 -2.00  5.88 
 assign (resid  23 and name HA  ) (resid  26 and name HN  )  0.00 -2.00  5.00 
 assign (resid  23 and name HA  ) (resid  27 and name HN  )  0.00 -2.00  5.00 
 assign (resid  24 and name HB* ) (resid  24 and name HA  )  0.00 -2.00  6.10
 assign (resid  24 and name HN  ) (resid  24 and name HA  )  0.00 -2.00  5.00
 assign (resid  24 and name HN  ) (resid  24 and name HB* )  0.00 -2.00  6.10
 assign (resid  24 and name HB* ) (resid  25 and name HN  )  0.00 -2.00  6.50
 assign (resid  24 and name HN  ) (resid  25 and name HB* )  0.00 -2.00  6.00
 assign (resid  24 and name HA  ) (resid  27 and name HG* )  0.00 -2.00  7.90
 assign (resid  24 and name HA  ) (resid  27 and name HB  )  0.00 -2.00  5.00
 assign (resid  24 and name HA  ) (resid  27 and name HN  )  0.00 -2.00  5.00
 assign (resid  25 and name HE3 ) (resid  25 and name HB* )  0.00 -2.00  5.00  
 assign (resid  25 and name HB* ) (resid  25 and name HA  )  0.00 -2.00  5.00  
 assign (resid  25 and name HD1 ) (resid  25 and name HA  )  0.00 -2.00  5.00 
 assign (resid  25 and name HD1 ) (resid  25 and name HB* )  0.00 -2.00  5.76  
 assign (resid  25 and name HN  ) (resid  25 and name HA  )  0.00 -2.00  5.00  
 assign (resid  25 and name HN  ) (resid  25 and name HB* )  0.00 -2.00  4.16  
 assign (resid  25 and name HE1 ) (resid  25 and name HB* )  0.00 -2.00  5.85
 assign (resid  25 and name HE1 ) (resid  25 and name HD1 )  0.00 -2.00  5.00
 assign (resid  25 and name HE1 ) (resid  25 and name HZ2 )  0.00 -2.00  5.00 
 assign (resid  25 and name HA  ) (resid  26 and name HN  )  0.00 -2.00  5.00
 assign (resid  25 and name HE3 ) (resid  26 and name HB* )  0.00 -2.00  6.00
 assign (resid  25 and name HE3 ) (resid  26 and name HN  )  0.00 -2.00  5.00
 assign (resid  25 and name HB* ) (resid  26 and name HN  )  0.00 -2.00  6.00
 assign (resid  25 and name HN  ) (resid  26 and name HB* )  0.00 -2.00  5.88  
 assign (resid  25 and name HD1 ) (resid  26 and name HD* )  0.00 -2.00  7.31 
 assign (resid  25 and name HA  ) (resid  28 and name HB* )  0.00 -2.00  5.88  
 assign (resid  26 and name HG  ) (resid  26 and name HB* )  0.00 -2.00  5.00
 assign (resid  26 and name HN  ) (resid  26 and name HA  )  0.00 -2.00  3.56
 assign (resid  26 and name HN  ) (resid  26 and name HB* )  0.00 -2.00  5.60
 assign (resid  26 and name HD* ) (resid  27 and name HN  )  0.00 -2.00  7.90
 assign (resid  27 and name HB  ) (resid  27 and name HA  )  0.00 -2.00  5.00
 assign (resid  27 and name HG* ) (resid  27 and name HA  )  0.00 -2.00  6.10
 assign (resid  27 and name HG* ) (resid  27 and name HB  )  0.00 -2.00  5.50
 assign (resid  27 and name HN  ) (resid  27 and name HA  )  0.00 -2.00  5.00
 assign (resid  27 and name HN  ) (resid  27 and name HB  )  0.00 -2.00  5.00 
 assign (resid  27 and name HN  ) (resid  27 and name HG* )  0.00 -2.00  7.20
 assign (resid  27 and name HA  ) (resid  28 and name HN  )  0.00 -2.00  5.00
 assign (resid  27 and name HB  ) (resid  28 and name HG* )  0.00 -2.00  6.00
 assign (resid  27 and name HB  ) (resid  28 and name HN  )  0.00 -2.00  5.00
 assign (resid  27 and name HG* ) (resid  28 and name HN  )  0.00 -2.00  7.90
 assign (resid  27 and name HN  ) (resid  28 and name HB* )  0.00 -2.00  6.00
 assign (resid  27 and name HN  ) (resid  28 and name HN  )  0.00 -2.00  5.00
 assign (resid  27 and name HN  ) (resid  30 and name HN  )  0.00 -2.00  5.00  
 assign (resid  28 and name HB* ) (resid  28 and name HA  )  0.00 -2.00  5.00
 assign (resid  28 and name HD* ) (resid  28 and name HA  )  0.00 -2.00  6.00
 assign (resid  28 and name HD* ) (resid  28 and name HB* )  0.00 -2.00  5.76
 assign (resid  28 and name HD* ) (resid  28 and name HE* )  0.00 -2.00  5.00
 assign (resid  28 and name HG* ) (resid  28 and name HA  )  0.00 -2.00  5.60
 assign (resid  28 and name HG* ) (resid  28 and name HB* )  0.00 -2.00  5.00
 assign (resid  28 and name HN  ) (resid  28 and name HA  )  0.00 -2.00  3.56
 assign (resid  28 and name HN  ) (resid  28 and name HB* )  0.00 -2.00  5.60
 assign (resid  28 and name HN  ) (resid  28 and name HG* )  0.00 -2.00  6.00
 assign (resid  28 and name HA  ) (resid  29 and name HN  )  0.00 -2.00  5.00
 assign (resid  28 and name HB* ) (resid  29 and name HN  )  0.00 -2.00  6.00
 assign (resid  28 and name HN  ) (resid  30 and name HN  )  0.00 -2.00  5.00
 assign (resid  29 and name HN  ) (resid  29 and name HA* )  0.00 -2.00  2.85
 assign (resid  29 and name HA* ) (resid  30 and name HN  )  0.00 -2.00  6.00
 assign (resid  29 and name HN  ) (resid  30 and name HN  )  0.00 -2.00  5.00
 assign (resid  30 and name HB* ) (resid  30 and name HA  )  0.00 -2.00  5.00
 assign (resid  30 and name HN  ) (resid  30 and name HA  )  0.00 -2.00  5.00
 assign (resid  30 and name HN  ) (resid  30 and name HB* )  0.00 -2.00  5.60
 assign (resid  30 and name HN  ) (resid  30 and name HG* )  0.00 -2.00  6.00
 assign (resid  30 and name HN  ) (resid  30 and name NH1 )  0.00 -2.00  5.00
 assign (resid  30 and name HN  ) (resid  30 and name NH2 )  0.00 -2.00  5.00
 assign (resid  11 and name HN  ) (resid   7 and name O   )  0.00 -1.80  2.00
 assign (resid  11 and name N   ) (resid   7 and name O   )  0.00 -2.70  3.00
 assign (resid  12 and name HN  ) (resid   8 and name O   )  0.00 -1.80  2.00
 assign (resid  12 and name N   ) (resid   8 and name O   )  0.00 -2.70  3.00
 assign (resid  13 and name HN  ) (resid   9 and name O   )  0.00 -1.80  2.00
 assign (resid  13 and name N   ) (resid   9 and name O   )  0.00 -2.70  3.00
 assign (resid  14 and name HN  ) (resid  10 and name O   )  0.00 -1.80  2.00
 assign (resid  14 and name N   ) (resid  10 and name O   )  0.00 -2.70  3.00
 assign (resid  15 and name HN  ) (resid  11 and name O   )  0.00 -1.80  2.00
 assign (resid  15 and name N   ) (resid  11 and name O   )  0.00 -2.70  3.00
 assign (resid  22 and name HN  ) (resid  18 and name O   )  0.00 -1.80  2.00
 assign (resid  22 and name N   ) (resid  18 and name O   )  0.00 -2.70  3.00
 assign (resid  23 and name HN  ) (resid  19 and name O   )  0.00 -1.80  2.00
 assign (resid  23 and name N   ) (resid  19 and name O   )  0.00 -2.70  3.00
 assign (resid  24 and name HN  ) (resid  20 and name O   )  0.00 -1.80  2.00
 assign (resid  24 and name N   ) (resid  20 and name O   )  0.00 -2.70  3.00
 assign (resid  25 and name HN  ) (resid  21 and name O   )  0.00 -1.80  2.00
 assign (resid  25 and name N   ) (resid  21 and name O   )  0.00 -2.70  3.00
 assign (resid  26 and name HN  ) (resid  22 and name O   )  0.00 -1.80  2.00
 assign (resid  26 and name N   ) (resid  22 and name O   )  0.00 -2.70  3.00
 assign (resid  27 and name HN  ) (resid  23 and name O   )  0.00 -1.80  2.00
 assign (resid  27 and name N   ) (resid  23 and name O   )  0.00 -2.70  3.00
 assign (resid  28 and name HN  ) (resid  24 and name O   )  0.00 -1.80  2.00
 assign (resid  28 and name N   ) (resid  24 and name O   )  0.00 -2.70  3.00






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          1H        HIS   1 -18.853   0.052   5.986
    2   2H    HIS   1          2H        HIS   1 -19.986  -1.171   6.388
    3   3H    HIS   1          3H        HIS   1 -20.412   0.111   5.362
    4    HA   HIS   1           HA       HIS   1 -18.183  -1.077   4.200
    5   1HB   HIS   1          2HB       HIS   1 -18.831  -3.201   5.489
    6   2HB   HIS   1          1HB       HIS   1 -20.484  -3.026   4.892
    7    HD1  HIS   1           HD1      HIS   1 -17.265  -2.662   2.935
    8    HD2  HIS   1           HD2      HIS   1 -20.676  -4.939   2.985
    9    HE1  HIS   1           HE1      HIS   1 -17.181  -4.106   0.964
   10    H    ALA   2           H        ALA   2 -18.834  -1.472   1.883
   11    HA   ALA   2           HA       ALA   2 -20.417  -1.340   0.055
   12   1HB   ALA   2          1HB       ALA   2 -22.320   0.310   0.169
   13   2HB   ALA   2          2HB       ALA   2 -21.802   0.901   1.722
   14   3HB   ALA   2          3HB       ALA   2 -22.447  -0.727   1.574
   15    H    GLU   3           H        GLU   3 -18.331  -0.896  -0.252
   16    HA   GLU   3           HA       GLU   3 -16.346   0.545  -0.314
   17   1HB   GLU   3          2HB       GLU   3 -17.976   0.132  -2.807
   18   2HB   GLU   3          1HB       GLU   3 -16.234   0.384  -2.753
   19   1HG   GLU   3          2HG       GLU   3 -17.780  -2.095  -1.746
   20   2HG   GLU   3          1HG       GLU   3 -16.223  -2.010  -2.508
   21    H    GLY   4           H        GLY   4 -16.552   1.977   0.767
   22   1HA   GLY   4          2HA       GLY   4 -15.600   4.425   0.662
   23   2HA   GLY   4          1HA       GLY   4 -17.298   4.811   0.209
   24    H    THR   5           H        THR   5 -18.908   3.893   1.495
   25    HA   THR   5           HA       THR   5 -19.470   4.462   3.982
   26    HB   THR   5           HB       THR   5 -19.993   1.683   2.881
   27    HG1  THR   5           HG1      THR   5 -20.793   2.933   1.436
   28   1HG2  THR   5          1HG2      THR   5 -21.725   3.681   4.432
   29   2HG2  THR   5          2HG2      THR   5 -20.967   2.341   5.283
   30   3HG2  THR   5          3HG2      THR   5 -22.153   2.039   4.013
   31    H    PHE   6           H        PHE   6 -17.332   4.562   4.898
   32    HA   PHE   6           HA       PHE   6 -15.963   4.222   6.769
   33   1HB   PHE   6          2HB       PHE   6 -17.774   3.237   8.085
   34   2HB   PHE   6          1HB       PHE   6 -17.783   1.744   7.180
   35    HD1  PHE   6           HD1      PHE   6 -14.846   3.641   8.606
   36    HD2  PHE   6           HD2      PHE   6 -17.210   0.094   8.732
   37    HE1  PHE   6           HE1      PHE   6 -13.288   2.658  10.186
   38    HE2  PHE   6           HE2      PHE   6 -15.630  -0.888  10.327
   39    HZ   PHE   6           HZ       PHE   6 -13.660   0.401  11.057
   40    H    THR   7           H        THR   7 -16.475   1.014   5.386
   41    HA   THR   7           HA       THR   7 -14.285  -0.457   5.426
   42    HB   THR   7           HB       THR   7 -15.624   0.343   2.766
   43    HG1  THR   7           HG1      THR   7 -15.604  -2.175   3.597
   44   1HG2  THR   7          1HG2      THR   7 -13.691  -1.990   3.316
   45   2HG2  THR   7          2HG2      THR   7 -13.283  -0.614   2.308
   46   3HG2  THR   7          3HG2      THR   7 -14.578  -1.673   1.841
   47    H    SER   8           H        SER   8 -14.175   2.391   3.460
   48    HA   SER   8           HA       SER   8 -11.697   2.485   2.276
   49   1HB   SER   8          2HB       SER   8 -13.340   4.381   2.235
   50   2HB   SER   8          1HB       SER   8 -12.859   4.803   3.889
   51    HG   SER   8           HG       SER   8 -11.004   5.593   3.069
   52    H    ASP   9           H        ASP   9 -12.208   3.533   5.569
   53    HA   ASP   9           HA       ASP   9  -9.589   4.185   6.384
   54   1HB   ASP   9          2HB       ASP   9 -11.604   4.766   7.650
   55   2HB   ASP   9          1HB       ASP   9 -12.068   3.094   7.844
   56    H    VAL  10           H        VAL  10 -11.040   1.369   7.654
   57    HA   VAL  10           HA       VAL  10  -9.024  -0.227   8.509
   58    HB   VAL  10           HB       VAL  10 -11.335  -1.178   6.722
   59   1HG1  VAL  10          1HG1      VAL  10  -9.590  -2.987   7.057
   60   2HG1  VAL  10          2HG1      VAL  10 -11.067  -3.372   7.920
   61   3HG1  VAL  10          3HG1      VAL  10  -9.682  -2.735   8.789
   62   1HG2  VAL  10          1HG2      VAL  10 -12.480  -1.589   8.910
   63   2HG2  VAL  10          2HG2      VAL  10 -12.046   0.098   8.757
   64   3HG2  VAL  10          3HG2      VAL  10 -11.085  -0.956   9.765
   65    H    SER  11           H        SER  11  -9.943  -0.187   5.128
   66    HA   SER  11           HA       SER  11  -7.759  -1.832   4.129
   67   1HB   SER  11          2HB       SER  11  -9.904  -1.153   2.817
   68   2HB   SER  11          1HB       SER  11  -9.068   0.372   2.471
   69    HG   SER  11           HG       SER  11  -7.397  -0.737   1.528
   70    H    SER  12           H        SER  12  -8.127   1.683   3.759
   71    HA   SER  12           HA       SER  12  -5.580   2.336   2.834
   72   1HB   SER  12          2HB       SER  12  -7.410   4.022   3.161
   73   2HB   SER  12          1HB       SER  12  -7.164   3.944   4.912
   74    HG   SER  12           HG       SER  12  -4.860   4.226   3.336
   75    H    TYR  13           H        TYR  13  -6.569   1.801   6.123
   76    HA   TYR  13           HA       TYR  13  -4.079   2.413   7.424
   77   1HB   TYR  13          2HB       TYR  13  -6.106   2.029   8.836
   78   2HB   TYR  13          1HB       TYR  13  -6.294   0.405   8.203
   79    HD1  TYR  13           HD1      TYR  13  -3.823   2.564   9.998
   80    HD2  TYR  13           HD2      TYR  13  -5.177  -1.391   9.249
   81    HE1  TYR  13           HE1      TYR  13  -2.211   1.682  11.666
   82    HE2  TYR  13           HE2      TYR  13  -3.556  -2.245  10.922
   83    HH   TYR  13           HH       TYR  13  -2.306  -0.669  13.159
   84    H    LEU  14           H        LEU  14  -5.337  -0.796   6.485
   85    HA   LEU  14           HA       LEU  14  -3.072  -2.384   6.906
   86   1HB   LEU  14          2HB       LEU  14  -5.000  -2.422   4.511
   87   2HB   LEU  14          1HB       LEU  14  -3.871  -3.714   4.827
   88    HG   LEU  14           HG       LEU  14  -5.976  -2.836   6.867
   89   1HD1  LEU  14          1HD1      LEU  14  -7.233  -4.828   6.062
   90   2HD1  LEU  14          2HD1      LEU  14  -5.999  -5.136   4.847
   91   3HD1  LEU  14          3HD1      LEU  14  -6.992  -3.697   4.744
   92   1HD2  LEU  14          1HD2      LEU  14  -5.469  -5.085   7.814
   93   2HD2  LEU  14          2HD2      LEU  14  -3.987  -4.158   7.731
   94   3HD2  LEU  14          3HD2      LEU  14  -4.318  -5.390   6.530
   95    H    GLU  15           H        GLU  15  -3.727  -0.524   4.032
   96    HA   GLU  15           HA       GLU  15  -1.311  -0.918   2.573
   97   1HB   GLU  15          2HB       GLU  15  -3.121   1.555   2.692
   98   2HB   GLU  15          1HB       GLU  15  -1.985   1.221   1.417
   99   1HG   GLU  15          2HG       GLU  15  -3.310  -0.582   0.546
  100   2HG   GLU  15          1HG       GLU  15  -4.170  -0.817   2.055
  101    H    GLY  16           H        GLY  16  -2.128   1.895   4.442
  102   1HA   GLY  16          2HA       GLY  16   0.251   3.362   4.619
  103   2HA   GLY  16          1HA       GLY  16  -0.963   3.357   5.897
  104    H    GLN  17           H        GLN  17  -0.727   0.643   6.469
  105    HA   GLN  17           HA       GLN  17   1.611   0.734   8.220
  106   1HB   GLN  17          2HB       GLN  17  -0.944  -0.611   8.225
  107   2HB   GLN  17          1HB       GLN  17   0.249  -1.886   8.199
  108   1HG   GLN  17          2HG       GLN  17  -0.026   0.378  10.277
  109   2HG   GLN  17          1HG       GLN  17  -0.222  -1.328  10.557
  110   1HE2  GLN  17          1HE2      GLN  17   1.444  -2.176  11.665
  111   2HE2  GLN  17          2HE2      GLN  17   3.066  -1.629  11.585
  112    H    ALA  18           H        ALA  18   0.525  -1.815   6.024
  113    HA   ALA  18           HA       ALA  18   2.637  -3.424   5.644
  114   1HB   ALA  18          1HB       ALA  18   0.940  -2.122   3.455
  115   2HB   ALA  18          2HB       ALA  18   0.499  -3.534   4.387
  116   3HB   ALA  18          3HB       ALA  18   1.833  -3.622   3.241
  117    H    ALA  19           H        ALA  19   2.421  -0.484   3.804
  118    HA   ALA  19           HA       ALA  19   4.546  -0.205   2.228
  119   1HB   ALA  19          1HB       ALA  19   3.675   1.823   4.346
  120   2HB   ALA  19          2HB       ALA  19   2.947   1.580   2.773
  121   3HB   ALA  19          3HB       ALA  19   4.570   2.234   2.887
  122    H    LYS  20           H        LYS  20   5.032  -0.067   5.663
  123    HA   LYS  20           HA       LYS  20   7.612   0.800   6.081
  124   1HB   LYS  20          2HB       LYS  20   6.458  -1.758   7.273
  125   2HB   LYS  20          1HB       LYS  20   7.799  -0.873   7.970
  126   1HG   LYS  20          2HG       LYS  20   4.878  -0.313   8.034
  127   2HG   LYS  20          1HG       LYS  20   6.058  -0.197   9.282
  128   1HD   LYS  20          2HD       LYS  20   7.021   1.893   8.462
  129   2HD   LYS  20          1HD       LYS  20   6.035   1.880   7.009
  130   1HE   LYS  20          2HE       LYS  20   4.997   2.159   9.836
  131   2HE   LYS  20          1HE       LYS  20   5.051   3.426   8.610
  132   1HZ   LYS  20          1HZ       LYS  20   3.069   2.533   7.726
  133   2HZ   LYS  20          2HZ       LYS  20   3.168   1.316   8.915
  134   3HZ   LYS  20          3HZ       LYS  20   3.874   1.116   7.453
  135    H    GLU  21           H        GLU  21   6.950  -2.491   5.147
  136    HA   GLU  21           HA       GLU  21   9.391  -3.720   5.075
  137   1HB   GLU  21          2HB       GLU  21   7.392  -4.841   4.340
  138   2HB   GLU  21          1HB       GLU  21   7.201  -3.776   2.965
  139   1HG   GLU  21          2HG       GLU  21   8.291  -6.173   2.560
  140   2HG   GLU  21          1HG       GLU  21   9.099  -4.829   1.790
  141    H    PHE  22           H        PHE  22   8.326  -1.767   2.403
  142    HA   PHE  22           HA       PHE  22  10.985  -1.761   1.122
  143   1HB   PHE  22          2HB       PHE  22   8.772  -1.927  -0.142
  144   2HB   PHE  22          1HB       PHE  22   8.424  -0.272   0.321
  145    HD1  PHE  22           HD1      PHE  22  10.303   1.512  -0.291
  146    HD2  PHE  22           HD2      PHE  22   9.973  -2.330  -2.090
  147    HE1  PHE  22           HE1      PHE  22  11.621   2.292  -2.198
  148    HE2  PHE  22           HE2      PHE  22  11.293  -1.550  -3.998
  149    HZ   PHE  22           HZ       PHE  22  12.120   0.766  -4.057
  150    H    ILE  23           H        ILE  23   8.804   0.556   2.653
  151    HA   ILE  23           HA       ILE  23  10.218   2.922   2.359
  152    HB   ILE  23           HB       ILE  23   8.115   1.940   4.046
  153   1HG1  ILE  23          2HG1      ILE  23   7.968   4.039   2.794
  154   2HG1  ILE  23          1HG1      ILE  23   7.577   4.322   4.472
  155   1HG2  ILE  23          1HG2      ILE  23  10.172   3.356   5.818
  156   2HG2  ILE  23          2HG2      ILE  23   9.676   1.690   5.977
  157   3HG2  ILE  23          3HG2      ILE  23   8.528   2.982   6.285
  158   1HD1  ILE  23          1HD1      ILE  23  10.309   4.927   3.207
  159   2HD1  ILE  23          2HD1      ILE  23   9.887   5.222   4.877
  160   3HD1  ILE  23          3HD1      ILE  23   9.087   6.115   3.604
  161    H    ALA  24           H        ALA  24  10.858   0.416   4.563
  162    HA   ALA  24           HA       ALA  24  13.344   1.623   5.618
  163   1HB   ALA  24          1HB       ALA  24  11.865  -1.000   6.216
  164   2HB   ALA  24          2HB       ALA  24  11.731   0.489   7.136
  165   3HB   ALA  24          3HB       ALA  24  13.246  -0.396   7.143
  166    H    TRP  25           H        TRP  25  12.419  -1.057   3.490
  167    HA   TRP  25           HA       TRP  25  14.618  -2.619   3.124
  168   1HB   TRP  25          2HB       TRP  25  12.694  -2.788   1.579
  169   2HB   TRP  25          1HB       TRP  25  13.083  -1.228   0.853
  170    HD1  TRP  25           HD1      TRP  25  15.333  -4.225   1.698
  171    HE1  TRP  25           HE1      TRP  25  16.543  -4.841  -0.465
  172    HE3  TRP  25           HE3      TRP  25  13.272  -0.927  -1.446
  173    HZ2  TRP  25           HZ2      TRP  25  16.678  -4.065  -3.173
  174    HZ3  TRP  25           HZ3      TRP  25  13.931  -0.837  -3.828
  175    HH2  TRP  25           HH2      TRP  25  15.638  -2.404  -4.705
  176    H    LEU  26           H        LEU  26  14.463   0.413   1.489
  177    HA   LEU  26           HA       LEU  26  16.953   0.597   0.271
  178   1HB   LEU  26          2HB       LEU  26  15.390   2.821   1.674
  179   2HB   LEU  26          1HB       LEU  26  16.535   3.084   0.370
  180    HG   LEU  26           HG       LEU  26  13.856   1.611   0.224
  181   1HD1  LEU  26          1HD1      LEU  26  13.814   4.044   0.146
  182   2HD1  LEU  26          2HD1      LEU  26  13.387   3.357  -1.412
  183   3HD1  LEU  26          3HD1      LEU  26  14.989   4.041  -1.166
  184   1HD2  LEU  26          1HD2      LEU  26  15.522   0.379  -1.187
  185   2HD2  LEU  26          2HD2      LEU  26  15.976   1.884  -1.968
  186   3HD2  LEU  26          3HD2      LEU  26  14.360   1.225  -2.160
  187    H    VAL  27           H        VAL  27  16.629   0.546   3.562
  188    HA   VAL  27           HA       VAL  27  19.437   1.347   4.202
  189    HB   VAL  27           HB       VAL  27  16.873   1.399   5.919
  190   1HG1  VAL  27          1HG1      VAL  27  18.333   2.443   7.647
  191   2HG1  VAL  27          2HG1      VAL  27  19.729   2.289   6.599
  192   3HG1  VAL  27          3HG1      VAL  27  18.951   0.854   7.234
  193   1HG2  VAL  27          1HG2      VAL  27  17.222   3.858   5.951
  194   2HG2  VAL  27          2HG2      VAL  27  17.036   3.316   4.297
  195   3HG2  VAL  27          3HG2      VAL  27  18.631   3.708   4.922
  196    H    LYS  28           H        LYS  28  16.679  -0.598   4.956
  197    HA   LYS  28           HA       LYS  28  18.196  -2.855   6.115
  198   1HB   LYS  28          2HB       LYS  28  16.012  -2.025   7.051
  199   2HB   LYS  28          1HB       LYS  28  15.241  -2.295   5.506
  200   1HG   LYS  28          2HG       LYS  28  16.571  -4.725   6.561
  201   2HG   LYS  28          1HG       LYS  28  15.370  -4.131   7.680
  202   1HD   LYS  28          2HD       LYS  28  14.817  -4.792   4.690
  203   2HD   LYS  28          1HD       LYS  28  14.444  -5.843   6.022
  204   1HE   LYS  28          2HE       LYS  28  12.833  -4.230   6.891
  205   2HE   LYS  28          1HE       LYS  28  13.271  -3.070   5.637
  206   1HZ   LYS  28          1HZ       LYS  28  11.843  -4.159   4.211
  207   2HZ   LYS  28          2HZ       LYS  28  11.443  -5.255   5.363
  208   3HZ   LYS  28          3HZ       LYS  28  12.648  -5.533   4.309
  209    H    GLY  29           H        GLY  29  19.022  -2.284   3.819
  210   1HA   GLY  29          2HA       GLY  29  18.433  -4.522   1.933
  211   2HA   GLY  29          1HA       GLY  29  18.685  -2.888   1.310
  212    H    ARG  30           HN       ARG  30  20.604  -2.675   3.702
  213    HA   ARG  30           HA       ARG  30  22.972  -3.990   2.407
  214   1HB   ARG  30          2HB       ARG  30  23.066  -1.604   4.246
  215   2HB   ARG  30          1HB       ARG  30  24.322  -2.171   3.173
  216   1HG   ARG  30          2HG       ARG  30  22.619  -1.557   1.244
  217   2HG   ARG  30          1HG       ARG  30  21.755  -0.690   2.509
  218   1HD   ARG  30          2HD       ARG  30  24.149   0.364   3.043
  219   2HD   ARG  30          1HD       ARG  30  24.588  -0.207   1.442
  220    HE   ARG  30           HE       ARG  30  23.626   2.066   1.002
  221   1HH1  ARG  30          1HH2      ARG  30  21.970   2.386   3.188
  222   2HH1  ARG  30          2HH2      ARG  30  20.375   2.260   2.479
  223   1HH2  ARG  30          1HH1      ARG  30  21.578   0.702  -0.255
  224   2HH2  ARG  30          2HH1      ARG  30  20.161   1.310   0.572
  Start of MODEL    2
    1   1H    HIS   1          1H        HIS   1 -19.427   6.782   8.350
    2   2H    HIS   1          2H        HIS   1 -18.236   7.757   9.028
    3   3H    HIS   1          3H        HIS   1 -19.876   8.006   9.440
    4    HA   HIS   1           HA       HIS   1 -17.987   6.306  10.669
    5   1HB   HIS   1          2HB       HIS   1 -19.880   6.042  12.319
    6   2HB   HIS   1          1HB       HIS   1 -19.698   7.714  11.847
    7    HD1  HIS   1           HD1      HIS   1 -22.300   7.363  12.789
    8    HD2  HIS   1           HD2      HIS   1 -21.617   6.177   8.930
    9    HE1  HIS   1           HE1      HIS   1 -24.484   7.289  11.645
   10    H    ALA   2           H        ALA   2 -18.979   3.918  11.471
   11    HA   ALA   2           HA       ALA   2 -19.426   1.705  10.849
   12   1HB   ALA   2          1HB       ALA   2 -21.705   2.704  10.562
   13   2HB   ALA   2          2HB       ALA   2 -21.445   1.471   9.347
   14   3HB   ALA   2          3HB       ALA   2 -21.342   3.163   8.913
   15    H    GLU   3           H        GLU   3 -19.633   3.183   7.699
   16    HA   GLU   3           HA       GLU   3 -17.601   1.282   6.536
   17   1HB   GLU   3          2HB       GLU   3 -19.667   1.222   5.307
   18   2HB   GLU   3          1HB       GLU   3 -19.916   2.953   5.366
   19   1HG   GLU   3          2HG       GLU   3 -19.103   2.164   3.087
   20   2HG   GLU   3          1HG       GLU   3 -17.911   3.229   3.787
   21    H    GLY   4           H        GLY   4 -18.660   4.577   6.113
   22   1HA   GLY   4          2HA       GLY   4 -16.037   5.694   5.415
   23   2HA   GLY   4          1HA       GLY   4 -17.440   6.683   5.847
   24    H    THR   5           H        THR   5 -14.765   4.989   6.909
   25    HA   THR   5           HA       THR   5 -13.206   5.911   8.655
   26    HB   THR   5           HB       THR   5 -15.172   7.102   9.938
   27    HG1  THR   5           HG1      THR   5 -12.943   5.840  10.742
   28   1HG2  THR   5          1HG2      THR   5 -16.598   4.923  10.103
   29   2HG2  THR   5          2HG2      THR   5 -16.263   5.700  11.672
   30   3HG2  THR   5          3HG2      THR   5 -15.395   4.304  11.164
   31    H    PHE   6           H        PHE   6 -13.374   4.249  11.009
   32    HA   PHE   6           HA       PHE   6 -12.146   1.948  10.590
   33   1HB   PHE   6          2HB       PHE   6 -13.587   0.898  12.490
   34   2HB   PHE   6          1HB       PHE   6 -12.685   2.357  12.804
   35    HD1  PHE   6           HD1      PHE   6 -16.172   1.243  11.862
   36    HD2  PHE   6           HD2      PHE   6 -13.713   4.137  13.751
   37    HE1  PHE   6           HE1      PHE   6 -18.169   2.359  12.752
   38    HE2  PHE   6           HE2      PHE   6 -15.687   5.269  14.648
   39    HZ   PHE   6           HZ       PHE   6 -17.937   4.391  14.158
   40    H    THR   7           H        THR   7 -12.689   1.516   8.518
   41    HA   THR   7           HA       THR   7 -13.372  -1.098   7.759
   42    HB   THR   7           HB       THR   7 -15.769   0.794   7.299
   43    HG1  THR   7           HG1      THR   7 -16.454  -0.360   8.804
   44   1HG2  THR   7          1HG2      THR   7 -15.281  -0.716   5.256
   45   2HG2  THR   7          2HG2      THR   7 -16.772  -1.078   6.088
   46   3HG2  THR   7          3HG2      THR   7 -15.361  -2.090   6.362
   47    H    SER   8           H        SER   8 -14.442   1.951   6.299
   48    HA   SER   8           HA       SER   8 -13.236   1.548   3.767
   49   1HB   SER   8          2HB       SER   8 -13.497   4.077   3.523
   50   2HB   SER   8          1HB       SER   8 -14.955   3.312   4.167
   51    HG   SER   8           HG       SER   8 -14.111   3.660   6.266
   52    H    ASP   9           H        ASP   9 -12.065   3.631   6.353
   53    HA   ASP   9           HA       ASP   9  -9.536   4.345   5.381
   54   1HB   ASP   9          2HB       ASP   9  -9.036   4.597   7.968
   55   2HB   ASP   9          1HB       ASP   9 -10.388   5.492   7.358
   56    H    VAL  10           H        VAL  10 -10.222   1.574   7.392
   57    HA   VAL  10           HA       VAL  10  -7.785   0.286   7.747
   58    HB   VAL  10           HB       VAL  10 -10.361  -1.064   6.752
   59   1HG1  VAL  10          1HG1      VAL  10  -9.478  -3.086   7.925
   60   2HG1  VAL  10          2HG1      VAL  10  -8.010  -2.229   8.348
   61   3HG1  VAL  10          3HG1      VAL  10  -8.359  -2.602   6.671
   62   1HG2  VAL  10          1HG2      VAL  10  -9.363  -0.548   9.592
   63   2HG2  VAL  10          2HG2      VAL  10 -10.821  -1.427   9.165
   64   3HG2  VAL  10          3HG2      VAL  10 -10.695   0.281   8.814
   65    H    SER  11           H        SER  11  -9.763  -0.245   4.933
   66    HA   SER  11           HA       SER  11  -8.204  -1.670   3.159
   67   1HB   SER  11          2HB       SER  11  -9.669   0.904   2.312
   68   2HB   SER  11          1HB       SER  11  -9.458  -0.571   1.353
   69    HG   SER  11           HG       SER  11 -11.199  -0.105   3.515
   70    H    SER  12           H        SER  12  -7.819   1.754   3.590
   71    HA   SER  12           HA       SER  12  -5.433   1.738   1.796
   72   1HB   SER  12          2HB       SER  12  -5.213   4.152   2.292
   73   2HB   SER  12          1HB       SER  12  -6.913   3.833   1.950
   74    HG   SER  12           HG       SER  12  -6.939   3.457   4.462
   75    H    TYR  13           H        TYR  13  -6.040   2.041   5.278
   76    HA   TYR  13           HA       TYR  13  -3.306   2.433   6.013
   77   1HB   TYR  13          2HB       TYR  13  -5.298   2.509   7.669
   78   2HB   TYR  13          1HB       TYR  13  -5.297   0.742   7.658
   79    HD1  TYR  13           HD1      TYR  13  -2.928   3.620   7.921
   80    HD2  TYR  13           HD2      TYR  13  -3.793  -0.334   9.195
   81    HE1  TYR  13           HE1      TYR  13  -0.942   3.652   9.383
   82    HE2  TYR  13           HE2      TYR  13  -1.803  -0.276  10.657
   83    HH   TYR  13           HH       TYR  13  -0.443   1.540  11.771
   84    H    LEU  14           H        LEU  14  -4.960  -0.525   5.203
   85    HA   LEU  14           HA       LEU  14  -3.088  -2.541   5.889
   86   1HB   LEU  14          2HB       LEU  14  -4.699  -2.260   3.279
   87   2HB   LEU  14          1HB       LEU  14  -3.879  -3.732   3.739
   88    HG   LEU  14           HG       LEU  14  -6.095  -2.435   5.398
   89   1HD1  LEU  14          1HD1      LEU  14  -7.485  -4.254   4.430
   90   2HD1  LEU  14          2HD1      LEU  14  -6.117  -4.832   3.494
   91   3HD1  LEU  14          3HD1      LEU  14  -6.828  -3.274   3.133
   92   1HD2  LEU  14          1HD2      LEU  14  -4.813  -5.216   5.443
   93   2HD2  LEU  14          2HD2      LEU  14  -6.109  -4.666   6.487
   94   3HD2  LEU  14          3HD2      LEU  14  -4.510  -3.971   6.642
   95    H    GLU  15           H        GLU  15  -3.200  -0.849   2.785
   96    HA   GLU  15           HA       GLU  15  -0.494  -1.603   1.974
   97   1HB   GLU  15          2HB       GLU  15  -1.901  -0.571   0.259
   98   2HB   GLU  15          1HB       GLU  15  -2.186   0.871   1.237
   99   1HG   GLU  15          2HG       GLU  15  -0.327   1.144  -0.595
  100   2HG   GLU  15          1HG       GLU  15   0.264   1.501   1.008
  101    H    GLY  16           H        GLY  16  -1.807   1.116   3.675
  102   1HA   GLY  16          2HA       GLY  16   0.288   2.777   4.372
  103   2HA   GLY  16          1HA       GLY  16  -0.963   2.369   5.545
  104    H    GLN  17           H        GLN  17   0.024  -0.458   5.317
  105    HA   GLN  17           HA       GLN  17   2.184  -0.424   7.390
  106   1HB   GLN  17          2HB       GLN  17   0.503  -2.706   6.208
  107   2HB   GLN  17          1HB       GLN  17   1.630  -2.889   7.514
  108   1HG   GLN  17          2HG       GLN  17  -0.854  -1.060   7.626
  109   2HG   GLN  17          1HG       GLN  17  -0.783  -2.673   8.302
  110   1HE2  GLN  17          1HE2      GLN  17  -0.547  -2.557  10.479
  111   2HE2  GLN  17          2HE2      GLN  17   0.418  -1.397  11.282
  112    H    ALA  18           H        ALA  18   1.448  -2.231   4.484
  113    HA   ALA  18           HA       ALA  18   3.900  -3.322   3.802
  114   1HB   ALA  18          1HB       ALA  18   3.028  -3.164   1.414
  115   2HB   ALA  18          2HB       ALA  18   1.877  -1.962   1.946
  116   3HB   ALA  18          3HB       ALA  18   1.753  -3.609   2.537
  117    H    ALA  19           H        ALA  19   2.779  -0.154   2.976
  118    HA   ALA  19           HA       ALA  19   4.911   1.045   1.649
  119   1HB   ALA  19          1HB       ALA  19   3.928   3.194   2.593
  120   2HB   ALA  19          2HB       ALA  19   3.047   2.241   3.787
  121   3HB   ALA  19          3HB       ALA  19   2.686   2.057   2.083
  122    H    LYS  20           H        LYS  20   4.450   0.834   5.124
  123    HA   LYS  20           HA       LYS  20   7.020   1.981   5.916
  124   1HB   LYS  20          2HB       LYS  20   5.440  -0.124   7.526
  125   2HB   LYS  20          1HB       LYS  20   6.573   1.043   8.168
  126   1HG   LYS  20          2HG       LYS  20   4.959   2.888   7.432
  127   2HG   LYS  20          1HG       LYS  20   3.832   1.605   7.017
  128   1HD   LYS  20          2HD       LYS  20   3.993   0.712   9.418
  129   2HD   LYS  20          1HD       LYS  20   5.056   2.039   9.815
  130   1HE   LYS  20          2HE       LYS  20   2.857   2.634  10.598
  131   2HE   LYS  20          1HE       LYS  20   3.189   3.641   9.191
  132   1HZ   LYS  20          1HZ       LYS  20   1.439   2.622   8.090
  133   2HZ   LYS  20          2HZ       LYS  20   1.100   1.758   9.528
  134   3HZ   LYS  20          3HZ       LYS  20   2.099   1.136   8.365
  135    H    GLU  21           H        GLU  21   5.833  -1.307   5.653
  136    HA   GLU  21           HA       GLU  21   8.164  -2.805   6.164
  137   1HB   GLU  21          2HB       GLU  21   5.926  -3.427   4.176
  138   2HB   GLU  21          1HB       GLU  21   7.024  -4.602   4.844
  139   1HG   GLU  21          2HG       GLU  21   6.165  -4.294   7.114
  140   2HG   GLU  21          1HG       GLU  21   5.214  -2.900   6.651
  141    H    PHE  22           H        PHE  22   7.468  -0.868   3.436
  142    HA   PHE  22           HA       PHE  22   9.720  -1.994   1.816
  143   1HB   PHE  22          2HB       PHE  22   7.653  -1.498   0.513
  144   2HB   PHE  22          1HB       PHE  22   7.543   0.115   1.197
  145    HD1  PHE  22           HD1      PHE  22   9.674  -2.090  -0.930
  146    HD2  PHE  22           HD2      PHE  22   8.872   1.886   0.345
  147    HE1  PHE  22           HE1      PHE  22  11.237  -1.233  -2.615
  148    HE2  PHE  22           HE2      PHE  22  10.440   2.748  -1.339
  149    HZ   PHE  22           HZ       PHE  22  11.630   1.172  -2.813
  150    H    ILE  23           H        ILE  23   8.652   1.227   2.978
  151    HA   ILE  23           HA       ILE  23  11.059   2.562   2.449
  152    HB   ILE  23           HB       ILE  23   9.041   2.894   4.772
  153   1HG1  ILE  23          2HG1      ILE  23   9.346   4.477   2.167
  154   2HG1  ILE  23          1HG1      ILE  23   8.256   3.124   2.336
  155   1HG2  ILE  23          1HG2      ILE  23  11.157   4.895   3.780
  156   2HG2  ILE  23          2HG2      ILE  23  11.214   4.066   5.320
  157   3HG2  ILE  23          3HG2      ILE  23   9.956   5.236   5.010
  158   1HD1  ILE  23          1HD1      ILE  23   7.024   4.287   4.156
  159   2HD1  ILE  23          2HD1      ILE  23   7.032   5.249   2.690
  160   3HD1  ILE  23          3HD1      ILE  23   8.094   5.674   4.018
  161    H    ALA  24           H        ALA  24  10.327   0.537   5.179
  162    HA   ALA  24           HA       ALA  24  13.056   0.902   6.292
  163   1HB   ALA  24          1HB       ALA  24  12.028  -0.431   8.216
  164   2HB   ALA  24          2HB       ALA  24  10.583  -0.643   7.243
  165   3HB   ALA  24          3HB       ALA  24  11.033   0.957   7.784
  166    H    TRP  25           H        TRP  25  12.781  -0.241   3.780
  167    HA   TRP  25           HA       TRP  25  13.732  -3.084   4.098
  168   1HB   TRP  25          2HB       TRP  25  11.598  -2.815   2.663
  169   2HB   TRP  25          1HB       TRP  25  12.452  -1.741   1.596
  170    HD1  TRP  25           HD1      TRP  25  13.490  -5.075   3.079
  171    HE1  TRP  25           HE1      TRP  25  14.226  -6.497   1.184
  172    HE3  TRP  25           HE3      TRP  25  12.624  -1.907  -0.705
  173    HZ2  TRP  25           HZ2      TRP  25  14.463  -6.389  -1.687
  174    HZ3  TRP  25           HZ3      TRP  25  13.113  -2.551  -3.050
  175    HH2  TRP  25           HH2      TRP  25  14.033  -4.794  -3.553
  176    H    LEU  26           H        LEU  26  14.003  -1.005   1.449
  177    HA   LEU  26           HA       LEU  26  16.573  -1.510   0.529
  178   1HB   LEU  26          2HB       LEU  26  16.064   0.296  -0.971
  179   2HB   LEU  26          1HB       LEU  26  14.548  -0.479  -0.564
  180    HG   LEU  26           HG       LEU  26  15.562   2.149   0.563
  181   1HD1  LEU  26          1HD1      LEU  26  13.602   2.957  -0.738
  182   2HD1  LEU  26          2HD1      LEU  26  13.304   1.308  -1.267
  183   3HD1  LEU  26          3HD1      LEU  26  14.772   2.135  -1.765
  184   1HD2  LEU  26          1HD2      LEU  26  13.293   2.282   1.611
  185   2HD2  LEU  26          2HD2      LEU  26  14.101   0.898   2.266
  186   3HD2  LEU  26          3HD2      LEU  26  12.890   0.695   1.007
  187    H    VAL  27           H        VAL  27  15.963   0.157   3.277
  188    HA   VAL  27           HA       VAL  27  18.637   1.607   3.233
  189    HB   VAL  27           HB       VAL  27  16.157   2.320   4.909
  190   1HG1  VAL  27          1HG1      VAL  27  18.702   3.916   4.322
  191   2HG1  VAL  27          2HG1      VAL  27  18.355   3.195   5.874
  192   3HG1  VAL  27          3HG1      VAL  27  17.349   4.493   5.268
  193   1HG2  VAL  27          1HG2      VAL  27  15.899   4.249   3.369
  194   2HG2  VAL  27          2HG2      VAL  27  15.720   2.732   2.526
  195   3HG2  VAL  27          3HG2      VAL  27  17.215   3.641   2.378
  196    H    LYS  28           H        LYS  28  17.624  -1.115   4.084
  197    HA   LYS  28           HA       LYS  28  19.316  -1.359   6.514
  198   1HB   LYS  28          2HB       LYS  28  16.428  -2.434   6.374
  199   2HB   LYS  28          1HB       LYS  28  17.525  -2.618   7.734
  200   1HG   LYS  28          2HG       LYS  28  17.715  -0.081   7.781
  201   2HG   LYS  28          1HG       LYS  28  16.413  -0.003   6.609
  202   1HD   LYS  28          2HD       LYS  28  14.892  -1.237   8.186
  203   2HD   LYS  28          1HD       LYS  28  16.129  -1.188   9.419
  204   1HE   LYS  28          2HE       LYS  28  14.766   1.208   8.100
  205   2HE   LYS  28          1HE       LYS  28  14.557   0.686   9.768
  206   1HZ   LYS  28          1HZ       LYS  28  16.636   2.325   8.699
  207   2HZ   LYS  28          2HZ       LYS  28  17.323   0.894   9.229
  208   3HZ   LYS  28          3HZ       LYS  28  16.450   1.849  10.321
  209    H    GLY  29           H        GLY  29  17.368  -3.117   4.250
  210   1HA   GLY  29          2HA       GLY  29  18.256  -4.858   2.727
  211   2HA   GLY  29          1HA       GLY  29  19.484  -5.235   3.940
  212    H    ARG  30           HN       ARG  30  15.961  -4.897   4.002
  213    HA   ARG  30           HA       ARG  30  15.825  -7.623   5.286
  214   1HB   ARG  30          2HB       ARG  30  15.386  -5.475   6.610
  215   2HB   ARG  30          1HB       ARG  30  14.001  -5.202   5.590
  216   1HG   ARG  30          2HG       ARG  30  13.702  -7.871   6.581
  217   2HG   ARG  30          1HG       ARG  30  14.282  -6.961   7.963
  218   1HD   ARG  30          2HD       ARG  30  11.782  -6.839   7.855
  219   2HD   ARG  30          1HD       ARG  30  12.506  -5.243   7.526
  220    HE   ARG  30           HE       ARG  30  11.939  -7.223   5.304
  221   1HH1  ARG  30          1HH1      ARG  30  11.365  -4.198   6.520
  222   2HH1  ARG  30          2HH1      ARG  30  10.824  -3.599   4.988
  223   1HH2  ARG  30          1HH2      ARG  30  11.633  -6.525   3.491
  224   2HH2  ARG  30          2HH2      ARG  30  10.849  -4.969   3.252
  Start of MODEL    3
    1   1H    HIS   1          1H        HIS   1 -14.211   2.750   6.671
    2   2H    HIS   1          2H        HIS   1 -14.735   4.324   6.513
    3   3H    HIS   1          3H        HIS   1 -14.936   3.215   5.226
    4    HA   HIS   1           HA       HIS   1 -16.050   1.931   7.374
    5   1HB   HIS   1          2HB       HIS   1 -17.532   3.695   8.465
    6   2HB   HIS   1          1HB       HIS   1 -15.829   3.973   8.786
    7    HD1  HIS   1           HD1      HIS   1 -18.448   5.027   6.372
    8    HD2  HIS   1           HD2      HIS   1 -14.948   6.463   7.930
    9    HE1  HIS   1           HE1      HIS   1 -18.153   7.356   5.491
   10    H    ALA   2           H        ALA   2 -16.178   1.849   4.627
   11    HA   ALA   2           HA       ALA   2 -19.111   1.880   4.046
   12   1HB   ALA   2          1HB       ALA   2 -17.868   3.768   2.804
   13   2HB   ALA   2          2HB       ALA   2 -18.433   2.539   1.689
   14   3HB   ALA   2          3HB       ALA   2 -16.745   2.580   2.159
   15    H    GLU   3           H        GLU   3 -15.945   0.878   3.125
   16    HA   GLU   3           HA       GLU   3 -16.637  -1.872   2.378
   17   1HB   GLU   3          2HB       GLU   3 -13.892  -1.566   2.121
   18   2HB   GLU   3          1HB       GLU   3 -15.023  -1.134   0.869
   19   1HG   GLU   3          2HG       GLU   3 -13.348   0.682   1.241
   20   2HG   GLU   3          1HG       GLU   3 -14.924   1.304   1.585
   21    H    GLY   4           H        GLY   4 -17.305  -1.475   4.794
   22   1HA   GLY   4          2HA       GLY   4 -16.652  -1.647   7.216
   23   2HA   GLY   4          1HA       GLY   4 -16.925  -3.272   6.627
   24    H    THR   5           H        THR   5 -15.223  -4.670   6.575
   25    HA   THR   5           HA       THR   5 -13.170  -4.668   8.356
   26    HB   THR   5           HB       THR   5 -12.882  -5.948   5.590
   27    HG1  THR   5           HG1      THR   5 -14.047  -7.443   7.429
   28   1HG2  THR   5          1HG2      THR   5 -12.366  -6.926   8.472
   29   2HG2  THR   5          2HG2      THR   5 -11.078  -6.333   7.442
   30   3HG2  THR   5          3HG2      THR   5 -11.957  -7.782   6.987
   31    H    PHE   6           H        PHE   6 -12.889  -2.924   5.366
   32    HA   PHE   6           HA       PHE   6 -10.016  -2.413   5.900
   33   1HB   PHE   6          2HB       PHE   6 -11.517  -1.935   3.302
   34   2HB   PHE   6          1HB       PHE   6  -9.797  -2.205   3.501
   35    HD1  PHE   6           HD1      PHE   6  -9.115  -4.531   4.570
   36    HD2  PHE   6           HD2      PHE   6 -12.842  -3.745   2.715
   37    HE1  PHE   6           HE1      PHE   6  -9.445  -6.945   4.235
   38    HE2  PHE   6           HE2      PHE   6 -13.190  -6.161   2.370
   39    HZ   PHE   6           HZ       PHE   6 -11.487  -7.763   3.133
   40    H    THR   7           H        THR   7 -12.801  -1.109   6.253
   41    HA   THR   7           HA       THR   7 -13.710   0.986   6.027
   42    HB   THR   7           HB       THR   7 -13.564   0.007   8.321
   43    HG1  THR   7           HG1      THR   7 -13.334   2.602   8.911
   44   1HG2  THR   7          1HG2      THR   7 -11.077   0.460   8.659
   45   2HG2  THR   7          2HG2      THR   7 -12.089   1.088   9.936
   46   3HG2  THR   7          3HG2      THR   7 -11.427   2.172   8.728
   47    H    SER   8           H        SER   8 -11.198   1.777   4.597
   48    HA   SER   8           HA       SER   8 -10.321   3.849   3.746
   49   1HB   SER   8          2HB       SER   8 -12.584   4.904   4.276
   50   2HB   SER   8          1HB       SER   8 -11.960   5.338   5.882
   51    HG   SER   8           HG       SER   8 -10.106   6.278   4.704
   52    H    ASP   9           H        ASP   9  -9.641   2.302   6.125
   53    HA   ASP   9           HA       ASP   9  -7.470   3.978   7.232
   54   1HB   ASP   9          2HB       ASP   9  -9.328   3.606   8.935
   55   2HB   ASP   9          1HB       ASP   9  -9.335   1.893   8.585
   56    H    VAL  10           H        VAL  10  -8.226   0.787   7.838
   57    HA   VAL  10           HA       VAL  10  -6.070  -0.682   7.279
   58    HB   VAL  10           HB       VAL  10  -9.042  -1.091   6.836
   59   1HG1  VAL  10          1HG1      VAL  10  -8.513  -3.621   6.701
   60   2HG1  VAL  10          2HG1      VAL  10  -6.802  -3.266   6.702
   61   3HG1  VAL  10          3HG1      VAL  10  -7.782  -2.807   5.328
   62   1HG2  VAL  10          1HG2      VAL  10  -7.094  -2.160   8.911
   63   2HG2  VAL  10          2HG2      VAL  10  -8.818  -2.485   8.852
   64   3HG2  VAL  10          3HG2      VAL  10  -8.229  -0.853   9.117
   65    H    SER  11           H        SER  11  -8.471  -0.023   4.823
   66    HA   SER  11           HA       SER  11  -7.502  -1.024   2.479
   67   1HB   SER  11          2HB       SER  11  -8.854   1.696   2.919
   68   2HB   SER  11          1HB       SER  11  -8.695   0.917   1.329
   69    HG   SER  11           HG       SER  11 -10.630   0.298   2.995
   70    H    SER  12           H        SER  12  -6.440   2.031   3.798
   71    HA   SER  12           HA       SER  12  -4.351   2.327   1.694
   72   1HB   SER  12          2HB       SER  12  -4.223   4.707   2.923
   73   2HB   SER  12          1HB       SER  12  -5.598   4.354   1.864
   74    HG   SER  12           HG       SER  12  -5.645   4.585   4.646
   75    H    TYR  13           H        TYR  13  -4.661   2.051   5.152
   76    HA   TYR  13           HA       TYR  13  -1.743   2.369   5.508
   77   1HB   TYR  13          2HB       TYR  13  -3.690   1.550   7.719
   78   2HB   TYR  13          1HB       TYR  13  -2.224   2.497   7.874
   79    HD1  TYR  13           HD1      TYR  13  -5.010   3.080   8.952
   80    HD2  TYR  13           HD2      TYR  13  -2.986   4.393   5.447
   81    HE1  TYR  13           HE1      TYR  13  -6.379   5.116   8.916
   82    HE2  TYR  13           HE2      TYR  13  -4.404   6.450   5.431
   83    HH   TYR  13           HH       TYR  13  -7.129   6.655   6.860
   84    H    LEU  14           H        LEU  14  -4.027  -0.264   6.026
   85    HA   LEU  14           HA       LEU  14  -2.002  -2.143   6.925
   86   1HB   LEU  14          2HB       LEU  14  -4.815  -2.124   6.777
   87   2HB   LEU  14          1HB       LEU  14  -4.394  -3.355   5.608
   88    HG   LEU  14           HG       LEU  14  -3.298  -3.173   8.436
   89   1HD1  LEU  14          1HD1      LEU  14  -4.796  -5.137   8.891
   90   2HD1  LEU  14          2HD1      LEU  14  -5.468  -5.000   7.277
   91   3HD1  LEU  14          3HD1      LEU  14  -5.718  -3.720   8.456
   92   1HD2  LEU  14          1HD2      LEU  14  -3.245  -5.426   6.328
   93   2HD2  LEU  14          2HD2      LEU  14  -2.599  -5.574   7.949
   94   3HD2  LEU  14          3HD2      LEU  14  -1.852  -4.487   6.808
   95    H    GLU  15           H        GLU  15  -3.354  -1.532   3.788
   96    HA   GLU  15           HA       GLU  15  -1.323  -3.445   2.577
   97   1HB   GLU  15          2HB       GLU  15  -3.821  -3.598   1.929
   98   2HB   GLU  15          1HB       GLU  15  -3.672  -2.056   1.134
   99   1HG   GLU  15          2HG       GLU  15  -2.331  -4.702   0.369
  100   2HG   GLU  15          1HG       GLU  15  -3.246  -3.633  -0.654
  101    H    GLY  16           H        GLY  16  -2.777  -0.489   1.475
  102   1HA   GLY  16          2HA       GLY  16  -1.052   0.767  -0.152
  103   2HA   GLY  16          1HA       GLY  16  -1.875   1.702   1.062
  104    H    GLN  17           H        GLN  17  -0.616   0.977   3.280
  105    HA   GLN  17           HA       GLN  17   2.118   2.144   2.892
  106   1HB   GLN  17          2HB       GLN  17   0.040   3.029   4.397
  107   2HB   GLN  17          1HB       GLN  17   0.831   2.035   5.609
  108   1HG   GLN  17          2HG       GLN  17   2.999   3.313   5.198
  109   2HG   GLN  17          1HG       GLN  17   2.177   4.289   4.003
  110   1HE2  GLN  17          1HE2      GLN  17   3.342   4.724   6.861
  111   2HE2  GLN  17          2HE2      GLN  17   2.104   5.657   7.572
  112    H    ALA  18           H        ALA  18   0.889  -0.148   5.418
  113    HA   ALA  18           HA       ALA  18   3.082  -1.199   6.490
  114   1HB   ALA  18          1HB       ALA  18   1.929  -3.416   6.511
  115   2HB   ALA  18          2HB       ALA  18   0.925  -2.840   5.198
  116   3HB   ALA  18          3HB       ALA  18   0.814  -2.085   6.779
  117    H    ALA  19           H        ALA  19   2.369  -2.484   3.215
  118    HA   ALA  19           HA       ALA  19   4.960  -3.966   3.243
  119   1HB   ALA  19          1HB       ALA  19   2.754  -3.655   1.091
  120   2HB   ALA  19          2HB       ALA  19   2.862  -4.960   2.248
  121   3HB   ALA  19          3HB       ALA  19   4.085  -4.797   0.999
  122    H    LYS  20           H        LYS  20   4.461  -0.981   2.809
  123    HA   LYS  20           HA       LYS  20   6.649  -0.450   0.828
  124   1HB   LYS  20          2HB       LYS  20   4.382   1.346   1.983
  125   2HB   LYS  20          1HB       LYS  20   5.644   1.926   0.935
  126   1HG   LYS  20          2HG       LYS  20   3.682   1.583  -0.439
  127   2HG   LYS  20          1HG       LYS  20   4.844   0.341  -0.875
  128   1HD   LYS  20          2HD       LYS  20   3.609  -1.376   0.351
  129   2HD   LYS  20          1HD       LYS  20   2.611  -0.188   1.168
  130   1HE   LYS  20          2HE       LYS  20   1.705   0.420  -1.149
  131   2HE   LYS  20          1HE       LYS  20   2.601  -0.962  -1.773
  132   1HZ   LYS  20          1HZ       LYS  20   0.097  -1.030  -0.422
  133   2HZ   LYS  20          2HZ       LYS  20   1.131  -1.820   0.544
  134   3HZ   LYS  20          3HZ       LYS  20   0.853  -2.311  -0.990
  135    H    GLU  21           H        GLU  21   5.116   0.292   3.916
  136    HA   GLU  21           HA       GLU  21   7.074   1.624   5.370
  137   1HB   GLU  21          2HB       GLU  21   5.097  -0.527   6.197
  138   2HB   GLU  21          1HB       GLU  21   6.184   0.175   7.363
  139   1HG   GLU  21          2HG       GLU  21   4.279   1.816   5.653
  140   2HG   GLU  21          1HG       GLU  21   3.929   1.338   7.304
  141    H    PHE  22           H        PHE  22   6.696  -1.903   5.393
  142    HA   PHE  22           HA       PHE  22   9.417  -2.262   6.422
  143   1HB   PHE  22          2HB       PHE  22   7.182  -3.519   7.062
  144   2HB   PHE  22          1HB       PHE  22   7.562  -4.543   5.685
  145    HD1  PHE  22           HD1      PHE  22  10.816  -4.071   6.350
  146    HD2  PHE  22           HD2      PHE  22   7.383  -5.448   8.477
  147    HE1  PHE  22           HE1      PHE  22  12.240  -5.394   7.786
  148    HE2  PHE  22           HE2      PHE  22   8.841  -6.793   9.938
  149    HZ   PHE  22           HZ       PHE  22  11.281  -6.763   9.593
  150    H    ILE  23           H        ILE  23   9.149  -1.169   4.044
  151    HA   ILE  23           HA       ILE  23  10.708  -2.980   2.340
  152    HB   ILE  23           HB       ILE  23   8.212  -1.749   1.539
  153   1HG1  ILE  23          2HG1      ILE  23  10.499  -2.875  -0.133
  154   2HG1  ILE  23          1HG1      ILE  23   9.240  -3.805   0.659
  155   1HG2  ILE  23          1HG2      ILE  23   9.497   0.478   1.124
  156   2HG2  ILE  23          2HG2      ILE  23   8.867  -0.197  -0.349
  157   3HG2  ILE  23          3HG2      ILE  23  10.563  -0.402   0.042
  158   1HD1  ILE  23          1HD1      ILE  23   8.689  -3.560  -1.738
  159   2HD1  ILE  23          2HD1      ILE  23   8.760  -1.818  -1.615
  160   3HD1  ILE  23          3HD1      ILE  23   7.506  -2.708  -0.767
  161    H    ALA  24           H        ALA  24   9.798   0.172   3.240
  162    HA   ALA  24           HA       ALA  24  12.179   1.709   2.615
  163   1HB   ALA  24          1HB       ALA  24   9.864   2.652   2.651
  164   2HB   ALA  24          2HB       ALA  24  10.852   3.506   3.826
  165   3HB   ALA  24          3HB       ALA  24   9.725   2.266   4.351
  166    H    TRP  25           H        TRP  25  10.811   0.663   5.683
  167    HA   TRP  25           HA       TRP  25  12.292   1.515   7.718
  168   1HB   TRP  25          2HB       TRP  25  11.644  -1.369   7.073
  169   2HB   TRP  25          1HB       TRP  25  12.265  -0.883   8.636
  170    HD1  TRP  25           HD1      TRP  25  10.035   1.882   7.441
  171    HE1  TRP  25           HE1      TRP  25   7.760   1.537   8.515
  172    HE3  TRP  25           HE3      TRP  25  10.642  -2.749   9.195
  173    HZ2  TRP  25           HZ2      TRP  25   6.337  -0.422   9.997
  174    HZ3  TRP  25           HZ3      TRP  25   8.834  -3.896  10.472
  175    HH2  TRP  25           HH2      TRP  25   6.674  -2.740  10.876
  176    H    LEU  26           H        LEU  26  13.529  -1.057   5.763
  177    HA   LEU  26           HA       LEU  26  16.286  -0.561   6.743
  178   1HB   LEU  26          2HB       LEU  26  14.654  -2.832   5.756
  179   2HB   LEU  26          1HB       LEU  26  16.356  -2.986   5.433
  180    HG   LEU  26           HG       LEU  26  15.730  -4.143   7.504
  181   1HD1  LEU  26          1HD1      LEU  26  17.135  -1.517   8.255
  182   2HD1  LEU  26          2HD1      LEU  26  17.921  -2.937   7.595
  183   3HD1  LEU  26          3HD1      LEU  26  17.176  -2.993   9.182
  184   1HD2  LEU  26          1HD2      LEU  26  14.679  -2.962   9.405
  185   2HD2  LEU  26          2HD2      LEU  26  13.684  -2.868   7.962
  186   3HD2  LEU  26          3HD2      LEU  26  14.629  -1.481   8.481
  187    H    VAL  27           H        VAL  27  16.213   1.248   5.547
  188    HA   VAL  27           HA       VAL  27  16.803   2.774   3.948
  189    HB   VAL  27           HB       VAL  27  18.992   2.269   2.873
  190   1HG1  VAL  27          1HG1      VAL  27  18.834   1.039   5.659
  191   2HG1  VAL  27          2HG1      VAL  27  19.004   2.754   5.325
  192   3HG1  VAL  27          3HG1      VAL  27  20.286   1.639   4.883
  193   1HG2  VAL  27          1HG2      VAL  27  18.638  -0.613   3.820
  194   2HG2  VAL  27          2HG2      VAL  27  20.048   0.054   3.033
  195   3HG2  VAL  27          3HG2      VAL  27  18.541  -0.096   2.152
  196    H    LYS  28           H        LYS  28  14.790   0.973   3.246
  197    HA   LYS  28           HA       LYS  28  13.297   0.695   1.401
  198   1HB   LYS  28          2HB       LYS  28  15.398   1.963  -0.193
  199   2HB   LYS  28          1HB       LYS  28  13.691   1.872  -0.541
  200   1HG   LYS  28          2HG       LYS  28  13.207   3.826   0.539
  201   2HG   LYS  28          1HG       LYS  28  13.977   3.254   1.990
  202   1HD   LYS  28          2HD       LYS  28  15.003   5.391   1.079
  203   2HD   LYS  28          1HD       LYS  28  16.158   4.125   1.358
  204   1HE   LYS  28          2HE       LYS  28  14.942   4.482  -1.397
  205   2HE   LYS  28          1HE       LYS  28  16.253   5.533  -0.883
  206   1HZ   LYS  28          1HZ       LYS  28  16.920   2.876  -0.154
  207   2HZ   LYS  28          2HZ       LYS  28  17.726   3.810  -1.286
  208   3HZ   LYS  28          3HZ       LYS  28  16.441   2.796  -1.741
  209    H    GLY  29           H        GLY  29  14.958  -1.229   2.211
  210   1HA   GLY  29          2HA       GLY  29  15.486  -2.844  -0.263
  211   2HA   GLY  29          1HA       GLY  29  16.663  -2.822   1.046
  212    H    ARG  30           HN       ARG  30  15.136  -3.112   3.287
  213    HA   ARG  30           HA       ARG  30  13.553  -5.497   2.789
  214   1HB   ARG  30          2HB       ARG  30  16.188  -5.676   3.438
  215   2HB   ARG  30          1HB       ARG  30  15.517  -5.677   5.044
  216   1HG   ARG  30          2HG       ARG  30  14.831  -7.629   2.773
  217   2HG   ARG  30          1HG       ARG  30  15.731  -8.035   4.219
  218   1HD   ARG  30          2HD       ARG  30  13.622  -8.769   4.941
  219   2HD   ARG  30          1HD       ARG  30  13.551  -7.068   5.389
  220    HE   ARG  30           HE       ARG  30  12.286  -8.154   2.838
  221   1HH1  ARG  30          1HH1      ARG  30  11.592  -6.675   5.629
  222   2HH1  ARG  30          2HH1      ARG  30  10.792  -5.358   4.870
  223   1HH2  ARG  30          1HH2      ARG  30  11.614  -6.056   1.779
  224   2HH2  ARG  30          2HH2      ARG  30  10.788  -5.073   2.963
  Start of MODEL    4
    1   1H    HIS   1          1H        HIS   1 -17.733   2.923   6.102
    2   2H    HIS   1          2H        HIS   1 -18.128   1.567   5.211
    3   3H    HIS   1          3H        HIS   1 -17.690   1.421   6.826
    4    HA   HIS   1           HA       HIS   1 -19.924   1.512   7.316
    5   1HB   HIS   1          2HB       HIS   1 -19.572   4.303   6.021
    6   2HB   HIS   1          1HB       HIS   1 -21.073   3.836   6.788
    7    HD1  HIS   1           HD1      HIS   1 -19.732   6.071   8.056
    8    HD2  HIS   1           HD2      HIS   1 -18.820   2.253   9.201
    9    HE1  HIS   1           HE1      HIS   1 -18.768   6.202  10.336
   10    H    ALA   2           H        ALA   2 -22.119   2.738   5.695
   11    HA   ALA   2           HA       ALA   2 -22.969   0.627   4.149
   12   1HB   ALA   2          1HB       ALA   2 -24.307   2.715   4.609
   13   2HB   ALA   2          2HB       ALA   2 -24.313   2.366   2.891
   14   3HB   ALA   2          3HB       ALA   2 -23.264   3.617   3.521
   15    H    GLU   3           H        GLU   3 -22.844   0.053   1.921
   16    HA   GLU   3           HA       GLU   3 -21.477  -0.686   0.124
   17   1HB   GLU   3          2HB       GLU   3 -22.955   1.369  -0.397
   18   2HB   GLU   3          1HB       GLU   3 -21.475   2.299  -0.369
   19   1HG   GLU   3          2HG       GLU   3 -20.548   1.058  -2.239
   20   2HG   GLU   3          1HG       GLU   3 -21.797  -0.170  -2.155
   21    H    GLY   4           H        GLY   4 -19.818  -0.001   2.524
   22   1HA   GLY   4          2HA       GLY   4 -17.434  -0.570   2.713
   23   2HA   GLY   4          1HA       GLY   4 -17.158   0.147   1.135
   24    H    THR   5           H        THR   5 -17.730   2.429   1.059
   25    HA   THR   5           HA       THR   5 -16.513   4.500   1.597
   26    HB   THR   5           HB       THR   5 -18.129   5.787   3.101
   27    HG1  THR   5           HG1      THR   5 -19.546   3.404   3.229
   28   1HG2  THR   5          1HG2      THR   5 -19.558   3.729   1.319
   29   2HG2  THR   5          2HG2      THR   5 -18.876   5.219   0.732
   30   3HG2  THR   5          3HG2      THR   5 -20.207   5.262   1.871
   31    H    PHE   6           H        PHE   6 -17.524   4.510   4.840
   32    HA   PHE   6           HA       PHE   6 -14.785   5.104   5.728
   33   1HB   PHE   6          2HB       PHE   6 -16.758   6.052   7.008
   34   2HB   PHE   6          1HB       PHE   6 -17.164   4.426   7.551
   35    HD1  PHE   6           HD1      PHE   6 -14.138   6.632   7.330
   36    HD2  PHE   6           HD2      PHE   6 -16.282   3.739   9.595
   37    HE1  PHE   6           HE1      PHE   6 -12.448   6.763   9.104
   38    HE2  PHE   6           HE2      PHE   6 -14.603   3.878  11.365
   39    HZ   PHE   6           HZ       PHE   6 -12.675   5.392  11.121
   40    H    THR   7           H        THR   7 -13.432   3.735   5.585
   41    HA   THR   7           HA       THR   7 -12.757   1.505   7.169
   42    HB   THR   7           HB       THR   7 -14.567   0.210   5.951
   43    HG1  THR   7           HG1      THR   7 -13.125  -1.374   5.646
   44   1HG2  THR   7          1HG2      THR   7 -12.804   0.653   3.493
   45   2HG2  THR   7          2HG2      THR   7 -14.360   1.462   3.678
   46   3HG2  THR   7          3HG2      THR   7 -14.273  -0.291   3.574
   47    H    SER   8           H        SER   8 -12.710   2.986   4.080
   48    HA   SER   8           HA       SER   8 -10.501   2.536   2.677
   49   1HB   SER   8          2HB       SER   8 -10.322   5.048   2.249
   50   2HB   SER   8          1HB       SER   8 -11.993   4.457   2.235
   51    HG   SER   8           HG       SER   8 -10.822   6.153   4.055
   52    H    ASP   9           H        ASP   9 -10.236   4.602   5.445
   53    HA   ASP   9           HA       ASP   9  -7.425   5.066   5.479
   54   1HB   ASP   9          2HB       ASP   9  -8.976   6.588   6.518
   55   2HB   ASP   9          1HB       ASP   9  -9.816   5.318   7.385
   56    H    VAL  10           H        VAL  10  -8.843   3.530   8.166
   57    HA   VAL  10           HA       VAL  10  -6.832   2.042   9.232
   58    HB   VAL  10           HB       VAL  10  -9.295   2.307   9.862
   59   1HG1  VAL  10          1HG1      VAL  10 -10.414   1.246   8.012
   60   2HG1  VAL  10          2HG1      VAL  10 -10.806   0.380   9.478
   61   3HG1  VAL  10          3HG1      VAL  10  -9.655  -0.306   8.347
   62   1HG2  VAL  10          1HG2      VAL  10  -9.229   0.184  11.305
   63   2HG2  VAL  10          2HG2      VAL  10  -7.673   0.994  11.265
   64   3HG2  VAL  10          3HG2      VAL  10  -7.943  -0.433  10.279
   65    H    SER  11           H        SER  11  -8.796   0.895   6.554
   66    HA   SER  11           HA       SER  11  -7.463  -1.661   6.132
   67   1HB   SER  11          2HB       SER  11  -9.692  -1.239   5.146
   68   2HB   SER  11          1HB       SER  11  -9.076   0.148   4.252
   69    HG   SER  11           HG       SER  11  -7.698  -2.332   3.948
   70    H    SER  12           H        SER  12  -7.198   1.355   4.216
   71    HA   SER  12           HA       SER  12  -5.006   0.717   2.609
   72   1HB   SER  12          2HB       SER  12  -6.193   2.933   2.542
   73   2HB   SER  12          1HB       SER  12  -5.408   3.380   4.066
   74    HG   SER  12           HG       SER  12  -4.311   3.374   1.560
   75    H    TYR  13           H        TYR  13  -4.886   1.938   5.846
   76    HA   TYR  13           HA       TYR  13  -2.059   2.006   6.181
   77   1HB   TYR  13          2HB       TYR  13  -3.750   3.093   7.739
   78   2HB   TYR  13          1HB       TYR  13  -4.199   1.494   8.336
   79    HD1  TYR  13           HD1      TYR  13  -2.768   0.332   9.848
   80    HD2  TYR  13           HD2      TYR  13  -1.374   3.838   7.912
   81    HE1  TYR  13           HE1      TYR  13  -0.713   0.277  11.226
   82    HE2  TYR  13           HE2      TYR  13   0.683   3.773   9.302
   83    HH   TYR  13           HH       TYR  13   1.095   2.432  11.863
   84    H    LEU  14           H        LEU  14  -4.148  -0.666   6.334
   85    HA   LEU  14           HA       LEU  14  -2.150  -2.654   7.311
   86   1HB   LEU  14          2HB       LEU  14  -5.157  -2.447   7.036
   87   2HB   LEU  14          1HB       LEU  14  -4.515  -4.036   6.783
   88    HG   LEU  14           HG       LEU  14  -3.516  -4.058   9.047
   89   1HD1  LEU  14          1HD1      LEU  14  -4.702  -1.256   9.275
   90   2HD1  LEU  14          2HD1      LEU  14  -2.987  -1.618   9.184
   91   3HD1  LEU  14          3HD1      LEU  14  -3.919  -2.132  10.581
   92   1HD2  LEU  14          1HD2      LEU  14  -6.362  -2.971   9.010
   93   2HD2  LEU  14          2HD2      LEU  14  -5.662  -3.905  10.325
   94   3HD2  LEU  14          3HD2      LEU  14  -5.923  -4.648   8.753
   95    H    GLU  15           H        GLU  15  -4.424  -2.555   4.494
   96    HA   GLU  15           HA       GLU  15  -3.079  -4.577   3.017
   97   1HB   GLU  15          2HB       GLU  15  -4.043  -2.098   1.527
   98   2HB   GLU  15          1HB       GLU  15  -4.244  -3.789   1.117
   99   1HG   GLU  15          2HG       GLU  15  -5.943  -2.108   2.948
  100   2HG   GLU  15          1HG       GLU  15  -6.438  -3.269   1.754
  101    H    GLY  16           H        GLY  16  -2.605  -1.223   3.328
  102   1HA   GLY  16          2HA       GLY  16  -0.358  -0.620   1.674
  103   2HA   GLY  16          1HA       GLY  16  -0.757   0.286   3.131
  104    H    GLN  17           H        GLN  17  -0.495  -2.013   4.828
  105    HA   GLN  17           HA       GLN  17   2.097  -1.870   5.904
  106   1HB   GLN  17          2HB       GLN  17   0.151  -3.237   6.843
  107   2HB   GLN  17          1HB       GLN  17   0.482  -4.464   5.652
  108   1HG   GLN  17          2HG       GLN  17   1.769  -5.337   7.429
  109   2HG   GLN  17          1HG       GLN  17   3.008  -4.332   6.711
  110   1HE2  GLN  17          1HE2      GLN  17   2.232  -5.174   9.611
  111   2HE2  GLN  17          2HE2      GLN  17   2.371  -3.684  10.422
  112    H    ALA  18           H        ALA  18   0.994  -4.158   3.650
  113    HA   ALA  18           HA       ALA  18   3.240  -5.644   2.892
  114   1HB   ALA  18          1HB       ALA  18   0.906  -6.003   2.036
  115   2HB   ALA  18          2HB       ALA  18   2.027  -5.929   0.687
  116   3HB   ALA  18          3HB       ALA  18   1.023  -4.543   1.079
  117    H    ALA  19           H        ALA  19   2.423  -2.507   1.698
  118    HA   ALA  19           HA       ALA  19   4.847  -2.274   0.010
  119   1HB   ALA  19          1HB       ALA  19   2.627  -1.354  -0.722
  120   2HB   ALA  19          2HB       ALA  19   3.788  -0.045  -0.567
  121   3HB   ALA  19          3HB       ALA  19   2.584  -0.306   0.685
  122    H    LYS  20           H        LYS  20   3.520  -0.655   2.803
  123    HA   LYS  20           HA       LYS  20   5.400   1.207   3.609
  124   1HB   LYS  20          2HB       LYS  20   3.896  -0.863   5.261
  125   2HB   LYS  20          1HB       LYS  20   4.862   0.382   6.024
  126   1HG   LYS  20          2HG       LYS  20   3.447   2.173   5.108
  127   2HG   LYS  20          1HG       LYS  20   2.661   1.070   4.011
  128   1HD   LYS  20          2HD       LYS  20   1.266   1.724   6.091
  129   2HD   LYS  20          1HD       LYS  20   1.352   0.024   5.764
  130   1HE   LYS  20          2HE       LYS  20   3.251  -0.116   7.473
  131   2HE   LYS  20          1HE       LYS  20   2.941   1.572   7.847
  132   1HZ   LYS  20          1HZ       LYS  20   0.437   0.177   7.874
  133   2HZ   LYS  20          2HZ       LYS  20   1.295   0.827   9.216
  134   3HZ   LYS  20          3HZ       LYS  20   1.574  -0.733   8.670
  135    H    GLU  21           H        GLU  21   5.638  -2.187   4.367
  136    HA   GLU  21           HA       GLU  21   8.121  -2.318   5.682
  137   1HB   GLU  21          2HB       GLU  21   6.575  -4.158   5.547
  138   2HB   GLU  21          1HB       GLU  21   6.668  -4.226   3.803
  139   1HG   GLU  21          2HG       GLU  21   8.000  -6.047   5.054
  140   2HG   GLU  21          1HG       GLU  21   8.939  -5.139   3.898
  141    H    PHE  22           H        PHE  22   7.673  -2.626   2.190
  142    HA   PHE  22           HA       PHE  22  10.466  -2.792   1.488
  143   1HB   PHE  22          2HB       PHE  22   8.600  -3.548  -0.011
  144   2HB   PHE  22          1HB       PHE  22   8.028  -1.897  -0.155
  145    HD1  PHE  22           HD1      PHE  22   9.722  -0.150  -1.132
  146    HD2  PHE  22           HD2      PHE  22  10.226  -4.349  -1.475
  147    HE1  PHE  22           HE1      PHE  22  11.281   0.196  -3.000
  148    HE2  PHE  22           HE2      PHE  22  11.781  -4.012  -3.346
  149    HZ   PHE  22           HZ       PHE  22  12.314  -1.739  -4.111
  150    H    ILE  23           H        ILE  23   8.097  -0.301   1.570
  151    HA   ILE  23           HA       ILE  23   9.702   1.849   0.762
  152    HB   ILE  23           HB       ILE  23   7.239   1.759   2.604
  153   1HG1  ILE  23          2HG1      ILE  23   7.512   2.448  -0.367
  154   2HG1  ILE  23          1HG1      ILE  23   7.061   0.859   0.201
  155   1HG2  ILE  23          1HG2      ILE  23   8.447   3.952   2.855
  156   2HG2  ILE  23          2HG2      ILE  23   6.924   4.187   2.039
  157   3HG2  ILE  23          3HG2      ILE  23   8.418   4.167   1.118
  158   1HD1  ILE  23          1HD1      ILE  23   5.033   1.825   1.321
  159   2HD1  ILE  23          2HD1      ILE  23   5.029   2.149  -0.404
  160   3HD1  ILE  23          3HD1      ILE  23   5.459   3.418   0.721
  161    H    ALA  24           H        ALA  24   9.855   0.115   3.556
  162    HA   ALA  24           HA       ALA  24  11.400   2.166   5.091
  163   1HB   ALA  24          1HB       ALA  24  10.203  -0.547   5.915
  164   2HB   ALA  24          2HB       ALA  24   9.460   1.013   6.177
  165   3HB   ALA  24          3HB       ALA  24  10.944   0.621   7.017
  166    H    TRP  25           H        TRP  25  11.726  -1.022   3.622
  167    HA   TRP  25           HA       TRP  25  14.069  -2.184   4.357
  168   1HB   TRP  25          2HB       TRP  25  13.235  -1.510   1.496
  169   2HB   TRP  25          1HB       TRP  25  14.618  -2.525   1.838
  170    HD1  TRP  25           HD1      TRP  25  11.975  -3.163   4.389
  171    HE1  TRP  25           HE1      TRP  25  10.793  -5.253   3.731
  172    HE3  TRP  25           HE3      TRP  25  13.721  -3.650  -0.248
  173    HZ2  TRP  25           HZ2      TRP  25  10.541  -7.035   1.447
  174    HZ3  TRP  25           HZ3      TRP  25  13.036  -5.533  -1.717
  175    HH2  TRP  25           HH2      TRP  25  11.439  -7.238  -0.873
  176    H    LEU  26           H        LEU  26  14.289   0.196   1.961
  177    HA   LEU  26           HA       LEU  26  16.985   0.690   1.639
  178   1HB   LEU  26          2HB       LEU  26  16.278   2.566   0.415
  179   2HB   LEU  26          1HB       LEU  26  14.898   1.503   0.385
  180    HG   LEU  26           HG       LEU  26  15.227   3.949   2.159
  181   1HD1  LEU  26          1HD1      LEU  26  14.735   4.407  -0.218
  182   2HD1  LEU  26          2HD1      LEU  26  13.339   4.774   0.781
  183   3HD1  LEU  26          3HD1      LEU  26  13.371   3.299  -0.163
  184   1HD2  LEU  26          1HD2      LEU  26  12.856   2.029   1.855
  185   2HD2  LEU  26          2HD2      LEU  26  12.875   3.503   2.806
  186   3HD2  LEU  26          3HD2      LEU  26  13.881   2.164   3.273
  187    H    VAL  27           H        VAL  27  15.296   1.569   4.416
  188    HA   VAL  27           HA       VAL  27  17.565   3.263   5.437
  189    HB   VAL  27           HB       VAL  27  14.604   3.226   6.305
  190   1HG1  VAL  27          1HG1      VAL  27  16.960   4.965   7.219
  191   2HG1  VAL  27          2HG1      VAL  27  16.219   3.714   8.190
  192   3HG1  VAL  27          3HG1      VAL  27  15.304   5.150   7.769
  193   1HG2  VAL  27          1HG2      VAL  27  14.592   5.558   5.430
  194   2HG2  VAL  27          2HG2      VAL  27  14.995   4.426   4.158
  195   3HG2  VAL  27          3HG2      VAL  27  16.262   5.377   4.911
  196    H    LYS  28           H        LYS  28  15.207   0.831   6.225
  197    HA   LYS  28           HA       LYS  28  16.050   0.037   8.816
  198   1HB   LYS  28          2HB       LYS  28  14.942  -1.625   6.508
  199   2HB   LYS  28          1HB       LYS  28  15.143  -2.268   8.130
  200   1HG   LYS  28          2HG       LYS  28  13.553  -0.563   9.022
  201   2HG   LYS  28          1HG       LYS  28  13.434   0.184   7.449
  202   1HD   LYS  28          2HD       LYS  28  11.458  -1.301   7.744
  203   2HD   LYS  28          1HD       LYS  28  12.471  -1.959   6.487
  204   1HE   LYS  28          2HE       LYS  28  13.412  -3.573   8.171
  205   2HE   LYS  28          1HE       LYS  28  12.312  -2.905   9.377
  206   1HZ   LYS  28          1HZ       LYS  28  11.624  -4.780   7.267
  207   2HZ   LYS  28          2HZ       LYS  28  10.846  -3.440   6.961
  208   3HZ   LYS  28          3HZ       LYS  28  10.550  -4.144   8.359
  209    H    GLY  29           H        GLY  29  17.201  -1.121   5.780
  210   1HA   GLY  29          2HA       GLY  29  19.781  -2.034   6.991
  211   2HA   GLY  29          1HA       GLY  29  18.880  -3.187   6.025
  212    H    ARG  30           HN       ARG  30  18.068  -1.152   4.198
  213    HA   ARG  30           HA       ARG  30  19.044   0.449   2.591
  214   1HB   ARG  30          2HB       ARG  30  21.388  -0.008   3.095
  215   2HB   ARG  30          1HB       ARG  30  21.285  -1.678   2.693
  216   1HG   ARG  30          2HG       ARG  30  20.582  -0.385   0.267
  217   2HG   ARG  30          1HG       ARG  30  21.757   0.682   0.965
  218   1HD   ARG  30          2HD       ARG  30  23.004  -0.949  -0.413
  219   2HD   ARG  30          1HD       ARG  30  23.352  -1.272   1.282
  220    HE   ARG  30           HE       ARG  30  22.600  -3.478   0.048
  221   1HH1  ARG  30          1HH2      ARG  30  20.211  -2.324  -1.061
  222   2HH1  ARG  30          2HH2      ARG  30  19.009  -2.811   0.082
  223   1HH2  ARG  30          1HH1      ARG  30  21.287  -3.799   2.357
  224   2HH2  ARG  30          2HH1      ARG  30  19.606  -3.690   1.919
  Start of MODEL    5
    1   1H    HIS   1          1H        HIS   1 -18.157   3.970  16.206
    2   2H    HIS   1          2H        HIS   1 -18.516   2.342  16.463
    3   3H    HIS   1          3H        HIS   1 -18.954   3.145  15.016
    4    HA   HIS   1           HA       HIS   1 -16.167   3.451  15.390
    5   1HB   HIS   1          2HB       HIS   1 -16.982   0.486  15.355
    6   2HB   HIS   1          1HB       HIS   1 -15.375   1.150  15.578
    7    HD1  HIS   1           HD1      HIS   1 -15.340   2.829  17.840
    8    HD2  HIS   1           HD2      HIS   1 -18.180  -0.112  17.718
    9    HE1  HIS   1           HE1      HIS   1 -16.150   2.511  20.165
   10    H    ALA   2           H        ALA   2 -17.869   4.305  13.619
   11    HA   ALA   2           HA       ALA   2 -17.055   3.177  11.003
   12   1HB   ALA   2          1HB       ALA   2 -19.896   4.027  11.851
   13   2HB   ALA   2          2HB       ALA   2 -19.392   2.369  11.554
   14   3HB   ALA   2          3HB       ALA   2 -19.444   3.522  10.229
   15    H    GLU   3           H        GLU   3 -18.735   5.654  12.709
   16    HA   GLU   3           HA       GLU   3 -19.023   7.972  11.803
   17   1HB   GLU   3          2HB       GLU   3 -16.836   7.753  13.920
   18   2HB   GLU   3          1HB       GLU   3 -17.972   9.065  13.719
   19   1HG   GLU   3          2HG       GLU   3 -18.798   7.732  15.589
   20   2HG   GLU   3          1HG       GLU   3 -19.864   7.340  14.264
   21    H    GLY   4           H        GLY   4 -15.632   7.296  12.223
   22   1HA   GLY   4          2HA       GLY   4 -14.791   9.573  10.512
   23   2HA   GLY   4          1HA       GLY   4 -13.702   8.450  11.305
   24    H    THR   5           H        THR   5 -16.205   8.161   8.902
   25    HA   THR   5           HA       THR   5 -16.197   7.271   6.678
   26    HB   THR   5           HB       THR   5 -13.141   7.615   6.782
   27    HG1  THR   5           HG1      THR   5 -15.161   9.300   6.979
   28   1HG2  THR   5          1HG2      THR   5 -13.442   7.958   4.382
   29   2HG2  THR   5          2HG2      THR   5 -15.179   7.807   4.506
   30   3HG2  THR   5          3HG2      THR   5 -14.159   6.391   4.709
   31    H    PHE   6           H        PHE   6 -13.965   5.650   8.789
   32    HA   PHE   6           HA       PHE   6 -13.124   3.428   8.768
   33   1HB   PHE   6          2HB       PHE   6 -15.222   3.158   9.915
   34   2HB   PHE   6          1HB       PHE   6 -16.161   3.290   8.440
   35    HD1  PHE   6           HD1      PHE   6 -13.154   1.169   9.287
   36    HD2  PHE   6           HD2      PHE   6 -17.258   1.241   8.150
   37    HE1  PHE   6           HE1      PHE   6 -13.124  -1.251   9.058
   38    HE2  PHE   6           HE2      PHE   6 -17.230  -1.203   7.919
   39    HZ   PHE   6           HZ       PHE   6 -15.161  -2.458   8.373
   40    H    THR   7           H        THR   7 -15.450   2.134   6.588
   41    HA   THR   7           HA       THR   7 -14.503   0.524   4.842
   42    HB   THR   7           HB       THR   7 -15.243   1.799   2.738
   43    HG1  THR   7           HG1      THR   7 -15.379   3.949   4.644
   44   1HG2  THR   7          1HG2      THR   7 -17.092   1.107   4.424
   45   2HG2  THR   7          2HG2      THR   7 -17.433   2.559   3.493
   46   3HG2  THR   7          3HG2      THR   7 -16.904   2.696   5.156
   47    H    SER   8           H        SER   8 -13.306   3.586   3.708
   48    HA   SER   8           HA       SER   8 -11.231   2.919   2.076
   49   1HB   SER   8          2HB       SER   8 -11.096   5.030   4.267
   50   2HB   SER   8          1HB       SER   8  -9.966   4.955   2.896
   51    HG   SER   8           HG       SER   8 -11.591   5.868   1.753
   52    H    ASP   9           H        ASP   9 -10.971   2.815   5.537
   53    HA   ASP   9           HA       ASP   9  -8.452   2.391   6.313
   54   1HB   ASP   9          2HB       ASP   9 -10.460   2.103   7.769
   55   2HB   ASP   9          1HB       ASP   9 -10.775   0.535   7.035
   56    H    VAL  10           H        VAL  10 -10.290  -0.096   4.767
   57    HA   VAL  10           HA       VAL  10  -8.804  -2.367   4.646
   58    HB   VAL  10           HB       VAL  10 -10.294  -0.864   2.437
   59   1HG1  VAL  10          1HG1      VAL  10 -10.252  -3.037   1.130
   60   2HG1  VAL  10          2HG1      VAL  10  -9.230  -3.768   2.359
   61   3HG1  VAL  10          3HG1      VAL  10  -8.605  -2.483   1.346
   62   1HG2  VAL  10          1HG2      VAL  10 -11.546  -1.763   4.369
   63   2HG2  VAL  10          2HG2      VAL  10 -10.890  -3.363   4.081
   64   3HG2  VAL  10          3HG2      VAL  10 -11.971  -2.630   2.905
   65    H    SER  11           H        SER  11  -7.940   0.489   2.852
   66    HA   SER  11           HA       SER  11  -5.401  -0.709   1.826
   67   1HB   SER  11          2HB       SER  11  -6.612   2.117   1.563
   68   2HB   SER  11          1HB       SER  11  -5.029   1.687   0.911
   69    HG   SER  11           HG       SER  11  -6.075   0.811  -0.677
   70    H    SER  12           H        SER  12  -6.037   2.362   3.461
   71    HA   SER  12           HA       SER  12  -3.791   3.093   4.748
   72   1HB   SER  12          2HB       SER  12  -6.550   2.977   5.979
   73   2HB   SER  12          1HB       SER  12  -5.225   3.979   6.590
   74    HG   SER  12           HG       SER  12  -5.157   4.339   3.972
   75    H    TYR  13           H        TYR  13  -5.642   0.429   5.940
   76    HA   TYR  13           HA       TYR  13  -4.171  -0.053   8.366
   77   1HB   TYR  13          2HB       TYR  13  -6.509  -0.818   7.711
   78   2HB   TYR  13          1HB       TYR  13  -5.823  -1.953   6.582
   79    HD1  TYR  13           HD1      TYR  13  -3.765  -3.434   7.884
   80    HD2  TYR  13           HD2      TYR  13  -7.250  -1.715   9.622
   81    HE1  TYR  13           HE1      TYR  13  -3.645  -5.047   9.712
   82    HE2  TYR  13           HE2      TYR  13  -7.113  -3.360  11.463
   83    HH   TYR  13           HH       TYR  13  -4.414  -5.574  11.687
   84    H    LEU  14           H        LEU  14  -4.112  -1.943   5.369
   85    HA   LEU  14           HA       LEU  14  -1.581  -3.263   5.904
   86   1HB   LEU  14          2HB       LEU  14  -3.035  -2.732   3.251
   87   2HB   LEU  14          1HB       LEU  14  -1.752  -3.910   3.451
   88    HG   LEU  14           HG       LEU  14  -4.452  -3.991   4.904
   89   1HD1  LEU  14          1HD1      LEU  14  -4.862  -5.916   3.406
   90   2HD1  LEU  14          2HD1      LEU  14  -3.316  -5.661   2.615
   91   3HD1  LEU  14          3HD1      LEU  14  -4.591  -4.459   2.474
   92   1HD2  LEU  14          1HD2      LEU  14  -2.163  -6.021   4.749
   93   2HD2  LEU  14          2HD2      LEU  14  -3.700  -6.268   5.557
   94   3HD2  LEU  14          3HD2      LEU  14  -2.574  -5.092   6.184
   95    H    GLU  15           H        GLU  15  -2.457  -0.542   4.042
   96    HA   GLU  15           HA       GLU  15  -0.065   0.387   2.856
   97   1HB   GLU  15          2HB       GLU  15  -2.422   0.952   2.402
   98   2HB   GLU  15          1HB       GLU  15  -2.581   1.617   4.000
   99   1HG   GLU  15          2HG       GLU  15  -1.427   3.646   3.400
  100   2HG   GLU  15          1HG       GLU  15  -0.885   2.957   1.871
  101    H    GLY  16           H        GLY  16  -1.493   1.093   5.940
  102   1HA   GLY  16          2HA       GLY  16   0.479   2.775   7.157
  103   2HA   GLY  16          1HA       GLY  16  -0.613   1.721   8.077
  104    H    GLN  17           H        GLN  17   0.035  -0.697   7.474
  105    HA   GLN  17           HA       GLN  17   2.416  -1.355   8.896
  106   1HB   GLN  17          2HB       GLN  17   1.220  -2.955   6.571
  107   2HB   GLN  17          1HB       GLN  17   2.299  -3.583   7.784
  108   1HG   GLN  17          2HG       GLN  17   0.584  -3.291   9.568
  109   2HG   GLN  17          1HG       GLN  17  -0.477  -2.413   8.499
  110   1HE2  GLN  17          1HE2      GLN  17   0.884  -5.021   6.802
  111   2HE2  GLN  17          2HE2      GLN  17  -0.438  -6.078   7.056
  112    H    ALA  18           H        ALA  18   2.026  -1.400   5.407
  113    HA   ALA  18           HA       ALA  18   4.636  -1.760   4.542
  114   1HB   ALA  18          1HB       ALA  18   2.493   0.103   3.346
  115   2HB   ALA  18          2HB       ALA  18   2.642  -1.620   3.062
  116   3HB   ALA  18          3HB       ALA  18   3.871  -0.524   2.455
  117    H    ALA  19           H        ALA  19   3.189   1.371   5.219
  118    HA   ALA  19           HA       ALA  19   5.435   3.040   4.835
  119   1HB   ALA  19          1HB       ALA  19   4.161   4.623   6.366
  120   2HB   ALA  19          2HB       ALA  19   3.155   3.282   6.891
  121   3HB   ALA  19          3HB       ALA  19   3.068   3.837   5.232
  122    H    LYS  20           H        LYS  20   4.778   0.938   7.455
  123    HA   LYS  20           HA       LYS  20   7.019   1.928   9.025
  124   1HB   LYS  20          2HB       LYS  20   4.757   1.455  10.014
  125   2HB   LYS  20          1HB       LYS  20   4.923  -0.213   9.551
  126   1HG   LYS  20          2HG       LYS  20   5.434   0.057  11.927
  127   2HG   LYS  20          1HG       LYS  20   6.830  -0.525  11.055
  128   1HD   LYS  20          2HD       LYS  20   6.413   2.464  11.305
  129   2HD   LYS  20          1HD       LYS  20   6.870   1.678  12.789
  130   1HE   LYS  20          2HE       LYS  20   8.516   2.014  10.204
  131   2HE   LYS  20          1HE       LYS  20   8.888   2.555  11.818
  132   1HZ   LYS  20          1HZ       LYS  20   9.938   0.553  12.135
  133   2HZ   LYS  20          2HZ       LYS  20   9.350   0.025  10.618
  134   3HZ   LYS  20          3HZ       LYS  20   8.413  -0.191  11.995
  135    H    GLU  21           H        GLU  21   6.201  -0.964   7.266
  136    HA   GLU  21           HA       GLU  21   8.929  -2.128   7.796
  137   1HB   GLU  21          2HB       GLU  21   7.808  -4.020   8.383
  138   2HB   GLU  21          1HB       GLU  21   6.293  -3.199   8.112
  139   1HG   GLU  21          2HG       GLU  21   7.748  -4.611   5.807
  140   2HG   GLU  21          1HG       GLU  21   6.604  -5.418   6.839
  141    H    PHE  22           H        PHE  22   6.604  -1.841   5.100
  142    HA   PHE  22           HA       PHE  22   8.232  -2.904   3.025
  143   1HB   PHE  22          2HB       PHE  22   5.760  -2.272   2.914
  144   2HB   PHE  22          1HB       PHE  22   6.215  -0.581   2.845
  145    HD1  PHE  22           HD1      PHE  22   6.990  -3.810   1.175
  146    HD2  PHE  22           HD2      PHE  22   6.352   0.357   0.703
  147    HE1  PHE  22           HE1      PHE  22   7.188  -4.064  -1.266
  148    HE2  PHE  22           HE2      PHE  22   6.541   0.118  -1.740
  149    HZ   PHE  22           HZ       PHE  22   6.961  -2.097  -2.726
  150    H    ILE  23           H        ILE  23   7.831   0.209   4.382
  151    HA   ILE  23           HA       ILE  23   9.480   1.798   2.915
  152    HB   ILE  23           HB       ILE  23   8.144   2.576   4.912
  153   1HG1  ILE  23          2HG1      ILE  23   9.784   4.150   5.948
  154   2HG1  ILE  23          1HG1      ILE  23  11.104   3.286   5.187
  155   1HG2  ILE  23          1HG2      ILE  23  10.372   1.356   6.625
  156   2HG2  ILE  23          2HG2      ILE  23   8.752   0.689   6.425
  157   3HG2  ILE  23          3HG2      ILE  23   8.987   2.252   7.188
  158   1HD1  ILE  23          1HD1      ILE  23   8.824   4.698   3.702
  159   2HD1  ILE  23          2HD1      ILE  23  10.146   3.844   2.917
  160   3HD1  ILE  23          3HD1      ILE  23  10.465   5.292   3.845
  161    H    ALA  24           H        ALA  24  10.491  -0.252   5.513
  162    HA   ALA  24           HA       ALA  24  13.333   0.217   5.414
  163   1HB   ALA  24          1HB       ALA  24  11.750  -2.230   6.387
  164   2HB   ALA  24          2HB       ALA  24  12.131  -0.821   7.362
  165   3HB   ALA  24          3HB       ALA  24  13.418  -1.883   6.812
  166    H    TRP  25           H        TRP  25  11.284  -2.222   4.072
  167    HA   TRP  25           HA       TRP  25  13.085  -3.860   2.680
  168   1HB   TRP  25          2HB       TRP  25  10.366  -3.870   2.750
  169   2HB   TRP  25          1HB       TRP  25  10.520  -3.062   1.204
  170    HD1  TRP  25           HD1      TRP  25  11.549  -6.160   3.068
  171    HE1  TRP  25           HE1      TRP  25  12.103  -7.996   1.349
  172    HE3  TRP  25           HE3      TRP  25  11.111  -3.518  -1.032
  173    HZ2  TRP  25           HZ2      TRP  25  12.361  -8.281  -1.509
  174    HZ3  TRP  25           HZ3      TRP  25  11.517  -4.477  -3.311
  175    HH2  TRP  25           HH2      TRP  25  12.140  -6.862  -3.538
  176    H    LEU  26           H        LEU  26  11.915  -0.756   1.778
  177    HA   LEU  26           HA       LEU  26  13.717  -0.670  -0.634
  178   1HB   LEU  26          2HB       LEU  26  11.247   0.922   0.121
  179   2HB   LEU  26          1HB       LEU  26  12.103   1.087  -1.400
  180    HG   LEU  26           HG       LEU  26  10.839  -1.500  -0.349
  181   1HD1  LEU  26          1HD1      LEU  26   9.175   0.093  -0.954
  182   2HD1  LEU  26          2HD1      LEU  26   9.232  -1.220  -2.113
  183   3HD1  LEU  26          3HD1      LEU  26   9.921   0.345  -2.534
  184   1HD2  LEU  26          1HD2      LEU  26  12.117  -0.824  -3.047
  185   2HD2  LEU  26          2HD2      LEU  26  11.271  -2.314  -2.694
  186   3HD2  LEU  26          3HD2      LEU  26  12.776  -1.956  -1.875
  187    H    VAL  27           H        VAL  27  14.646  -0.301   1.923
  188    HA   VAL  27           HA       VAL  27  16.012   2.334   1.721
  189    HB   VAL  27           HB       VAL  27  14.714   0.978   4.132
  190   1HG1  VAL  27          1HG1      VAL  27  16.856   3.186   4.285
  191   2HG1  VAL  27          2HG1      VAL  27  17.090   1.534   4.828
  192   3HG1  VAL  27          3HG1      VAL  27  15.925   2.559   5.630
  193   1HG2  VAL  27          1HG2      VAL  27  13.496   2.759   2.870
  194   2HG2  VAL  27          2HG2      VAL  27  14.779   3.889   3.171
  195   3HG2  VAL  27          3HG2      VAL  27  13.832   3.265   4.509
  196    H    LYS  28           H        LYS  28  16.027  -0.852   3.121
  197    HA   LYS  28           HA       LYS  28  18.391  -1.590   4.044
  198   1HB   LYS  28          2HB       LYS  28  18.197  -3.769   2.870
  199   2HB   LYS  28          1HB       LYS  28  16.634  -3.199   3.399
  200   1HG   LYS  28          2HG       LYS  28  16.227  -2.323   1.019
  201   2HG   LYS  28          1HG       LYS  28  17.743  -3.087   0.541
  202   1HD   LYS  28          2HD       LYS  28  16.868  -5.314   1.346
  203   2HD   LYS  28          1HD       LYS  28  15.343  -4.558   1.742
  204   1HE   LYS  28          2HE       LYS  28  15.965  -3.864  -1.003
  205   2HE   LYS  28          1HE       LYS  28  16.261  -5.586  -0.830
  206   1HZ   LYS  28          1HZ       LYS  28  13.856  -4.949   0.548
  207   2HZ   LYS  28          2HZ       LYS  28  13.942  -5.871  -0.862
  208   3HZ   LYS  28          3HZ       LYS  28  13.758  -4.201  -0.886
  209    H    GLY  29           H        GLY  29  18.231  -1.226   0.581
  210   1HA   GLY  29          2HA       GLY  29  21.162  -0.581   0.437
  211   2HA   GLY  29          1HA       GLY  29  20.520  -1.807  -0.647
  212    H    ARG  30           HN       ARG  30  19.206   1.245   0.377
  213    HA   ARG  30           HA       ARG  30  19.306   2.303  -2.430
  214   1HB   ARG  30          2HB       ARG  30  17.082   1.503  -1.901
  215   2HB   ARG  30          1HB       ARG  30  17.085   2.239  -0.325
  216   1HG   ARG  30          2HG       ARG  30  17.416   4.191  -2.552
  217   2HG   ARG  30          1HG       ARG  30  15.906   3.316  -2.635
  218   1HD   ARG  30          2HD       ARG  30  15.762   5.456  -1.293
  219   2HD   ARG  30          1HD       ARG  30  15.304   4.024  -0.354
  220    HE   ARG  30           HE       ARG  30  18.125   5.181  -0.296
  221   1HH1  ARG  30          1HH1      ARG  30  15.949   5.785   1.555
  222   2HH1  ARG  30          2HH1      ARG  30  16.482   4.951   2.999
  223   1HH2  ARG  30          1HH2      ARG  30  18.644   3.287   0.895
  224   2HH2  ARG  30          2HH2      ARG  30  18.236   3.270   2.552
  Start of MODEL    6
    1   1H    HIS   1          1H        HIS   1 -21.208   0.800  14.368
    2   2H    HIS   1          2H        HIS   1 -21.213  -0.839  14.572
    3   3H    HIS   1          3H        HIS   1 -22.370   0.095  15.393
    4    HA   HIS   1           HA       HIS   1 -22.616  -1.161  12.898
    5   1HB   HIS   1          2HB       HIS   1 -24.449   0.971  14.148
    6   2HB   HIS   1          1HB       HIS   1 -24.917  -0.338  13.079
    7    HD1  HIS   1           HD1      HIS   1 -26.234  -0.271  15.713
    8    HD2  HIS   1           HD2      HIS   1 -22.761  -2.375  15.210
    9    HE1  HIS   1           HE1      HIS   1 -26.138  -1.971  17.526
   10    H    ALA   2           H        ALA   2 -20.590   0.348  12.404
   11    HA   ALA   2           HA       ALA   2 -21.228   1.997  10.074
   12   1HB   ALA   2          1HB       ALA   2 -19.529   2.965  12.490
   13   2HB   ALA   2          2HB       ALA   2 -21.102   3.616  12.054
   14   3HB   ALA   2          3HB       ALA   2 -19.731   3.850  10.988
   15    H    GLU   3           H        GLU   3 -18.627   1.182  12.274
   16    HA   GLU   3           HA       GLU   3 -16.433   0.646  10.771
   17   1HB   GLU   3          2HB       GLU   3 -15.825  -0.973  12.555
   18   2HB   GLU   3          1HB       GLU   3 -16.614   0.421  13.240
   19   1HG   GLU   3          2HG       GLU   3 -17.921  -2.343  12.826
   20   2HG   GLU   3          1HG       GLU   3 -17.517  -1.597  14.344
   21    H    GLY   4           H        GLY   4 -18.980  -1.630  11.235
   22   1HA   GLY   4          2HA       GLY   4 -18.467  -3.980  10.044
   23   2HA   GLY   4          1HA       GLY   4 -19.952  -3.165   9.627
   24    H    THR   5           H        THR   5 -18.798  -1.151   7.926
   25    HA   THR   5           HA       THR   5 -18.068  -2.922   5.591
   26    HB   THR   5           HB       THR   5 -18.969  -1.077   4.119
   27    HG1  THR   5           HG1      THR   5 -18.879   0.766   5.214
   28   1HG2  THR   5          1HG2      THR   5 -20.805  -1.480   6.530
   29   2HG2  THR   5          2HG2      THR   5 -20.690  -2.688   5.256
   30   3HG2  THR   5          3HG2      THR   5 -21.296  -1.071   4.899
   31    H    PHE   6           H        PHE   6 -16.259  -1.542   7.514
   32    HA   PHE   6           HA       PHE   6 -14.476   0.105   7.445
   33   1HB   PHE   6          2HB       PHE   6 -12.564  -1.470   6.976
   34   2HB   PHE   6          1HB       PHE   6 -13.810  -2.135   8.002
   35    HD1  PHE   6           HD1      PHE   6 -15.514  -3.731   7.003
   36    HD2  PHE   6           HD2      PHE   6 -12.141  -2.389   4.804
   37    HE1  PHE   6           HE1      PHE   6 -15.848  -5.547   5.396
   38    HE2  PHE   6           HE2      PHE   6 -12.459  -4.211   3.183
   39    HZ   PHE   6           HZ       PHE   6 -14.322  -5.799   3.478
   40    H    THR   7           H        THR   7 -14.426  -1.419   4.304
   41    HA   THR   7           HA       THR   7 -13.310  -0.837   2.283
   42    HB   THR   7           HB       THR   7 -15.471   0.171   1.842
   43    HG1  THR   7           HG1      THR   7 -13.736   2.380   1.508
   44   1HG2  THR   7          1HG2      THR   7 -16.098   2.410   2.440
   45   2HG2  THR   7          2HG2      THR   7 -14.586   2.779   3.212
   46   3HG2  THR   7          3HG2      THR   7 -15.691   1.630   3.957
   47    H    SER   8           H        SER   8 -13.132   2.251   3.931
   48    HA   SER   8           HA       SER   8 -10.490   2.768   2.668
   49   1HB   SER   8          2HB       SER   8 -12.147   4.601   4.473
   50   2HB   SER   8          1HB       SER   8 -10.845   5.085   3.369
   51    HG   SER   8           HG       SER   8 -12.308   4.965   1.758
   52    H    ASP   9           H        ASP   9 -11.912   2.283   5.812
   53    HA   ASP   9           HA       ASP   9  -9.806   2.921   7.573
   54   1HB   ASP   9          2HB       ASP   9 -11.905   2.496   8.550
   55   2HB   ASP   9          1HB       ASP   9 -12.310   1.200   7.458
   56    H    VAL  10           H        VAL  10 -10.559  -0.354   6.819
   57    HA   VAL  10           HA       VAL  10  -8.431  -1.855   7.466
   58    HB   VAL  10           HB       VAL  10 -10.489  -2.521   6.088
   59   1HG1  VAL  10          1HG1      VAL  10  -8.679  -2.013   3.668
   60   2HG1  VAL  10          2HG1      VAL  10 -10.124  -1.094   4.065
   61   3HG1  VAL  10          3HG1      VAL  10 -10.234  -2.791   3.645
   62   1HG2  VAL  10          1HG2      VAL  10  -9.320  -4.548   5.128
   63   2HG2  VAL  10          2HG2      VAL  10  -8.721  -4.160   6.730
   64   3HG2  VAL  10          3HG2      VAL  10  -7.779  -3.729   5.312
   65    H    SER  11           H        SER  11  -8.387  -0.151   4.385
   66    HA   SER  11           HA       SER  11  -5.595  -0.673   3.804
   67   1HB   SER  11          2HB       SER  11  -7.576   1.342   2.629
   68   2HB   SER  11          1HB       SER  11  -5.936   1.052   1.985
   69    HG   SER  11           HG       SER  11  -6.340  -0.998   1.739
   70    H    SER  12           H        SER  12  -7.255   2.225   5.001
   71    HA   SER  12           HA       SER  12  -5.245   4.117   5.227
   72   1HB   SER  12          2HB       SER  12  -7.598   4.389   6.186
   73   2HB   SER  12          1HB       SER  12  -7.107   3.396   7.561
   74    HG   SER  12           HG       SER  12  -5.124   5.097   7.325
   75    H    TYR  13           H        TYR  13  -5.714   1.337   7.034
   76    HA   TYR  13           HA       TYR  13  -3.277   1.591   8.712
   77   1HB   TYR  13          2HB       TYR  13  -5.399   0.875   9.770
   78   2HB   TYR  13          1HB       TYR  13  -5.594  -0.416   8.603
   79    HD1  TYR  13           HD1      TYR  13  -2.991   0.857  10.967
   80    HD2  TYR  13           HD2      TYR  13  -4.921  -2.535   9.291
   81    HE1  TYR  13           HE1      TYR  13  -1.643  -0.633  12.397
   82    HE2  TYR  13           HE2      TYR  13  -3.561  -4.008  10.736
   83    HH   TYR  13           HH       TYR  13  -2.135  -3.113  13.337
   84    H    LEU  14           H        LEU  14  -4.543  -1.030   6.619
   85    HA   LEU  14           HA       LEU  14  -2.184  -2.589   6.426
   86   1HB   LEU  14          2HB       LEU  14  -4.736  -2.952   5.619
   87   2HB   LEU  14          1HB       LEU  14  -4.129  -2.339   4.099
   88    HG   LEU  14           HG       LEU  14  -2.844  -4.703   5.540
   89   1HD1  LEU  14          1HD1      LEU  14  -4.065  -6.038   3.823
   90   2HD1  LEU  14          2HD1      LEU  14  -4.805  -4.571   3.206
   91   3HD1  LEU  14          3HD1      LEU  14  -5.214  -5.151   4.812
   92   1HD2  LEU  14          1HD2      LEU  14  -1.855  -5.066   3.272
   93   2HD2  LEU  14          2HD2      LEU  14  -1.401  -3.480   3.844
   94   3HD2  LEU  14          3HD2      LEU  14  -2.686  -3.645   2.676
   95    H    GLU  15           H        GLU  15  -3.323  -0.301   3.877
   96    HA   GLU  15           HA       GLU  15  -0.897  -0.313   2.393
   97   1HB   GLU  15          2HB       GLU  15  -3.247   1.582   2.746
   98   2HB   GLU  15          1HB       GLU  15  -1.854   2.177   1.857
   99   1HG   GLU  15          2HG       GLU  15  -3.657   0.936   0.408
  100   2HG   GLU  15          1HG       GLU  15  -2.024   0.351   0.211
  101    H    GLY  16           H        GLY  16  -2.012   1.478   5.065
  102   1HA   GLY  16          2HA       GLY  16   0.161   3.307   5.642
  103   2HA   GLY  16          1HA       GLY  16  -0.987   2.732   6.850
  104    H    GLN  17           H        GLN  17   0.203   0.108   5.635
  105    HA   GLN  17           HA       GLN  17   2.534  -0.344   7.462
  106   1HB   GLN  17          2HB       GLN  17  -0.040  -1.618   7.312
  107   2HB   GLN  17          1HB       GLN  17   1.002  -2.652   6.362
  108   1HG   GLN  17          2HG       GLN  17   1.523  -3.696   8.340
  109   2HG   GLN  17          1HG       GLN  17   2.557  -2.348   8.642
  110   1HE2  GLN  17          1HE2      GLN  17  -0.081  -3.998   9.760
  111   2HE2  GLN  17          2HE2      GLN  17  -0.492  -2.981  11.042
  112    H    ALA  18           H        ALA  18   1.185  -1.683   4.592
  113    HA   ALA  18           HA       ALA  18   3.306  -2.670   3.206
  114   1HB   ALA  18          1HB       ALA  18   0.953  -2.457   2.300
  115   2HB   ALA  18          2HB       ALA  18   2.103  -1.898   1.094
  116   3HB   ALA  18          3HB       ALA  18   1.201  -0.743   2.060
  117    H    ALA  19           H        ALA  19   2.584   0.747   3.273
  118    HA   ALA  19           HA       ALA  19   4.847   1.672   1.794
  119   1HB   ALA  19          1HB       ALA  19   3.146   3.029   3.955
  120   2HB   ALA  19          2HB       ALA  19   2.792   3.007   2.238
  121   3HB   ALA  19          3HB       ALA  19   4.191   3.890   2.831
  122    H    LYS  20           H        LYS  20   4.529   1.673   5.364
  123    HA   LYS  20           HA       LYS  20   7.226   2.531   5.884
  124   1HB   LYS  20          2HB       LYS  20   6.252   0.457   7.802
  125   2HB   LYS  20          1HB       LYS  20   6.911   2.036   8.124
  126   1HG   LYS  20          2HG       LYS  20   4.638   3.013   7.569
  127   2HG   LYS  20          1HG       LYS  20   4.058   1.360   7.364
  128   1HD   LYS  20          2HD       LYS  20   5.232   0.915   9.739
  129   2HD   LYS  20          1HD       LYS  20   5.188   2.655   9.919
  130   1HE   LYS  20          2HE       LYS  20   3.250   1.736  11.012
  131   2HE   LYS  20          1HE       LYS  20   2.684   2.523   9.538
  132   1HZ   LYS  20          1HZ       LYS  20   3.547  -0.124   8.898
  133   2HZ   LYS  20          2HZ       LYS  20   1.988   0.555   8.791
  134   3HZ   LYS  20          3HZ       LYS  20   2.454  -0.249  10.162
  135    H    GLU  21           H        GLU  21   5.916  -0.719   5.864
  136    HA   GLU  21           HA       GLU  21   8.407  -2.075   6.212
  137   1HB   GLU  21          2HB       GLU  21   5.733  -2.880   4.994
  138   2HB   GLU  21          1HB       GLU  21   7.011  -4.032   5.356
  139   1HG   GLU  21          2HG       GLU  21   6.051  -4.082   7.524
  140   2HG   GLU  21          1HG       GLU  21   6.853  -2.558   7.796
  141    H    PHE  22           H        PHE  22   6.848  -1.086   3.109
  142    HA   PHE  22           HA       PHE  22   8.834  -2.409   1.489
  143   1HB   PHE  22          2HB       PHE  22   6.681  -1.556   0.467
  144   2HB   PHE  22          1HB       PHE  22   7.075   0.085   0.958
  145    HD1  PHE  22           HD1      PHE  22   8.879  -2.726  -0.810
  146    HD2  PHE  22           HD2      PHE  22   7.874   1.402  -0.789
  147    HE1  PHE  22           HE1      PHE  22  10.144  -2.416  -2.881
  148    HE2  PHE  22           HE2      PHE  22   9.142   1.723  -2.872
  149    HZ   PHE  22           HZ       PHE  22  10.281  -0.189  -3.922
  150    H    ILE  23           H        ILE  23   8.511   0.873   2.860
  151    HA   ILE  23           HA       ILE  23  10.901   1.818   1.838
  152    HB   ILE  23           HB       ILE  23   9.539   2.378   4.545
  153   1HG1  ILE  23          2HG1      ILE  23   9.759   4.132   2.061
  154   2HG1  ILE  23          1HG1      ILE  23   8.438   3.012   2.296
  155   1HG2  ILE  23          1HG2      ILE  23  11.991   2.981   4.709
  156   2HG2  ILE  23          2HG2      ILE  23  10.992   4.415   4.731
  157   3HG2  ILE  23          3HG2      ILE  23  11.831   3.958   3.259
  158   1HD1  ILE  23          1HD1      ILE  23   9.137   5.318   4.202
  159   2HD1  ILE  23          2HD1      ILE  23   7.829   4.170   4.435
  160   3HD1  ILE  23          3HD1      ILE  23   7.788   5.288   3.085
  161    H    ALA  24           H        ALA  24  10.414   0.122   4.866
  162    HA   ALA  24           HA       ALA  24  13.000  -0.169   5.891
  163   1HB   ALA  24          1HB       ALA  24  10.898  -1.053   6.951
  164   2HB   ALA  24          2HB       ALA  24  12.148  -2.291   6.914
  165   3HB   ALA  24          3HB       ALA  24  10.844  -2.338   5.759
  166    H    TRP  25           H        TRP  25  11.550  -2.270   3.468
  167    HA   TRP  25           HA       TRP  25  13.228  -4.231   2.802
  168   1HB   TRP  25          2HB       TRP  25  11.103  -3.462   1.610
  169   2HB   TRP  25          1HB       TRP  25  12.096  -2.355   0.667
  170    HD1  TRP  25           HD1      TRP  25  12.352  -5.985   1.731
  171    HE1  TRP  25           HE1      TRP  25  12.990  -7.331  -0.338
  172    HE3  TRP  25           HE3      TRP  25  12.582  -2.321  -1.626
  173    HZ2  TRP  25           HZ2      TRP  25  13.542  -6.924  -3.127
  174    HZ3  TRP  25           HZ3      TRP  25  13.155  -2.740  -3.997
  175    HH2  TRP  25           HH2      TRP  25  13.638  -5.050  -4.759
  176    H    LEU  26           H        LEU  26  13.585  -1.108   1.611
  177    HA   LEU  26           HA       LEU  26  16.407  -1.620   0.801
  178   1HB   LEU  26          2HB       LEU  26  16.036  -0.049  -0.933
  179   2HB   LEU  26          1HB       LEU  26  14.699  -1.168  -0.814
  180    HG   LEU  26           HG       LEU  26  14.130   1.233  -1.505
  181   1HD1  LEU  26          1HD1      LEU  26  11.966   1.093  -0.330
  182   2HD1  LEU  26          2HD1      LEU  26  12.635  -0.016   0.817
  183   3HD1  LEU  26          3HD1      LEU  26  12.437  -0.501  -0.845
  184   1HD2  LEU  26          1HD2      LEU  26  14.227   1.544   1.474
  185   2HD2  LEU  26          2HD2      LEU  26  13.646   2.733   0.345
  186   3HD2  LEU  26          3HD2      LEU  26  15.360   2.324   0.381
  187    H    VAL  27           H        VAL  27  14.788   0.568   3.045
  188    HA   VAL  27           HA       VAL  27  17.251   2.251   3.208
  189    HB   VAL  27           HB       VAL  27  16.183   3.443   5.073
  190   1HG1  VAL  27          1HG1      VAL  27  14.053   2.844   2.994
  191   2HG1  VAL  27          2HG1      VAL  27  15.332   4.034   2.815
  192   3HG1  VAL  27          3HG1      VAL  27  14.096   4.240   4.043
  193   1HG2  VAL  27          1HG2      VAL  27  13.962   2.774   5.975
  194   2HG2  VAL  27          2HG2      VAL  27  15.153   1.528   6.282
  195   3HG2  VAL  27          3HG2      VAL  27  14.002   1.341   4.968
  196    H    LYS  28           H        LYS  28  15.897  -0.494   4.749
  197    HA   LYS  28           HA       LYS  28  18.372  -0.755   6.333
  198   1HB   LYS  28          2HB       LYS  28  15.561  -0.755   7.274
  199   2HB   LYS  28          1HB       LYS  28  16.510  -1.978   8.044
  200   1HG   LYS  28          2HG       LYS  28  16.806   1.049   8.035
  201   2HG   LYS  28          1HG       LYS  28  16.663   0.052   9.444
  202   1HD   LYS  28          2HD       LYS  28  19.067   0.888   7.850
  203   2HD   LYS  28          1HD       LYS  28  18.949   0.670   9.565
  204   1HE   LYS  28          2HE       LYS  28  19.890  -1.262   7.456
  205   2HE   LYS  28          1HE       LYS  28  20.502  -0.938   9.053
  206   1HZ   LYS  28          1HZ       LYS  28  19.316  -2.709   9.818
  207   2HZ   LYS  28          2HZ       LYS  28  18.692  -2.935   8.252
  208   3HZ   LYS  28          3HZ       LYS  28  17.894  -1.903   9.337
  209    H    GLY  29           H        GLY  29  16.076  -2.565   4.581
  210   1HA   GLY  29          2HA       GLY  29  16.844  -4.665   3.493
  211   2HA   GLY  29          1HA       GLY  29  17.792  -5.026   4.914
  212    H    ARG  30           HN       ARG  30  14.343  -4.238   4.407
  213    HA   ARG  30           HA       ARG  30  13.789  -6.792   5.686
  214   1HB   ARG  30          2HB       ARG  30  13.328  -4.337   6.846
  215   2HB   ARG  30          1HB       ARG  30  11.755  -4.737   6.202
  216   1HG   ARG  30          2HG       ARG  30  13.382  -6.404   8.205
  217   2HG   ARG  30          1HG       ARG  30  11.857  -5.610   8.498
  218   1HD   ARG  30          2HD       ARG  30  10.768  -7.540   7.935
  219   2HD   ARG  30          1HD       ARG  30  11.294  -7.285   6.291
  220    HE   ARG  30           HE       ARG  30  12.388  -9.379   8.001
  221   1HH1  ARG  30          1HH2      ARG  30  12.635  -9.074   5.141
  222   2HH1  ARG  30          2HH2      ARG  30  14.332  -9.040   4.927
  223   1HH2  ARG  30          1HH1      ARG  30  14.735  -8.197   8.232
  224   2HH2  ARG  30          2HH1      ARG  30  15.543  -8.308   6.695
  Start of MODEL    7
    1   1H    HIS   1          1H        HIS   1 -17.302   6.734   4.588
    2   2H    HIS   1          2H        HIS   1 -18.143   8.121   4.259
    3   3H    HIS   1          3H        HIS   1 -17.625   7.145   2.997
    4    HA   HIS   1           HA       HIS   1 -20.103   6.993   4.367
    5   1HB   HIS   1          2HB       HIS   1 -18.871   5.104   2.277
    6   2HB   HIS   1          1HB       HIS   1 -20.576   5.259   2.630
    7    HD1  HIS   1           HD1      HIS   1 -20.095   5.824  -0.084
    8    HD2  HIS   1           HD2      HIS   1 -19.513   8.868   2.585
    9    HE1  HIS   1           HE1      HIS   1 -20.218   7.950  -1.356
   10    H    ALA   2           H        ALA   2 -20.696   5.855   6.054
   11    HA   ALA   2           HA       ALA   2 -21.136   3.795   7.260
   12   1HB   ALA   2          1HB       ALA   2 -19.374   2.451   5.919
   13   2HB   ALA   2          2HB       ALA   2 -19.265   2.189   7.642
   14   3HB   ALA   2          3HB       ALA   2 -18.109   3.241   6.849
   15    H    GLU   3           H        GLU   3 -18.861   3.322   9.271
   16    HA   GLU   3           HA       GLU   3 -19.278   5.833  10.845
   17   1HB   GLU   3          2HB       GLU   3 -19.431   3.170  11.508
   18   2HB   GLU   3          1HB       GLU   3 -17.721   3.424  11.819
   19   1HG   GLU   3          2HG       GLU   3 -18.222   5.170  13.481
   20   2HG   GLU   3          1HG       GLU   3 -19.927   5.152  13.060
   21    H    GLY   4           H        GLY   4 -18.156   6.424   8.832
   22   1HA   GLY   4          2HA       GLY   4 -16.148   8.020   8.602
   23   2HA   GLY   4          1HA       GLY   4 -15.150   6.583   8.938
   24    H    THR   5           H        THR   5 -14.308   5.946   7.007
   25    HA   THR   5           HA       THR   5 -16.168   5.326   4.726
   26    HB   THR   5           HB       THR   5 -13.681   7.127   4.403
   27    HG1  THR   5           HG1      THR   5 -15.196   8.533   4.554
   28   1HG2  THR   5          1HG2      THR   5 -14.476   7.420   2.085
   29   2HG2  THR   5          2HG2      THR   5 -15.836   6.343   2.327
   30   3HG2  THR   5          3HG2      THR   5 -14.203   5.711   2.279
   31    H    PHE   6           H        PHE   6 -15.226   3.527   6.294
   32    HA   PHE   6           HA       PHE   6 -13.175   1.973   6.369
   33   1HB   PHE   6          2HB       PHE   6 -15.720   0.976   5.023
   34   2HB   PHE   6          1HB       PHE   6 -14.551  -0.037   5.853
   35    HD1  PHE   6           HD1      PHE   6 -14.404   2.661   8.002
   36    HD2  PHE   6           HD2      PHE   6 -17.240  -0.231   6.643
   37    HE1  PHE   6           HE1      PHE   6 -15.663   2.932  10.054
   38    HE2  PHE   6           HE2      PHE   6 -18.499   0.048   8.733
   39    HZ   PHE   6           HZ       PHE   6 -17.709   1.631  10.448
   40    H    THR   7           H        THR   7 -14.677   1.999   3.224
   41    HA   THR   7           HA       THR   7 -13.177   0.395   1.575
   42    HB   THR   7           HB       THR   7 -13.436   1.988  -0.355
   43    HG1  THR   7           HG1      THR   7 -14.394   4.092   0.576
   44   1HG2  THR   7          1HG2      THR   7 -15.786   2.686  -0.126
   45   2HG2  THR   7          2HG2      THR   7 -15.715   2.581   1.626
   46   3HG2  THR   7          3HG2      THR   7 -15.680   1.120   0.648
   47    H    SER   8           H        SER   8 -12.229   3.526   2.440
   48    HA   SER   8           HA       SER   8  -9.390   3.137   1.486
   49   1HB   SER   8          2HB       SER   8 -10.763   5.784   2.185
   50   2HB   SER   8          1HB       SER   8  -9.275   5.551   1.252
   51    HG   SER   8           HG       SER   8 -11.826   4.436   0.527
   52    H    ASP   9           H        ASP   9 -11.338   4.356   4.020
   53    HA   ASP   9           HA       ASP   9  -9.607   5.153   6.067
   54   1HB   ASP   9          2HB       ASP   9 -12.014   5.542   5.741
   55   2HB   ASP   9          1HB       ASP   9 -12.265   3.815   5.713
   56    H    VAL  10           H        VAL  10 -11.310   2.246   6.636
   57    HA   VAL  10           HA       VAL  10  -9.563   0.807   8.235
   58    HB   VAL  10           HB       VAL  10 -11.510  -0.208   6.088
   59   1HG1  VAL  10          1HG1      VAL  10 -11.423  -2.418   7.271
   60   2HG1  VAL  10          2HG1      VAL  10 -10.172  -1.813   8.340
   61   3HG1  VAL  10          3HG1      VAL  10  -9.840  -2.030   6.631
   62   1HG2  VAL  10          1HG2      VAL  10 -12.445   1.042   8.090
   63   2HG2  VAL  10          2HG2      VAL  10 -11.665  -0.091   9.150
   64   3HG2  VAL  10          3HG2      VAL  10 -12.952  -0.637   8.099
   65    H    SER  11           H        SER  11  -9.686   0.525   4.729
   66    HA   SER  11           HA       SER  11  -7.567  -1.218   4.158
   67   1HB   SER  11          2HB       SER  11  -8.278   1.360   2.705
   68   2HB   SER  11          1HB       SER  11  -7.027   0.247   2.113
   69    HG   SER  11           HG       SER  11  -9.618  -0.061   1.837
   70    H    SER  12           H        SER  12  -7.100   2.255   4.661
   71    HA   SER  12           HA       SER  12  -4.328   2.525   4.516
   72   1HB   SER  12          2HB       SER  12  -6.175   3.782   6.621
   73   2HB   SER  12          1HB       SER  12  -4.554   4.371   6.218
   74    HG   SER  12           HG       SER  12  -6.819   4.147   4.493
   75    H    TYR  13           H        TYR  13  -6.099   1.466   7.314
   76    HA   TYR  13           HA       TYR  13  -3.958   1.033   9.160
   77   1HB   TYR  13          2HB       TYR  13  -6.497   0.927   9.589
   78   2HB   TYR  13          1HB       TYR  13  -6.506  -0.647   8.833
   79    HD1  TYR  13           HD1      TYR  13  -7.680  -0.777  11.207
   80    HD2  TYR  13           HD2      TYR  13  -3.464  -0.634  10.626
   81    HE1  TYR  13           HE1      TYR  13  -7.311  -1.858  13.405
   82    HE2  TYR  13           HE2      TYR  13  -3.144  -1.701  12.808
   83    HH   TYR  13           HH       TYR  13  -4.203  -2.905  14.419
   84    H    LEU  14           H        LEU  14  -5.421  -1.218   6.947
   85    HA   LEU  14           HA       LEU  14  -3.624  -3.450   7.296
   86   1HB   LEU  14          2HB       LEU  14  -5.339  -2.558   4.903
   87   2HB   LEU  14          1HB       LEU  14  -4.426  -4.042   4.896
   88    HG   LEU  14           HG       LEU  14  -5.711  -4.915   6.803
   89   1HD1  LEU  14          1HD1      LEU  14  -7.317  -2.332   6.556
   90   2HD1  LEU  14          2HD1      LEU  14  -6.314  -2.775   7.935
   91   3HD1  LEU  14          3HD1      LEU  14  -7.747  -3.699   7.565
   92   1HD2  LEU  14          1HD2      LEU  14  -6.538  -5.246   4.472
   93   2HD2  LEU  14          2HD2      LEU  14  -7.446  -3.747   4.567
   94   3HD2  LEU  14          3HD2      LEU  14  -7.888  -5.109   5.582
   95    H    GLU  15           H        GLU  15  -3.621  -0.969   4.820
   96    HA   GLU  15           HA       GLU  15  -1.315  -1.457   3.336
   97   1HB   GLU  15          2HB       GLU  15  -2.938   0.553   3.212
   98   2HB   GLU  15          1HB       GLU  15  -1.970   1.324   4.461
   99   1HG   GLU  15          2HG       GLU  15  -1.104   2.073   2.252
  100   2HG   GLU  15          1HG       GLU  15   0.093   0.996   2.921
  101    H    GLY  16           H        GLY  16  -1.405   0.294   6.341
  102   1HA   GLY  16          2HA       GLY  16   1.329   0.696   6.946
  103   2HA   GLY  16          1HA       GLY  16   0.142   0.365   8.209
  104    H    GLN  17           H        GLN  17  -0.555  -2.104   7.791
  105    HA   GLN  17           HA       GLN  17   1.371  -3.738   9.040
  106   1HB   GLN  17          2HB       GLN  17  -0.373  -5.307   9.020
  107   2HB   GLN  17          1HB       GLN  17  -1.307  -4.028   8.290
  108   1HG   GLN  17          2HG       GLN  17  -0.712  -4.920   5.970
  109   2HG   GLN  17          1HG       GLN  17   0.142  -6.244   6.728
  110   1HE2  GLN  17          1HE2      GLN  17  -1.135  -8.106   6.803
  111   2HE2  GLN  17          2HE2      GLN  17  -2.836  -8.020   6.951
  112    H    ALA  18           H        ALA  18   1.130  -3.008   5.761
  113    HA   ALA  18           HA       ALA  18   3.111  -5.006   4.908
  114   1HB   ALA  18          1HB       ALA  18   2.454  -4.208   2.621
  115   2HB   ALA  18          2HB       ALA  18   1.429  -2.980   3.338
  116   3HB   ALA  18          3HB       ALA  18   1.038  -4.672   3.546
  117    H    ALA  19           H        ALA  19   2.562  -1.576   4.643
  118    HA   ALA  19           HA       ALA  19   4.742  -0.364   3.648
  119   1HB   ALA  19          1HB       ALA  19   4.350   1.488   5.323
  120   2HB   ALA  19          2HB       ALA  19   3.432   0.357   6.307
  121   3HB   ALA  19          3HB       ALA  19   2.849   0.802   4.714
  122    H    LYS  20           H        LYS  20   4.870  -1.212   7.009
  123    HA   LYS  20           HA       LYS  20   7.314  -0.504   7.965
  124   1HB   LYS  20          2HB       LYS  20   6.955  -2.005   9.663
  125   2HB   LYS  20          1HB       LYS  20   5.389  -2.086   8.917
  126   1HG   LYS  20          2HG       LYS  20   7.638  -4.127   8.516
  127   2HG   LYS  20          1HG       LYS  20   6.233  -4.331   9.543
  128   1HD   LYS  20          2HD       LYS  20   4.858  -3.861   7.296
  129   2HD   LYS  20          1HD       LYS  20   6.354  -4.299   6.507
  130   1HE   LYS  20          2HE       LYS  20   6.416  -6.453   7.569
  131   2HE   LYS  20          1HE       LYS  20   4.896  -6.099   8.405
  132   1HZ   LYS  20          1HZ       LYS  20   4.824  -5.415   5.619
  133   2HZ   LYS  20          2HZ       LYS  20   3.748  -6.404   6.455
  134   3HZ   LYS  20          3HZ       LYS  20   5.199  -6.975   5.729
  135    H    GLU  21           H        GLU  21   7.083  -2.991   5.590
  136    HA   GLU  21           HA       GLU  21  10.004  -3.619   5.752
  137   1HB   GLU  21          2HB       GLU  21   9.420  -5.658   4.621
  138   2HB   GLU  21          1HB       GLU  21   8.261  -5.451   5.903
  139   1HG   GLU  21          2HG       GLU  21   6.898  -4.200   3.795
  140   2HG   GLU  21          1HG       GLU  21   7.855  -5.362   2.917
  141    H    PHE  22           H        PHE  22   7.560  -2.528   3.406
  142    HA   PHE  22           HA       PHE  22   9.379  -2.442   1.189
  143   1HB   PHE  22          2HB       PHE  22   6.719  -1.998   1.289
  144   2HB   PHE  22          1HB       PHE  22   7.202  -0.315   1.500
  145    HD1  PHE  22           HD1      PHE  22   9.177   0.466  -0.180
  146    HD2  PHE  22           HD2      PHE  22   6.529  -2.786  -0.877
  147    HE1  PHE  22           HE1      PHE  22   9.646   0.602  -2.578
  148    HE2  PHE  22           HE2      PHE  22   6.998  -2.651  -3.290
  149    HZ   PHE  22           HZ       PHE  22   8.562  -0.957  -4.141
  150    H    ILE  23           H        ILE  23   8.540  -0.330   3.742
  151    HA   ILE  23           HA       ILE  23  10.060   1.918   3.129
  152    HB   ILE  23           HB       ILE  23   9.364   0.605   5.818
  153   1HG1  ILE  23          2HG1      ILE  23   8.269   3.118   4.481
  154   2HG1  ILE  23          1HG1      ILE  23   7.539   1.545   4.280
  155   1HG2  ILE  23          1HG2      ILE  23   9.998   2.790   6.901
  156   2HG2  ILE  23          2HG2      ILE  23  10.502   3.419   5.348
  157   3HG2  ILE  23          3HG2      ILE  23  11.404   2.122   6.104
  158   1HD1  ILE  23          1HD1      ILE  23   7.891   2.995   6.961
  159   2HD1  ILE  23          2HD1      ILE  23   7.193   1.396   6.771
  160   3HD1  ILE  23          3HD1      ILE  23   6.389   2.796   6.091
  161    H    ALA  24           H        ALA  24  10.984  -1.024   4.717
  162    HA   ALA  24           HA       ALA  24  13.724  -0.473   5.350
  163   1HB   ALA  24          1HB       ALA  24  13.862  -2.987   5.437
  164   2HB   ALA  24          2HB       ALA  24  12.422  -3.155   4.530
  165   3HB   ALA  24          3HB       ALA  24  12.348  -2.500   6.148
  166    H    TRP  25           H        TRP  25  12.479  -2.163   2.612
  167    HA   TRP  25           HA       TRP  25  14.537  -2.776   0.904
  168   1HB   TRP  25          2HB       TRP  25  12.145  -1.180  -0.121
  169   2HB   TRP  25          1HB       TRP  25  13.144  -2.266  -1.046
  170    HD1  TRP  25           HD1      TRP  25  10.249  -2.791  -1.392
  171    HE1  TRP  25           HE1      TRP  25   9.157  -4.829  -0.305
  172    HE3  TRP  25           HE3      TRP  25  13.548  -3.845   2.203
  173    HZ2  TRP  25           HZ2      TRP  25   9.550  -6.688   1.772
  174    HZ3  TRP  25           HZ3      TRP  25  13.233  -5.760   3.767
  175    HH2  TRP  25           HH2      TRP  25  11.212  -7.189   3.541
  176    H    LEU  26           H        LEU  26  13.169   0.216   1.130
  177    HA   LEU  26           HA       LEU  26  15.303   1.607  -0.355
  178   1HB   LEU  26          2HB       LEU  26  13.051   1.437  -1.086
  179   2HB   LEU  26          1HB       LEU  26  12.450   2.038   0.426
  180    HG   LEU  26           HG       LEU  26  13.517   4.315  -0.045
  181   1HD1  LEU  26          1HD1      LEU  26  14.224   3.031  -2.728
  182   2HD1  LEU  26          2HD1      LEU  26  15.376   3.484  -1.482
  183   3HD1  LEU  26          3HD1      LEU  26  14.456   4.720  -2.306
  184   1HD2  LEU  26          1HD2      LEU  26  12.013   4.939  -1.929
  185   2HD2  LEU  26          2HD2      LEU  26  11.177   3.858  -0.828
  186   3HD2  LEU  26          3HD2      LEU  26  11.807   3.248  -2.351
  187    H    VAL  27           H        VAL  27  14.400   1.559   2.968
  188    HA   VAL  27           HA       VAL  27  15.523   4.264   3.446
  189    HB   VAL  27           HB       VAL  27  14.327   2.076   5.228
  190   1HG1  VAL  27          1HG1      VAL  27  14.654   3.628   7.172
  191   2HG1  VAL  27          2HG1      VAL  27  15.534   4.745   6.141
  192   3HG1  VAL  27          3HG1      VAL  27  16.211   3.177   6.520
  193   1HG2  VAL  27          1HG2      VAL  27  12.817   3.659   3.966
  194   2HG2  VAL  27          2HG2      VAL  27  13.650   5.016   4.683
  195   3HG2  VAL  27          3HG2      VAL  27  12.704   3.946   5.696
  196    H    LYS  28           H        LYS  28  16.457   1.033   3.636
  197    HA   LYS  28           HA       LYS  28  19.020   0.731   3.168
  198   1HB   LYS  28          2HB       LYS  28  20.475   1.258   5.145
  199   2HB   LYS  28          1HB       LYS  28  19.757   2.703   4.492
  200   1HG   LYS  28          2HG       LYS  28  18.782   3.182   6.474
  201   2HG   LYS  28          1HG       LYS  28  17.905   1.681   6.453
  202   1HD   LYS  28          2HD       LYS  28  20.275   0.663   7.344
  203   2HD   LYS  28          1HD       LYS  28  20.612   2.336   7.739
  204   1HE   LYS  28          2HE       LYS  28  19.582   1.217   9.687
  205   2HE   LYS  28          1HE       LYS  28  18.458   2.427   9.049
  206   1HZ   LYS  28          1HZ       LYS  28  18.214   0.002   7.575
  207   2HZ   LYS  28          2HZ       LYS  28  17.023   0.774   8.457
  208   3HZ   LYS  28          3HZ       LYS  28  17.909  -0.356   9.189
  209    H    GLY  29           H        GLY  29  17.480  -1.197   3.220
  210   1HA   GLY  29          2HA       GLY  29  17.497  -3.528   3.928
  211   2HA   GLY  29          1HA       GLY  29  18.511  -3.085   5.280
  212    H    ARG  30           HN       ARG  30  16.874  -1.218   6.365
  213    HA   ARG  30           HA       ARG  30  14.237  -1.702   7.012
  214   1HB   ARG  30          2HB       ARG  30  15.057  -4.006   7.741
  215   2HB   ARG  30          1HB       ARG  30  16.124  -3.209   8.861
  216   1HG   ARG  30          2HG       ARG  30  14.204  -4.104  10.028
  217   2HG   ARG  30          1HG       ARG  30  14.201  -2.392  10.172
  218   1HD   ARG  30          2HD       ARG  30  12.557  -3.891   8.044
  219   2HD   ARG  30          1HD       ARG  30  11.921  -3.747   9.664
  220    HE   ARG  30           HE       ARG  30  11.013  -1.814   8.261
  221   1HH1  ARG  30          1HH1      ARG  30  13.013  -1.012  10.468
  222   2HH1  ARG  30          2HH1      ARG  30  13.774   0.323   9.661
  223   1HH2  ARG  30          1HH2      ARG  30  12.182  -0.429   6.762
  224   2HH2  ARG  30          2HH2      ARG  30  13.280   0.664   7.574
  Start of MODEL    8
    1   1H    HIS   1          1H        HIS   1 -15.217  -2.471   0.075
    2   2H    HIS   1          2H        HIS   1 -16.158  -2.587   1.505
    3   3H    HIS   1          3H        HIS   1 -16.528  -1.456   0.393
    4    HA   HIS   1           HA       HIS   1 -16.748  -3.797  -1.061
    5   1HB   HIS   1          2HB       HIS   1 -16.786  -5.171   1.034
    6   2HB   HIS   1          1HB       HIS   1 -17.754  -3.994   1.886
    7    HD1  HIS   1           HD1      HIS   1 -18.272  -6.236  -1.133
    8    HD2  HIS   1           HD2      HIS   1 -20.313  -4.559   1.990
    9    HE1  HIS   1           HE1      HIS   1 -20.596  -7.071  -1.269
   10    H    ALA   2           H        ALA   2 -19.868  -3.603  -0.350
   11    HA   ALA   2           HA       ALA   2 -20.815  -1.848  -2.123
   12   1HB   ALA   2          1HB       ALA   2 -22.176  -3.247  -0.612
   13   2HB   ALA   2          2HB       ALA   2 -22.768  -1.595  -0.570
   14   3HB   ALA   2          3HB       ALA   2 -21.778  -2.204   0.746
   15    H    GLU   3           H        GLU   3 -19.481  -0.624   0.878
   16    HA   GLU   3           HA       GLU   3 -20.244   2.151   0.348
   17   1HB   GLU   3          2HB       GLU   3 -18.785   2.448   2.513
   18   2HB   GLU   3          1HB       GLU   3 -20.354   1.697   2.605
   19   1HG   GLU   3          2HG       GLU   3 -18.174   0.603   3.805
   20   2HG   GLU   3          1HG       GLU   3 -19.477  -0.386   3.233
   21    H    GLY   4           H        GLY   4 -17.660   0.507  -0.759
   22   1HA   GLY   4          2HA       GLY   4 -15.319   1.125  -1.204
   23   2HA   GLY   4          1HA       GLY   4 -16.245   2.061  -2.353
   24    H    THR   5           H        THR   5 -15.719   2.521   1.030
   25    HA   THR   5           HA       THR   5 -14.312   5.131   0.447
   26    HB   THR   5           HB       THR   5 -16.774   5.389   1.106
   27    HG1  THR   5           HG1      THR   5 -15.982   7.216   1.814
   28   1HG2  THR   5          1HG2      THR   5 -17.265   5.357   3.488
   29   2HG2  THR   5          2HG2      THR   5 -15.664   4.800   3.897
   30   3HG2  THR   5          3HG2      THR   5 -16.766   3.737   3.037
   31    H    PHE   6           H        PHE   6 -14.006   5.840   3.113
   32    HA   PHE   6           HA       PHE   6 -12.451   5.720   4.947
   33   1HB   PHE   6          2HB       PHE   6 -12.451   2.680   4.376
   34   2HB   PHE   6          1HB       PHE   6 -11.921   3.461   5.844
   35    HD1  PHE   6           HD1      PHE   6 -13.661   4.911   7.084
   36    HD2  PHE   6           HD2      PHE   6 -14.659   1.959   4.205
   37    HE1  PHE   6           HE1      PHE   6 -15.946   4.786   8.012
   38    HE2  PHE   6           HE2      PHE   6 -16.931   1.815   5.114
   39    HZ   PHE   6           HZ       PHE   6 -17.585   3.230   7.019
   40    H    THR   7           H        THR   7 -11.293   3.195   2.921
   41    HA   THR   7           HA       THR   7  -9.120   2.615   2.121
   42    HB   THR   7           HB       THR   7  -8.295   4.260   0.381
   43    HG1  THR   7           HG1      THR   7 -10.332   6.018   1.062
   44   1HG2  THR   7          1HG2      THR   7 -11.356   4.386   0.615
   45   2HG2  THR   7          2HG2      THR   7 -10.500   3.059  -0.139
   46   3HG2  THR   7          3HG2      THR   7 -10.407   4.665  -0.838
   47    H    SER   8           H        SER   8  -8.586   5.907   2.868
   48    HA   SER   8           HA       SER   8  -5.911   6.264   3.343
   49   1HB   SER   8          2HB       SER   8  -8.160   7.355   5.061
   50   2HB   SER   8          1HB       SER   8  -6.522   8.037   4.999
   51    HG   SER   8           HG       SER   8  -8.164   7.545   2.703
   52    H    ASP   9           H        ASP   9  -8.035   4.835   5.607
   53    HA   ASP   9           HA       ASP   9  -5.941   4.270   7.629
   54   1HB   ASP   9          2HB       ASP   9  -8.004   3.851   9.043
   55   2HB   ASP   9          1HB       ASP   9  -8.191   5.374   8.200
   56    H    VAL  10           H        VAL  10  -8.596   2.444   6.237
   57    HA   VAL  10           HA       VAL  10  -8.112  -0.174   6.740
   58    HB   VAL  10           HB       VAL  10  -8.839   1.066   4.039
   59   1HG1  VAL  10          1HG1      VAL  10  -9.940  -1.128   3.540
   60   2HG1  VAL  10          2HG1      VAL  10  -9.359  -1.779   5.062
   61   3HG1  VAL  10          3HG1      VAL  10  -8.222  -1.392   3.781
   62   1HG2  VAL  10          1HG2      VAL  10 -11.176   0.576   4.792
   63   2HG2  VAL  10          2HG2      VAL  10 -10.373   1.647   5.918
   64   3HG2  VAL  10          3HG2      VAL  10 -10.562  -0.039   6.312
   65    H    SER  11           H        SER  11  -6.497   1.539   4.154
   66    HA   SER  11           HA       SER  11  -4.794  -0.533   3.187
   67   1HB   SER  11          2HB       SER  11  -3.253   1.456   2.482
   68   2HB   SER  11          1HB       SER  11  -4.915   1.591   1.891
   69    HG   SER  11           HG       SER  11  -5.386   3.028   3.576
   70    H    SER  12           H        SER  12  -3.536   2.098   4.950
   71    HA   SER  12           HA       SER  12  -1.152   1.249   5.940
   72   1HB   SER  12          2HB       SER  12  -2.282   3.479   6.396
   73   2HB   SER  12          1HB       SER  12  -3.112   2.708   7.758
   74    HG   SER  12           HG       SER  12  -0.928   3.706   8.116
   75    H    TYR  13           H        TYR  13  -4.090  -0.004   7.068
   76    HA   TYR  13           HA       TYR  13  -2.842  -1.432   9.375
   77   1HB   TYR  13          2HB       TYR  13  -5.035  -0.383   9.783
   78   2HB   TYR  13          1HB       TYR  13  -5.733  -1.186   8.386
   79    HD1  TYR  13           HD1      TYR  13  -3.858  -2.005  11.519
   80    HD2  TYR  13           HD2      TYR  13  -6.840  -3.229   8.753
   81    HE1  TYR  13           HE1      TYR  13  -4.343  -3.989  12.903
   82    HE2  TYR  13           HE2      TYR  13  -7.304  -5.214  10.166
   83    HH   TYR  13           HH       TYR  13  -5.287  -6.289  12.443
   84    H    LEU  14           H        LEU  14  -4.692  -2.429   6.492
   85    HA   LEU  14           HA       LEU  14  -3.717  -5.250   6.858
   86   1HB   LEU  14          2HB       LEU  14  -6.156  -4.681   6.482
   87   2HB   LEU  14          1HB       LEU  14  -5.762  -3.946   4.950
   88    HG   LEU  14           HG       LEU  14  -5.179  -6.895   5.512
   89   1HD1  LEU  14          1HD1      LEU  14  -7.647  -5.587   4.248
   90   2HD1  LEU  14          2HD1      LEU  14  -7.624  -6.382   5.812
   91   3HD1  LEU  14          3HD1      LEU  14  -7.352  -7.314   4.352
   92   1HD2  LEU  14          1HD2      LEU  14  -5.315  -7.014   3.029
   93   2HD2  LEU  14          2HD2      LEU  14  -4.091  -5.855   3.464
   94   3HD2  LEU  14          3HD2      LEU  14  -5.667  -5.300   2.934
   95    H    GLU  15           H        GLU  15  -3.693  -2.779   4.394
   96    HA   GLU  15           HA       GLU  15  -1.852  -4.247   2.636
   97   1HB   GLU  15          2HB       GLU  15  -3.156  -2.580   1.495
   98   2HB   GLU  15          1HB       GLU  15  -3.048  -1.464   2.837
   99   1HG   GLU  15          2HG       GLU  15  -0.633  -2.072   1.083
  100   2HG   GLU  15          1HG       GLU  15  -1.699  -0.719   0.787
  101    H    GLY  16           H        GLY  16  -1.713  -1.661   4.795
  102   1HA   GLY  16          2HA       GLY  16   0.524  -0.517   5.280
  103   2HA   GLY  16          1HA       GLY  16  -0.188  -1.355   6.647
  104    H    GLN  17           H        GLN  17   0.319  -3.761   6.488
  105    HA   GLN  17           HA       GLN  17   3.239  -3.795   6.828
  106   1HB   GLN  17          2HB       GLN  17   1.640  -4.756   8.546
  107   2HB   GLN  17          1HB       GLN  17   1.029  -5.918   7.388
  108   1HG   GLN  17          2HG       GLN  17   3.994  -5.803   8.203
  109   2HG   GLN  17          1HG       GLN  17   2.832  -6.778   9.075
  110   1HE2  GLN  17          1HE2      GLN  17   4.717  -6.632   6.138
  111   2HE2  GLN  17          2HE2      GLN  17   4.262  -8.207   5.653
  112    H    ALA  18           H        ALA  18   0.904  -5.478   4.823
  113    HA   ALA  18           HA       ALA  18   2.708  -7.169   3.439
  114   1HB   ALA  18          1HB       ALA  18   0.200  -7.167   3.186
  115   2HB   ALA  18          2HB       ALA  18   0.960  -7.034   1.607
  116   3HB   ALA  18          3HB       ALA  18   0.282  -5.610   2.382
  117    H    ALA  19           H        ALA  19   2.021  -3.807   2.867
  118    HA   ALA  19           HA       ALA  19   4.444  -3.594   1.108
  119   1HB   ALA  19          1HB       ALA  19   2.378  -3.480  -0.170
  120   2HB   ALA  19          2HB       ALA  19   3.133  -1.891  -0.201
  121   3HB   ALA  19          3HB       ALA  19   1.768  -2.199   0.859
  122    H    LYS  20           H        LYS  20   2.513  -0.989   2.641
  123    HA   LYS  20           HA       LYS  20   4.260   1.084   2.692
  124   1HB   LYS  20          2HB       LYS  20   2.005   1.148   3.424
  125   2HB   LYS  20          1HB       LYS  20   2.304   0.043   4.696
  126   1HG   LYS  20          2HG       LYS  20   3.938   2.076   5.557
  127   2HG   LYS  20          1HG       LYS  20   2.900   3.006   4.488
  128   1HD   LYS  20          2HD       LYS  20   1.694   3.026   6.621
  129   2HD   LYS  20          1HD       LYS  20   0.891   1.808   5.643
  130   1HE   LYS  20          2HE       LYS  20   2.412   0.041   6.729
  131   2HE   LYS  20          1HE       LYS  20   3.027   1.333   7.722
  132   1HZ   LYS  20          1HZ       LYS  20   1.456   0.841   9.102
  133   2HZ   LYS  20          2HZ       LYS  20   0.689  -0.156   8.114
  134   3HZ   LYS  20          3HZ       LYS  20   0.232   1.467   8.037
  135    H    GLU  21           H        GLU  21   4.230  -1.134   5.434
  136    HA   GLU  21           HA       GLU  21   6.568  -0.026   6.695
  137   1HB   GLU  21          2HB       GLU  21   4.999  -2.639   6.923
  138   2HB   GLU  21          1HB       GLU  21   6.372  -2.306   7.965
  139   1HG   GLU  21          2HG       GLU  21   5.308  -0.515   9.061
  140   2HG   GLU  21          1HG       GLU  21   4.410  -0.039   7.658
  141    H    PHE  22           H        PHE  22   6.272  -2.611   4.258
  142    HA   PHE  22           HA       PHE  22   9.061  -3.384   4.520
  143   1HB   PHE  22          2HB       PHE  22   7.090  -4.631   3.175
  144   2HB   PHE  22          1HB       PHE  22   7.549  -3.563   1.855
  145    HD1  PHE  22           HD1      PHE  22  10.338  -3.375   1.639
  146    HD2  PHE  22           HD2      PHE  22   8.152  -6.672   3.188
  147    HE1  PHE  22           HE1      PHE  22  12.233  -4.839   1.175
  148    HE2  PHE  22           HE2      PHE  22  10.058  -8.154   2.717
  149    HZ   PHE  22           HZ       PHE  22  12.110  -7.229   1.707
  150    H    ILE  23           H        ILE  23   7.243  -1.174   2.552
  151    HA   ILE  23           HA       ILE  23   9.348  -0.115   1.034
  152    HB   ILE  23           HB       ILE  23   6.894   1.416   2.136
  153   1HG1  ILE  23          2HG1      ILE  23   7.380   0.149  -0.604
  154   2HG1  ILE  23          1HG1      ILE  23   6.485  -0.658   0.657
  155   1HG2  ILE  23          1HG2      ILE  23   7.351   3.026   0.282
  156   2HG2  ILE  23          2HG2      ILE  23   8.761   2.098  -0.197
  157   3HG2  ILE  23          3HG2      ILE  23   8.740   2.942   1.338
  158   1HD1  ILE  23          1HD1      ILE  23   4.913   0.482  -0.891
  159   2HD1  ILE  23          2HD1      ILE  23   5.701   2.020  -0.612
  160   3HD1  ILE  23          3HD1      ILE  23   4.822   1.238   0.683
  161    H    ALA  24           H        ALA  24   8.193   0.853   4.199
  162    HA   ALA  24           HA       ALA  24  10.007   2.929   4.830
  163   1HB   ALA  24          1HB       ALA  24   8.110   2.144   6.341
  164   2HB   ALA  24          2HB       ALA  24   9.618   2.239   7.243
  165   3HB   ALA  24          3HB       ALA  24   9.016   0.692   6.716
  166    H    TRP  25           H        TRP  25  10.510  -0.576   5.250
  167    HA   TRP  25           HA       TRP  25  13.219  -0.579   6.156
  168   1HB   TRP  25          2HB       TRP  25  12.531  -2.603   3.958
  169   2HB   TRP  25          1HB       TRP  25  13.528  -2.772   5.337
  170    HD1  TRP  25           HD1      TRP  25  11.629  -4.910   4.415
  171    HE1  TRP  25           HE1      TRP  25   9.793  -5.643   6.041
  172    HE3  TRP  25           HE3      TRP  25  11.352  -0.879   7.249
  173    HZ2  TRP  25           HZ2      TRP  25   8.333  -4.634   8.311
  174    HZ3  TRP  25           HZ3      TRP  25   9.757  -0.684   9.181
  175    HH2  TRP  25           HH2      TRP  25   8.244  -2.578   9.695
  176    H    LEU  26           H        LEU  26  12.181  -1.152   3.066
  177    HA   LEU  26           HA       LEU  26  14.195  -1.133   1.325
  178   1HB   LEU  26          2HB       LEU  26  11.627  -1.346   1.322
  179   2HB   LEU  26          1HB       LEU  26  11.587   0.339   0.929
  180    HG   LEU  26           HG       LEU  26  13.135  -1.690  -0.758
  181   1HD1  LEU  26          1HD1      LEU  26  10.261  -0.675  -1.050
  182   2HD1  LEU  26          2HD1      LEU  26  10.718  -2.300  -0.575
  183   3HD1  LEU  26          3HD1      LEU  26  11.084  -1.728  -2.191
  184   1HD2  LEU  26          1HD2      LEU  26  12.836   0.081  -2.486
  185   2HD2  LEU  26          2HD2      LEU  26  13.621   0.767  -1.077
  186   3HD2  LEU  26          3HD2      LEU  26  11.913   1.050  -1.348
  187    H    VAL  27           H        VAL  27  12.853   1.776   2.617
  188    HA   VAL  27           HA       VAL  27  14.924   3.480   1.271
  189    HB   VAL  27           HB       VAL  27  13.526   5.398   1.833
  190   1HG1  VAL  27          1HG1      VAL  27  12.916   4.103  -0.196
  191   2HG1  VAL  27          2HG1      VAL  27  11.484   4.790   0.548
  192   3HG1  VAL  27          3HG1      VAL  27  11.848   3.091   0.763
  193   1HG2  VAL  27          1HG2      VAL  27  11.697   3.409   3.239
  194   2HG2  VAL  27          2HG2      VAL  27  11.326   5.095   2.952
  195   3HG2  VAL  27          3HG2      VAL  27  12.636   4.657   4.039
  196    H    LYS  28           H        LYS  28  13.844   2.891   4.657
  197    HA   LYS  28           HA       LYS  28  16.400   4.247   5.510
  198   1HB   LYS  28          2HB       LYS  28  15.208   5.100   7.467
  199   2HB   LYS  28          1HB       LYS  28  14.512   5.636   5.940
  200   1HG   LYS  28          2HG       LYS  28  12.688   3.949   6.138
  201   2HG   LYS  28          1HG       LYS  28  13.459   3.218   7.521
  202   1HD   LYS  28          2HD       LYS  28  11.624   4.648   8.302
  203   2HD   LYS  28          1HD       LYS  28  13.160   5.322   8.822
  204   1HE   LYS  28          2HE       LYS  28  13.117   6.926   6.926
  205   2HE   LYS  28          1HE       LYS  28  11.600   6.231   6.360
  206   1HZ   LYS  28          1HZ       LYS  28  10.503   7.514   7.887
  207   2HZ   LYS  28          2HZ       LYS  28  11.972   8.172   8.417
  208   3HZ   LYS  28          3HZ       LYS  28  11.367   6.769   9.134
  209    H    GLY  29           H        GLY  29  15.611   1.314   5.372
  210   1HA   GLY  29          2HA       GLY  29  16.836   0.430   7.999
  211   2HA   GLY  29          1HA       GLY  29  15.537  -0.503   7.222
  212    H    ARG  30           HN       ARG  30  15.976  -0.442   4.907
  213    HA   ARG  30           HA       ARG  30  17.483  -0.563   3.098
  214   1HB   ARG  30          2HB       ARG  30  19.482  -1.132   4.519
  215   2HB   ARG  30          1HB       ARG  30  18.763  -2.681   4.854
  216   1HG   ARG  30          2HG       ARG  30  20.732  -2.571   3.113
  217   2HG   ARG  30          1HG       ARG  30  19.357  -3.599   2.833
  218   1HD   ARG  30          2HD       ARG  30  20.391  -2.106   0.867
  219   2HD   ARG  30          1HD       ARG  30  18.703  -2.548   0.925
  220    HE   ARG  30           HE       ARG  30  19.728   0.125   1.949
  221   1HH1  ARG  30          1HH2      ARG  30  17.119  -1.689   1.309
  222   2HH1  ARG  30          2HH2      ARG  30  16.163  -0.450   0.592
  223   1HH2  ARG  30          1HH1      ARG  30  18.744   1.758   0.614
  224   2HH2  ARG  30          2HH1      ARG  30  17.043   1.435   0.349
  Start of MODEL    9
    1   1H    HIS   1          1H        HIS   1 -19.265  -5.911   1.936
    2   2H    HIS   1          2H        HIS   1 -19.273  -4.798   0.706
    3   3H    HIS   1          3H        HIS   1 -19.007  -6.403   0.324
    4    HA   HIS   1           HA       HIS   1 -21.246  -6.636  -0.028
    5   1HB   HIS   1          2HB       HIS   1 -21.162  -7.403   2.479
    6   2HB   HIS   1          1HB       HIS   1 -21.530  -5.738   2.920
    7    HD1  HIS   1           HD1      HIS   1 -24.061  -4.975   2.555
    8    HD2  HIS   1           HD2      HIS   1 -23.257  -8.804   1.220
    9    HE1  HIS   1           HE1      HIS   1 -26.168  -5.997   2.032
   10    H    ALA   2           H        ALA   2 -23.561  -5.219   0.465
   11    HA   ALA   2           HA       ALA   2 -22.975  -2.678  -0.848
   12   1HB   ALA   2          1HB       ALA   2 -25.483  -2.364  -0.406
   13   2HB   ALA   2          2HB       ALA   2 -25.458  -3.717   0.681
   14   3HB   ALA   2          3HB       ALA   2 -25.210  -3.986  -1.029
   15    H    GLU   3           H        GLU   3 -23.564  -0.593   0.699
   16    HA   GLU   3           HA       GLU   3 -22.391   0.659   2.398
   17   1HB   GLU   3          2HB       GLU   3 -23.853   0.588   4.366
   18   2HB   GLU   3          1HB       GLU   3 -24.778   0.475   2.885
   19   1HG   GLU   3          2HG       GLU   3 -24.073  -1.985   4.570
   20   2HG   GLU   3          1HG       GLU   3 -25.580  -1.119   4.719
   21    H    GLY   4           H        GLY   4 -21.090  -2.208   2.366
   22   1HA   GLY   4          2HA       GLY   4 -19.305  -1.803   4.685
   23   2HA   GLY   4          1HA       GLY   4 -20.239  -3.283   4.706
   24    H    THR   5           H        THR   5 -17.972  -1.484   2.771
   25    HA   THR   5           HA       THR   5 -16.677  -4.067   1.879
   26    HB   THR   5           HB       THR   5 -17.202  -1.670  -0.007
   27    HG1  THR   5           HG1      THR   5 -18.982  -2.822  -0.282
   28   1HG2  THR   5          1HG2      THR   5 -16.529  -3.317  -1.710
   29   2HG2  THR   5          2HG2      THR   5 -16.370  -4.589  -0.517
   30   3HG2  THR   5          3HG2      THR   5 -15.207  -3.275  -0.563
   31    H    PHE   6           H        PHE   6 -15.728  -3.144   3.883
   32    HA   PHE   6           HA       PHE   6 -14.096  -1.983   5.091
   33   1HB   PHE   6          2HB       PHE   6 -12.574  -3.475   2.913
   34   2HB   PHE   6          1HB       PHE   6 -11.966  -3.063   4.511
   35    HD1  PHE   6           HD1      PHE   6 -13.483  -3.795   6.510
   36    HD2  PHE   6           HD2      PHE   6 -13.607  -5.550   2.651
   37    HE1  PHE   6           HE1      PHE   6 -14.527  -5.810   7.465
   38    HE2  PHE   6           HE2      PHE   6 -14.647  -7.577   3.589
   39    HZ   PHE   6           HZ       PHE   6 -15.110  -7.710   6.001
   40    H    THR   7           H        THR   7 -12.717  -1.533   1.873
   41    HA   THR   7           HA       THR   7 -11.172   0.237   1.199
   42    HB   THR   7           HB       THR   7 -13.128   1.105   0.157
   43    HG1  THR   7           HG1      THR   7 -12.492   3.125   0.342
   44   1HG2  THR   7          1HG2      THR   7 -14.975   2.231   1.263
   45   2HG2  THR   7          2HG2      THR   7 -14.279   2.027   2.846
   46   3HG2  THR   7          3HG2      THR   7 -14.835   0.628   1.959
   47    H    SER   8           H        SER   8 -12.782   2.281   3.516
   48    HA   SER   8           HA       SER   8 -10.652   3.755   4.430
   49   1HB   SER   8          2HB       SER   8 -11.989   4.003   6.614
   50   2HB   SER   8          1HB       SER   8 -12.871   4.360   5.130
   51    HG   SER   8           HG       SER   8 -13.165   1.707   5.519
   52    H    ASP   9           H        ASP   9 -11.585   0.739   6.105
   53    HA   ASP   9           HA       ASP   9  -9.327   0.979   7.935
   54   1HB   ASP   9          2HB       ASP   9 -10.240  -1.357   8.626
   55   2HB   ASP   9          1HB       ASP   9 -11.453  -0.093   8.632
   56    H    VAL  10           H        VAL  10 -10.019  -1.499   5.544
   57    HA   VAL  10           HA       VAL  10  -7.615  -2.836   5.364
   58    HB   VAL  10           HB       VAL  10  -9.632  -3.417   4.092
   59   1HG1  VAL  10          1HG1      VAL  10 -10.327  -1.221   3.354
   60   2HG1  VAL  10          2HG1      VAL  10 -10.212  -2.285   1.964
   61   3HG1  VAL  10          3HG1      VAL  10  -8.966  -1.081   2.250
   62   1HG2  VAL  10          1HG2      VAL  10  -7.460  -4.357   3.277
   63   2HG2  VAL  10          2HG2      VAL  10  -7.226  -2.969   2.233
   64   3HG2  VAL  10          3HG2      VAL  10  -8.536  -4.094   1.919
   65    H    SER  11           H        SER  11  -8.193   0.255   3.558
   66    HA   SER  11           HA       SER  11  -5.393   0.268   2.598
   67   1HB   SER  11          2HB       SER  11  -5.859   2.498   1.735
   68   2HB   SER  11          1HB       SER  11  -7.310   1.543   1.426
   69    HG   SER  11           HG       SER  11  -7.012   3.694   3.031
   70    H    SER  12           H        SER  12  -7.178   2.230   4.951
   71    HA   SER  12           HA       SER  12  -5.215   3.787   6.158
   72   1HB   SER  12          2HB       SER  12  -7.491   3.689   7.151
   73   2HB   SER  12          1HB       SER  12  -7.198   2.051   7.741
   74    HG   SER  12           HG       SER  12  -5.103   3.573   8.504
   75    H    TYR  13           H        TYR  13  -5.698   0.434   6.695
   76    HA   TYR  13           HA       TYR  13  -3.367   0.007   8.402
   77   1HB   TYR  13          2HB       TYR  13  -5.420  -1.423   8.555
   78   2HB   TYR  13          1HB       TYR  13  -5.244  -1.899   6.881
   79    HD1  TYR  13           HD1      TYR  13  -3.146  -3.227   6.209
   80    HD2  TYR  13           HD2      TYR  13  -4.236  -2.576  10.266
   81    HE1  TYR  13           HE1      TYR  13  -1.669  -5.081   6.923
   82    HE2  TYR  13           HE2      TYR  13  -2.750  -4.444  10.940
   83    HH   TYR  13           HH       TYR  13  -0.511  -5.477   9.711
   84    H    LEU  14           H        LEU  14  -4.083  -1.092   5.042
   85    HA   LEU  14           HA       LEU  14  -1.569  -2.073   4.326
   86   1HB   LEU  14          2HB       LEU  14  -3.812  -1.986   3.014
   87   2HB   LEU  14          1HB       LEU  14  -3.349  -0.375   2.538
   88    HG   LEU  14           HG       LEU  14  -1.592  -2.789   1.921
   89   1HD1  LEU  14          1HD1      LEU  14  -3.875  -2.922   0.828
   90   2HD1  LEU  14          2HD1      LEU  14  -2.615  -2.591  -0.355
   91   3HD1  LEU  14          3HD1      LEU  14  -3.638  -1.286   0.223
   92   1HD2  LEU  14          1HD2      LEU  14  -0.461  -0.525   1.787
   93   2HD2  LEU  14          2HD2      LEU  14  -1.762   0.049   0.779
   94   3HD2  LEU  14          3HD2      LEU  14  -0.684  -1.204   0.201
   95    H    GLU  15           H        GLU  15  -2.543   1.300   3.668
   96    HA   GLU  15           HA       GLU  15  -0.020   2.252   2.825
   97   1HB   GLU  15          2HB       GLU  15  -1.715   4.092   4.559
   98   2HB   GLU  15          1HB       GLU  15  -0.860   4.426   3.070
   99   1HG   GLU  15          2HG       GLU  15  -3.619   3.209   3.366
  100   2HG   GLU  15          1HG       GLU  15  -3.094   4.529   2.363
  101    H    GLY  16           H        GLY  16  -1.432   2.473   5.974
  102   1HA   GLY  16          2HA       GLY  16   0.656   3.504   7.601
  103   2HA   GLY  16          1HA       GLY  16  -0.583   2.408   8.212
  104    H    GLN  17           H        GLN  17   0.105   0.290   6.601
  105    HA   GLN  17           HA       GLN  17   2.205  -1.008   8.147
  106   1HB   GLN  17          2HB       GLN  17   0.045  -2.046   7.393
  107   2HB   GLN  17          1HB       GLN  17   0.478  -1.815   5.730
  108   1HG   GLN  17          2HG       GLN  17   2.039  -3.664   7.606
  109   2HG   GLN  17          1HG       GLN  17   0.790  -4.184   6.509
  110   1HE2  GLN  17          1HE2      GLN  17   4.066  -3.696   6.776
  111   2HE2  GLN  17          2HE2      GLN  17   4.415  -3.839   5.101
  112    H    ALA  18           H        ALA  18   1.842  -0.643   4.692
  113    HA   ALA  18           HA       ALA  18   4.375  -1.148   3.751
  114   1HB   ALA  18          1HB       ALA  18   2.356  -0.792   2.368
  115   2HB   ALA  18          2HB       ALA  18   3.620   0.272   1.773
  116   3HB   ALA  18          3HB       ALA  18   2.324   0.903   2.780
  117    H    ALA  19           H        ALA  19   3.243   2.070   4.529
  118    HA   ALA  19           HA       ALA  19   5.241   3.796   4.026
  119   1HB   ALA  19          1HB       ALA  19   3.612   3.566   6.613
  120   2HB   ALA  19          2HB       ALA  19   3.088   4.353   5.136
  121   3HB   ALA  19          3HB       ALA  19   4.404   5.043   6.075
  122    H    LYS  20           H        LYS  20   5.443   1.545   6.570
  123    HA   LYS  20           HA       LYS  20   8.246   2.424   7.222
  124   1HB   LYS  20          2HB       LYS  20   7.190   0.661   9.261
  125   2HB   LYS  20          1HB       LYS  20   7.675   2.321   9.423
  126   1HG   LYS  20          2HG       LYS  20   5.527   3.222   9.122
  127   2HG   LYS  20          1HG       LYS  20   4.873   1.800   8.352
  128   1HD   LYS  20          2HD       LYS  20   5.748   1.911  11.296
  129   2HD   LYS  20          1HD       LYS  20   4.084   2.010  10.745
  130   1HE   LYS  20          2HE       LYS  20   5.931  -0.410  10.286
  131   2HE   LYS  20          1HE       LYS  20   4.656  -0.297  11.461
  132   1HZ   LYS  20          1HZ       LYS  20   3.428   0.517   9.095
  133   2HZ   LYS  20          2HZ       LYS  20   3.380  -1.057   9.826
  134   3HZ   LYS  20          3HZ       LYS  20   4.404  -0.762   8.633
  135    H    GLU  21           H        GLU  21   6.303  -0.528   7.402
  136    HA   GLU  21           HA       GLU  21   8.447  -2.375   7.379
  137   1HB   GLU  21          2HB       GLU  21   5.542  -2.462   6.628
  138   2HB   GLU  21          1HB       GLU  21   6.511  -3.926   6.611
  139   1HG   GLU  21          2HG       GLU  21   6.513  -4.077   8.932
  140   2HG   GLU  21          1HG       GLU  21   6.981  -2.420   9.155
  141    H    PHE  22           H        PHE  22   6.805  -0.947   4.595
  142    HA   PHE  22           HA       PHE  22   8.238  -2.737   2.712
  143   1HB   PHE  22          2HB       PHE  22   5.868  -1.601   2.332
  144   2HB   PHE  22          1HB       PHE  22   6.770  -0.130   1.973
  145    HD1  PHE  22           HD1      PHE  22   6.558  -3.736   1.178
  146    HD2  PHE  22           HD2      PHE  22   7.748   0.100  -0.218
  147    HE1  PHE  22           HE1      PHE  22   7.069  -4.704  -1.009
  148    HE2  PHE  22           HE2      PHE  22   8.257  -0.867  -2.423
  149    HZ   PHE  22           HZ       PHE  22   7.920  -3.292  -2.796
  150    H    ILE  23           H        ILE  23   8.338   0.629   3.766
  151    HA   ILE  23           HA       ILE  23  10.553   1.445   2.181
  152    HB   ILE  23           HB       ILE  23   9.028   2.668   4.258
  153   1HG1  ILE  23          2HG1      ILE  23  11.633   3.770   3.095
  154   2HG1  ILE  23          1HG1      ILE  23  10.153   3.653   2.161
  155   1HG2  ILE  23          1HG2      ILE  23  10.637   3.562   5.901
  156   2HG2  ILE  23          2HG2      ILE  23  11.960   2.676   5.177
  157   3HG2  ILE  23          3HG2      ILE  23  10.676   1.829   6.028
  158   1HD1  ILE  23          1HD1      ILE  23   8.981   5.110   3.834
  159   2HD1  ILE  23          2HD1      ILE  23  10.361   5.930   3.121
  160   3HD1  ILE  23          3HD1      ILE  23  10.471   5.273   4.738
  161    H    ALA  24           H        ALA  24  10.516  -0.084   5.335
  162    HA   ALA  24           HA       ALA  24  13.306  -0.475   5.762
  163   1HB   ALA  24          1HB       ALA  24  10.902  -2.234   6.555
  164   2HB   ALA  24          2HB       ALA  24  11.457  -0.851   7.470
  165   3HB   ALA  24          3HB       ALA  24  12.469  -2.284   7.341
  166    H    TRP  25           H        TRP  25  10.969  -2.867   4.532
  167    HA   TRP  25           HA       TRP  25  12.375  -4.939   3.554
  168   1HB   TRP  25          2HB       TRP  25  10.130  -5.170   2.816
  169   2HB   TRP  25          1HB       TRP  25   9.965  -3.446   2.757
  170    HD1  TRP  25           HD1      TRP  25   9.724  -2.383   0.280
  171    HE1  TRP  25           HE1      TRP  25  10.151  -3.437  -1.962
  172    HE3  TRP  25           HE3      TRP  25  11.551  -6.512   1.806
  173    HZ2  TRP  25           HZ2      TRP  25  11.249  -5.972  -3.082
  174    HZ3  TRP  25           HZ3      TRP  25  12.362  -8.409   0.288
  175    HH2  TRP  25           HH2      TRP  25  12.191  -8.093  -2.173
  176    H    LEU  26           H        LEU  26  11.851  -2.257   1.569
  177    HA   LEU  26           HA       LEU  26  13.445  -2.676  -0.650
  178   1HB   LEU  26          2HB       LEU  26  11.673  -1.128  -0.343
  179   2HB   LEU  26          1HB       LEU  26  12.579  -0.215   0.835
  180    HG   LEU  26           HG       LEU  26  14.229   0.424  -1.002
  181   1HD1  LEU  26          1HD1      LEU  26  13.808  -1.619  -2.460
  182   2HD1  LEU  26          2HD1      LEU  26  13.598  -0.104  -3.319
  183   3HD1  LEU  26          3HD1      LEU  26  12.195  -1.010  -2.780
  184   1HD2  LEU  26          1HD2      LEU  26  12.227   1.842  -0.514
  185   2HD2  LEU  26          2HD2      LEU  26  11.297   0.923  -1.688
  186   3HD2  LEU  26          3HD2      LEU  26  12.674   1.883  -2.207
  187    H    VAL  27           H        VAL  27  14.390  -1.570   2.279
  188    HA   VAL  27           HA       VAL  27  16.581  -1.920   3.347
  189    HB   VAL  27           HB       VAL  27  17.616  -0.767   0.696
  190   1HG1  VAL  27          1HG1      VAL  27  19.920  -1.190   1.641
  191   2HG1  VAL  27          2HG1      VAL  27  19.194  -1.672   3.157
  192   3HG1  VAL  27          3HG1      VAL  27  19.066  -0.018   2.607
  193   1HG2  VAL  27          1HG2      VAL  27  18.113  -3.475   2.129
  194   2HG2  VAL  27          2HG2      VAL  27  18.794  -3.090   0.568
  195   3HG2  VAL  27          3HG2      VAL  27  17.066  -3.354   0.752
  196    H    LYS  28           H        LYS  28  14.726  -0.448   3.830
  197    HA   LYS  28           HA       LYS  28  13.960   1.472   4.919
  198   1HB   LYS  28          2HB       LYS  28  16.907   2.227   4.821
  199   2HB   LYS  28          1HB       LYS  28  15.688   2.954   5.848
  200   1HG   LYS  28          2HG       LYS  28  15.266   0.640   6.883
  201   2HG   LYS  28          1HG       LYS  28  16.513  -0.004   5.843
  202   1HD   LYS  28          2HD       LYS  28  17.472   0.414   8.078
  203   2HD   LYS  28          1HD       LYS  28  18.238   1.411   6.855
  204   1HE   LYS  28          2HE       LYS  28  16.878   3.360   7.527
  205   2HE   LYS  28          1HE       LYS  28  16.003   2.372   8.694
  206   1HZ   LYS  28          1HZ       LYS  28  18.783   1.967   9.084
  207   2HZ   LYS  28          2HZ       LYS  28  17.705   2.693  10.165
  208   3HZ   LYS  28          3HZ       LYS  28  18.533   3.636   9.023
  209    H    GLY  29           H        GLY  29  14.437   1.640   1.840
  210   1HA   GLY  29          2HA       GLY  29  13.217   3.483   0.578
  211   2HA   GLY  29          1HA       GLY  29  13.860   4.627   1.730
  212    H    ARG  30           HN       ARG  30  15.216   2.216  -0.377
  213    HA   ARG  30           HA       ARG  30  16.891   4.195  -1.808
  214   1HB   ARG  30          2HB       ARG  30  18.155   3.203   0.087
  215   2HB   ARG  30          1HB       ARG  30  17.703   1.597  -0.406
  216   1HG   ARG  30          2HG       ARG  30  19.064   2.975  -2.619
  217   2HG   ARG  30          1HG       ARG  30  20.065   3.079  -1.186
  218   1HD   ARG  30          2HD       ARG  30  20.587   0.991  -2.474
  219   2HD   ARG  30          1HD       ARG  30  19.854   0.582  -0.902
  220    HE   ARG  30           HE       ARG  30  18.246   0.828  -3.478
  221   1HH1  ARG  30          1HH2      ARG  30  19.184  -1.421  -1.333
  222   2HH1  ARG  30          2HH2      ARG  30  17.547  -2.012  -1.099
  223   1HH2  ARG  30          1HH1      ARG  30  16.269   0.424  -2.991
  224   2HH2  ARG  30          2HH1      ARG  30  15.885  -0.998  -2.083
  Start of MODEL   10
    1   1H    HIS   1          1H        HIS   1 -17.912   1.596   0.876
    2   2H    HIS   1          2H        HIS   1 -17.618   2.480   2.238
    3   3H    HIS   1          3H        HIS   1 -16.383   2.282   1.140
    4    HA   HIS   1           HA       HIS   1 -18.231   4.353   1.286
    5   1HB   HIS   1          2HB       HIS   1 -16.458   3.648  -1.083
    6   2HB   HIS   1          1HB       HIS   1 -17.115   5.245  -0.774
    7    HD1  HIS   1           HD1      HIS   1 -16.078   5.307   2.259
    8    HD2  HIS   1           HD2      HIS   1 -13.900   4.333  -1.071
    9    HE1  HIS   1           HE1      HIS   1 -13.729   5.710   2.813
   10    H    ALA   2           H        ALA   2 -17.895   3.204  -2.048
   11    HA   ALA   2           HA       ALA   2 -20.100   4.114  -3.245
   12   1HB   ALA   2          1HB       ALA   2 -19.828   2.151  -4.796
   13   2HB   ALA   2          2HB       ALA   2 -18.880   1.312  -3.588
   14   3HB   ALA   2          3HB       ALA   2 -18.272   2.798  -4.307
   15    H    GLU   3           H        GLU   3 -20.240   1.352  -1.328
   16    HA   GLU   3           HA       GLU   3 -23.194   1.077  -1.473
   17   1HB   GLU   3          2HB       GLU   3 -22.346  -1.316  -0.527
   18   2HB   GLU   3          1HB       GLU   3 -22.337  -0.978  -2.252
   19   1HG   GLU   3          2HG       GLU   3 -20.108  -1.961  -1.397
   20   2HG   GLU   3          1HG       GLU   3 -19.875  -0.403  -2.131
   21    H    GLY   4           H        GLY   4 -20.614   1.619   0.516
   22   1HA   GLY   4          2HA       GLY   4 -21.414   2.945   2.709
   23   2HA   GLY   4          1HA       GLY   4 -22.044   1.358   3.124
   24    H    THR   5           H        THR   5 -20.436  -0.383   3.011
   25    HA   THR   5           HA       THR   5 -18.714  -0.919   4.806
   26    HB   THR   5           HB       THR   5 -17.921  -1.300   1.903
   27    HG1  THR   5           HG1      THR   5 -19.634  -2.333   2.318
   28   1HG2  THR   5          1HG2      THR   5 -15.978  -1.898   3.506
   29   2HG2  THR   5          2HG2      THR   5 -16.751  -3.247   2.703
   30   3HG2  THR   5          3HG2      THR   5 -17.138  -2.912   4.381
   31    H    PHE   6           H        PHE   6 -16.801  -0.714   5.739
   32    HA   PHE   6           HA       PHE   6 -15.375   1.806   5.654
   33   1HB   PHE   6          2HB       PHE   6 -14.134   0.736   7.523
   34   2HB   PHE   6          1HB       PHE   6 -15.842   0.595   7.682
   35    HD1  PHE   6           HD1      PHE   6 -14.853  -1.066   9.396
   36    HD2  PHE   6           HD2      PHE   6 -14.833  -1.804   5.218
   37    HE1  PHE   6           HE1      PHE   6 -14.659  -3.482   9.819
   38    HE2  PHE   6           HE2      PHE   6 -14.646  -4.205   5.628
   39    HZ   PHE   6           HZ       PHE   6 -14.561  -5.056   7.930
   40    H    THR   7           H        THR   7 -15.008   1.262   3.219
   41    HA   THR   7           HA       THR   7 -12.784  -0.298   2.331
   42    HB   THR   7           HB       THR   7 -12.884   1.615   0.361
   43    HG1  THR   7           HG1      THR   7 -14.127   3.130   1.323
   44   1HG2  THR   7          1HG2      THR   7 -15.452   0.123   1.115
   45   2HG2  THR   7          2HG2      THR   7 -14.139  -0.657   0.240
   46   3HG2  THR   7          3HG2      THR   7 -14.999   0.690  -0.475
   47    H    SER   8           H        SER   8 -13.029   3.033   3.247
   48    HA   SER   8           HA       SER   8 -10.376   3.953   2.839
   49   1HB   SER   8          2HB       SER   8 -11.196   5.282   5.205
   50   2HB   SER   8          1HB       SER   8 -11.675   5.792   3.583
   51    HG   SER   8           HG       SER   8 -13.137   4.243   5.480
   52    H    ASP   9           H        ASP   9 -11.833   2.934   5.715
   53    HA   ASP   9           HA       ASP   9  -9.833   2.645   7.584
   54   1HB   ASP   9          2HB       ASP   9 -12.210   0.778   7.115
   55   2HB   ASP   9          1HB       ASP   9 -11.447   1.054   8.657
   56    H    VAL  10           H        VAL  10 -11.047  -0.122   5.783
   57    HA   VAL  10           HA       VAL  10  -9.038  -2.004   6.274
   58    HB   VAL  10           HB       VAL  10 -10.756  -1.535   3.784
   59   1HG1  VAL  10          1HG1      VAL  10  -9.147  -4.043   4.534
   60   2HG1  VAL  10          2HG1      VAL  10  -8.772  -3.002   3.177
   61   3HG1  VAL  10          3HG1      VAL  10 -10.264  -3.920   3.190
   62   1HG2  VAL  10          1HG2      VAL  10 -11.932  -2.076   5.932
   63   2HG2  VAL  10          2HG2      VAL  10 -10.948  -3.516   6.109
   64   3HG2  VAL  10          3HG2      VAL  10 -12.084  -3.390   4.783
   65    H    SER  11           H        SER  11  -9.035  -0.088   3.293
   66    HA   SER  11           HA       SER  11  -6.429  -0.842   2.412
   67   1HB   SER  11          2HB       SER  11  -6.514   1.319   1.046
   68   2HB   SER  11          1HB       SER  11  -8.014   0.389   0.909
   69    HG   SER  11           HG       SER  11  -8.969   1.730   2.445
   70    H    SER  12           H        SER  12  -7.242   2.143   4.052
   71    HA   SER  12           HA       SER  12  -4.640   3.177   4.484
   72   1HB   SER  12          2HB       SER  12  -6.730   4.441   4.995
   73   2HB   SER  12          1HB       SER  12  -7.047   3.381   6.367
   74    HG   SER  12           HG       SER  12  -4.457   4.238   6.479
   75    H    TYR  13           H        TYR  13  -6.483   1.150   6.683
   76    HA   TYR  13           HA       TYR  13  -4.634   0.806   8.774
   77   1HB   TYR  13          2HB       TYR  13  -7.093   0.154   8.659
   78   2HB   TYR  13          1HB       TYR  13  -6.668  -1.206   7.651
   79    HD1  TYR  13           HD1      TYR  13  -4.775  -2.813   8.706
   80    HD2  TYR  13           HD2      TYR  13  -7.230  -0.141  10.935
   81    HE1  TYR  13           HE1      TYR  13  -4.364  -4.125  10.770
   82    HE2  TYR  13           HE2      TYR  13  -6.800  -1.479  12.977
   83    HH   TYR  13           HH       TYR  13  -5.159  -4.492  12.869
   84    H    LEU  14           H        LEU  14  -5.077  -1.249   5.921
   85    HA   LEU  14           HA       LEU  14  -2.889  -3.027   6.433
   86   1HB   LEU  14          2HB       LEU  14  -4.190  -2.082   3.825
   87   2HB   LEU  14          1HB       LEU  14  -3.076  -3.430   3.892
   88    HG   LEU  14           HG       LEU  14  -5.664  -3.319   5.537
   89   1HD1  LEU  14          1HD1      LEU  14  -6.108  -3.335   3.082
   90   2HD1  LEU  14          2HD1      LEU  14  -6.542  -4.868   3.813
   91   3HD1  LEU  14          3HD1      LEU  14  -5.053  -4.728   2.896
   92   1HD2  LEU  14          1HD2      LEU  14  -5.241  -5.757   5.725
   93   2HD2  LEU  14          2HD2      LEU  14  -3.856  -4.893   6.354
   94   3HD2  LEU  14          3HD2      LEU  14  -3.789  -5.609   4.755
   95    H    GLU  15           H        GLU  15  -2.918  -0.168   4.322
   96    HA   GLU  15           HA       GLU  15  -0.194  -0.114   3.598
   97   1HB   GLU  15          2HB       GLU  15  -1.932   1.438   2.722
   98   2HB   GLU  15          1HB       GLU  15  -1.954   2.303   4.255
   99   1HG   GLU  15          2HG       GLU  15  -0.358   3.374   2.523
  100   2HG   GLU  15          1HG       GLU  15   0.539   2.835   3.928
  101    H    GLY  16           H        GLY  16  -1.603   1.493   6.391
  102   1HA   GLY  16          2HA       GLY  16   0.402   2.704   7.787
  103   2HA   GLY  16          1HA       GLY  16  -0.731   1.677   8.647
  104    H    GLN  17           H        GLN  17   0.256  -0.667   7.382
  105    HA   GLN  17           HA       GLN  17   2.663  -1.217   9.061
  106   1HB   GLN  17          2HB       GLN  17   0.725  -3.091   7.589
  107   2HB   GLN  17          1HB       GLN  17   1.929  -3.595   8.759
  108   1HG   GLN  17          2HG       GLN  17   0.726  -2.591  10.608
  109   2HG   GLN  17          1HG       GLN  17  -0.234  -1.555   9.572
  110   1HE2  GLN  17          1HE2      GLN  17  -2.204  -2.319   8.913
  111   2HE2  GLN  17          2HE2      GLN  17  -2.729  -3.909   9.264
  112    H    ALA  18           H        ALA  18   1.431  -1.926   5.819
  113    HA   ALA  18           HA       ALA  18   3.779  -2.903   4.577
  114   1HB   ALA  18          1HB       ALA  18   1.474  -2.792   3.499
  115   2HB   ALA  18          2HB       ALA  18   2.679  -2.061   2.444
  116   3HB   ALA  18          3HB       ALA  18   1.637  -1.048   3.406
  117    H    ALA  19           H        ALA  19   2.722   0.452   4.562
  118    HA   ALA  19           HA       ALA  19   4.758   1.836   3.393
  119   1HB   ALA  19          1HB       ALA  19   4.109   3.709   4.975
  120   2HB   ALA  19          2HB       ALA  19   3.290   2.525   5.998
  121   3HB   ALA  19          3HB       ALA  19   2.713   2.834   4.376
  122    H    LYS  20           H        LYS  20   4.740   0.766   6.703
  123    HA   LYS  20           HA       LYS  20   7.432   1.637   7.376
  124   1HB   LYS  20          2HB       LYS  20   5.657   1.329   9.086
  125   2HB   LYS  20          1HB       LYS  20   5.490  -0.354   8.671
  126   1HG   LYS  20          2HG       LYS  20   8.233   0.637   9.502
  127   2HG   LYS  20          1HG       LYS  20   7.039   0.495  10.761
  128   1HD   LYS  20          2HD       LYS  20   7.492  -1.874   8.858
  129   2HD   LYS  20          1HD       LYS  20   8.607  -1.613  10.174
  130   1HE   LYS  20          2HE       LYS  20   6.579  -1.653  11.743
  131   2HE   LYS  20          1HE       LYS  20   5.617  -2.060  10.319
  132   1HZ   LYS  20          1HZ       LYS  20   6.196  -4.155  10.622
  133   2HZ   LYS  20          2HZ       LYS  20   7.404  -3.864  11.760
  134   3HZ   LYS  20          3HZ       LYS  20   7.656  -3.811  10.066
  135    H    GLU  21           H        GLU  21   6.154  -1.620   6.745
  136    HA   GLU  21           HA       GLU  21   8.616  -3.010   6.823
  137   1HB   GLU  21          2HB       GLU  21   6.387  -3.518   4.791
  138   2HB   GLU  21          1HB       GLU  21   7.562  -4.696   5.333
  139   1HG   GLU  21          2HG       GLU  21   5.299  -3.476   7.001
  140   2HG   GLU  21          1HG       GLU  21   5.464  -5.126   6.521
  141    H    PHE  22           H        PHE  22   7.273  -1.204   4.170
  142    HA   PHE  22           HA       PHE  22   9.473  -1.817   2.402
  143   1HB   PHE  22          2HB       PHE  22   6.948  -0.141   2.287
  144   2HB   PHE  22          1HB       PHE  22   8.167   0.045   1.025
  145    HD1  PHE  22           HD1      PHE  22   9.201  -2.224   0.162
  146    HD2  PHE  22           HD2      PHE  22   5.372  -1.906   1.998
  147    HE1  PHE  22           HE1      PHE  22   8.556  -4.337  -0.862
  148    HE2  PHE  22           HE2      PHE  22   4.716  -4.043   0.962
  149    HZ   PHE  22           HZ       PHE  22   6.319  -5.258  -0.470
  150    H    ILE  23           H        ILE  23   8.523   1.073   4.251
  151    HA   ILE  23           HA       ILE  23  10.343   2.849   3.411
  152    HB   ILE  23           HB       ILE  23   8.718   2.756   5.626
  153   1HG1  ILE  23          2HG1      ILE  23   9.341   4.850   4.600
  154   2HG1  ILE  23          1HG1      ILE  23   9.619   4.979   6.318
  155   1HG2  ILE  23          1HG2      ILE  23  10.302   1.485   7.094
  156   2HG2  ILE  23          2HG2      ILE  23  10.006   3.087   7.716
  157   3HG2  ILE  23          3HG2      ILE  23  11.505   2.735   6.886
  158   1HD1  ILE  23          1HD1      ILE  23  11.529   5.968   5.060
  159   2HD1  ILE  23          2HD1      ILE  23  11.809   4.458   4.227
  160   3HD1  ILE  23          3HD1      ILE  23  12.088   4.569   5.951
  161    H    ALA  24           H        ALA  24  10.990   0.298   5.583
  162    HA   ALA  24           HA       ALA  24  13.898   0.733   5.769
  163   1HB   ALA  24          1HB       ALA  24  12.488  -0.175   7.633
  164   2HB   ALA  24          2HB       ALA  24  13.728  -1.334   7.192
  165   3HB   ALA  24          3HB       ALA  24  12.071  -1.556   6.631
  166    H    TRP  25           H        TRP  25  11.811  -1.667   4.149
  167    HA   TRP  25           HA       TRP  25  13.563  -3.381   2.856
  168   1HB   TRP  25          2HB       TRP  25  11.000  -3.240   2.628
  169   2HB   TRP  25          1HB       TRP  25  11.242  -1.987   1.432
  170    HD1  TRP  25           HD1      TRP  25  11.001  -5.567   1.889
  171    HE1  TRP  25           HE1      TRP  25  11.527  -6.740  -0.319
  172    HE3  TRP  25           HE3      TRP  25  12.889  -1.763  -0.746
  173    HZ2  TRP  25           HZ2      TRP  25  12.578  -6.195  -2.872
  174    HZ3  TRP  25           HZ3      TRP  25  13.663  -2.055  -3.071
  175    HH2  TRP  25           HH2      TRP  25  13.505  -4.275  -4.153
  176    H    LEU  26           H        LEU  26  12.487  -0.431   1.629
  177    HA   LEU  26           HA       LEU  26  13.960  -0.009  -0.722
  178   1HB   LEU  26          2HB       LEU  26  12.668   1.921   1.250
  179   2HB   LEU  26          1HB       LEU  26  13.043   2.319  -0.417
  180    HG   LEU  26           HG       LEU  26  11.213  -0.048   0.361
  181   1HD1  LEU  26          1HD1      LEU  26  10.437   2.767  -0.452
  182   2HD1  LEU  26          2HD1      LEU  26  10.261   2.063   1.148
  183   3HD1  LEU  26          3HD1      LEU  26   9.339   1.418  -0.196
  184   1HD2  LEU  26          1HD2      LEU  26  12.196  -0.151  -1.921
  185   2HD2  LEU  26          2HD2      LEU  26  11.540   1.436  -2.268
  186   3HD2  LEU  26          3HD2      LEU  26  10.470   0.076  -1.950
  187    H    VAL  27           H        VAL  27  15.314   0.131   2.335
  188    HA   VAL  27           HA       VAL  27  17.647   1.670   1.202
  189    HB   VAL  27           HB       VAL  27  18.079   2.439   3.622
  190   1HG1  VAL  27          1HG1      VAL  27  16.986   3.923   1.936
  191   2HG1  VAL  27          2HG1      VAL  27  16.318   4.223   3.526
  192   3HG1  VAL  27          3HG1      VAL  27  15.416   3.271   2.363
  193   1HG2  VAL  27          1HG2      VAL  27  16.154   2.428   5.183
  194   2HG2  VAL  27          2HG2      VAL  27  16.573   0.774   4.784
  195   3HG2  VAL  27          3HG2      VAL  27  15.187   1.546   4.021
  196    H    LYS  28           H        LYS  28  16.642  -0.883   3.410
  197    HA   LYS  28           HA       LYS  28  19.252  -2.218   2.814
  198   1HB   LYS  28          2HB       LYS  28  19.728  -2.571   5.173
  199   2HB   LYS  28          1HB       LYS  28  19.558  -0.884   4.804
  200   1HG   LYS  28          2HG       LYS  28  18.399  -1.073   6.854
  201   2HG   LYS  28          1HG       LYS  28  17.112  -1.084   5.659
  202   1HD   LYS  28          2HD       LYS  28  16.695  -3.408   5.869
  203   2HD   LYS  28          1HD       LYS  28  18.292  -3.757   6.484
  204   1HE   LYS  28          2HE       LYS  28  17.699  -2.641   8.617
  205   2HE   LYS  28          1HE       LYS  28  16.101  -2.277   7.959
  206   1HZ   LYS  28          1HZ       LYS  28  16.464  -4.987   7.444
  207   2HZ   LYS  28          2HZ       LYS  28  15.436  -4.320   8.436
  208   3HZ   LYS  28          3HZ       LYS  28  16.927  -4.802   9.067
  209    H    GLY  29           H        GLY  29  16.425  -3.049   2.080
  210   1HA   GLY  29          2HA       GLY  29  15.902  -5.379   1.504
  211   2HA   GLY  29          1HA       GLY  29  16.784  -5.923   2.901
  212    H    ARG  30           HN       ARG  30  15.458  -4.343   4.727
  213    HA   ARG  30           HA       ARG  30  12.863  -4.121   5.170
  214   1HB   ARG  30          2HB       ARG  30  13.351  -7.032   4.705
  215   2HB   ARG  30          1HB       ARG  30  12.682  -6.812   6.266
  216   1HG   ARG  30          2HG       ARG  30  11.229  -5.177   4.232
  217   2HG   ARG  30          1HG       ARG  30  11.286  -6.862   3.815
  218   1HD   ARG  30          2HD       ARG  30   9.167  -6.402   5.035
  219   2HD   ARG  30          1HD       ARG  30  10.170  -7.488   5.964
  220    HE   ARG  30           HE       ARG  30   9.199  -5.298   7.268
  221   1HH1  ARG  30          1HH1      ARG  30  11.466  -6.458   8.266
  222   2HH1  ARG  30          2HH1      ARG  30  12.650  -5.184   8.306
  223   1HH2  ARG  30          1HH2      ARG  30  10.683  -3.353   6.208
  224   2HH2  ARG  30          2HH2      ARG  30  12.139  -3.347   7.176
  Start of MODEL   11
    1   1H    HIS   1          1H        HIS   1  -9.157   1.352  14.813
    2   2H    HIS   1          2H        HIS   1  -8.219   1.310  13.376
    3   3H    HIS   1          3H        HIS   1  -8.652  -0.130  14.135
    4    HA   HIS   1           HA       HIS   1  -9.994   1.335  12.188
    5   1HB   HIS   1          2HB       HIS   1 -11.644  -0.868  13.454
    6   2HB   HIS   1          1HB       HIS   1 -10.951  -0.876  11.856
    7    HD1  HIS   1           HD1      HIS   1 -10.324  -2.088  15.216
    8    HD2  HIS   1           HD2      HIS   1  -8.294  -1.843  11.680
    9    HE1  HIS   1           HE1      HIS   1  -8.309  -3.539  15.451
   10    H    ALA   2           H        ALA   2 -12.229   1.800  12.096
   11    HA   ALA   2           HA       ALA   2 -13.489   2.734  14.685
   12   1HB   ALA   2          1HB       ALA   2 -14.059   4.903  13.467
   13   2HB   ALA   2          2HB       ALA   2 -13.202   4.344  12.037
   14   3HB   ALA   2          3HB       ALA   2 -12.324   4.678  13.513
   15    H    GLU   3           H        GLU   3 -14.880   3.457  11.616
   16    HA   GLU   3           HA       GLU   3 -16.957   1.304  11.931
   17   1HB   GLU   3          2HB       GLU   3 -17.495   3.884  11.766
   18   2HB   GLU   3          1HB       GLU   3 -16.904   3.792  10.115
   19   1HG   GLU   3          2HG       GLU   3 -18.643   2.189   9.507
   20   2HG   GLU   3          1HG       GLU   3 -19.185   2.050  11.175
   21    H    GLY   4           H        GLY   4 -14.860   0.313  11.567
   22   1HA   GLY   4          2HA       GLY   4 -13.954   0.076   8.736
   23   2HA   GLY   4          1HA       GLY   4 -13.033  -0.348  10.128
   24    H    THR   5           H        THR   5 -12.333  -1.769   8.987
   25    HA   THR   5           HA       THR   5 -11.921  -4.216   9.186
   26    HB   THR   5           HB       THR   5 -14.901  -4.500   8.235
   27    HG1  THR   5           HG1      THR   5 -14.945  -4.151  10.353
   28   1HG2  THR   5          1HG2      THR   5 -13.131  -6.510   7.762
   29   2HG2  THR   5          2HG2      THR   5 -14.499  -6.860   8.810
   30   3HG2  THR   5          3HG2      THR   5 -12.938  -6.493   9.499
   31    H    PHE   6           H        PHE   6 -13.494  -5.236   6.503
   32    HA   PHE   6           HA       PHE   6 -11.460  -3.945   4.790
   33   1HB   PHE   6          2HB       PHE   6 -13.736  -5.966   4.103
   34   2HB   PHE   6          1HB       PHE   6 -12.442  -5.552   3.011
   35    HD1  PHE   6           HD1      PHE   6 -10.073  -6.171   3.628
   36    HD2  PHE   6           HD2      PHE   6 -13.430  -7.674   5.752
   37    HE1  PHE   6           HE1      PHE   6  -8.677  -7.969   4.553
   38    HE2  PHE   6           HE2      PHE   6 -12.036  -9.475   6.681
   39    HZ   PHE   6           HZ       PHE   6  -9.659  -9.623   6.079
   40    H    THR   7           H        THR   7 -13.194  -2.222   5.823
   41    HA   THR   7           HA       THR   7 -14.328  -0.992   3.368
   42    HB   THR   7           HB       THR   7 -16.370  -1.654   4.610
   43    HG1  THR   7           HG1      THR   7 -16.139   0.819   5.746
   44   1HG2  THR   7          1HG2      THR   7 -15.283  -1.995   6.933
   45   2HG2  THR   7          2HG2      THR   7 -16.750  -1.042   6.944
   46   3HG2  THR   7          3HG2      THR   7 -15.209  -0.245   7.080
   47    H    SER   8           H        SER   8 -12.535   0.122   3.123
   48    HA   SER   8           HA       SER   8 -11.241   2.134   3.244
   49   1HB   SER   8          2HB       SER   8 -13.384   3.244   4.100
   50   2HB   SER   8          1HB       SER   8 -12.812   2.938   5.747
   51    HG   SER   8           HG       SER   8 -11.374   4.513   5.430
   52    H    ASP   9           H        ASP   9 -11.838   0.877   6.501
   53    HA   ASP   9           HA       ASP   9  -9.529   1.707   7.851
   54   1HB   ASP   9          2HB       ASP   9 -11.805   0.133   8.296
   55   2HB   ASP   9          1HB       ASP   9 -10.519  -1.063   8.454
   56    H    VAL  10           H        VAL  10  -9.877  -1.499   6.527
   57    HA   VAL  10           HA       VAL  10  -7.334  -2.523   6.523
   58    HB   VAL  10           HB       VAL  10  -9.704  -2.688   4.594
   59   1HG1  VAL  10          1HG1      VAL  10  -7.611  -3.100   3.152
   60   2HG1  VAL  10          2HG1      VAL  10  -8.541  -4.562   3.382
   61   3HG1  VAL  10          3HG1      VAL  10  -7.085  -4.296   4.318
   62   1HG2  VAL  10          1HG2      VAL  10  -9.690  -5.003   5.605
   63   2HG2  VAL  10          2HG2      VAL  10  -9.580  -3.816   6.885
   64   3HG2  VAL  10          3HG2      VAL  10  -8.158  -4.678   6.368
   65    H    SER  11           H        SER  11  -8.505  -0.381   4.059
   66    HA   SER  11           HA       SER  11  -6.056  -0.160   2.489
   67   1HB   SER  11          2HB       SER  11  -8.473   0.644   1.788
   68   2HB   SER  11          1HB       SER  11  -8.072   2.126   2.687
   69    HG   SER  11           HG       SER  11  -6.477   2.535   1.401
   70    H    SER  12           H        SER  12  -7.517   2.125   4.744
   71    HA   SER  12           HA       SER  12  -5.496   4.015   5.013
   72   1HB   SER  12          2HB       SER  12  -7.622   4.153   6.325
   73   2HB   SER  12          1HB       SER  12  -7.069   2.841   7.378
   74    HG   SER  12           HG       SER  12  -5.199   4.864   6.925
   75    H    TYR  13           H        TYR  13  -5.661   0.970   6.747
   76    HA   TYR  13           HA       TYR  13  -3.219   1.195   8.243
   77   1HB   TYR  13          2HB       TYR  13  -4.711  -0.814   8.576
   78   2HB   TYR  13          1HB       TYR  13  -4.385  -1.358   6.939
   79    HD1  TYR  13           HD1      TYR  13  -1.926  -1.956   6.316
   80    HD2  TYR  13           HD2      TYR  13  -3.170  -1.360  10.344
   81    HE1  TYR  13           HE1      TYR  13   0.117  -3.079   7.116
   82    HE2  TYR  13           HE2      TYR  13  -1.102  -2.509  11.105
   83    HH   TYR  13           HH       TYR  13   1.416  -3.452   8.899
   84    H    LEU  14           H        LEU  14  -3.646  -0.338   5.096
   85    HA   LEU  14           HA       LEU  14  -0.946  -0.738   4.368
   86   1HB   LEU  14          2HB       LEU  14  -3.197  -1.371   3.181
   87   2HB   LEU  14          1HB       LEU  14  -3.175   0.222   2.482
   88    HG   LEU  14           HG       LEU  14  -0.835  -1.703   2.097
   89   1HD1  LEU  14          1HD1      LEU  14  -3.303  -1.213   0.354
   90   2HD1  LEU  14          2HD1      LEU  14  -2.987  -2.689   1.247
   91   3HD1  LEU  14          3HD1      LEU  14  -1.939  -2.230  -0.081
   92   1HD2  LEU  14          1HD2      LEU  14  -1.909   0.698   0.516
   93   2HD2  LEU  14          2HD2      LEU  14  -0.470  -0.225   0.115
   94   3HD2  LEU  14          3HD2      LEU  14  -0.504   0.769   1.553
   95    H    GLU  15           H        GLU  15  -2.889   2.099   3.595
   96    HA   GLU  15           HA       GLU  15  -1.017   3.850   2.492
   97   1HB   GLU  15          2HB       GLU  15  -3.286   4.467   4.437
   98   2HB   GLU  15          1HB       GLU  15  -2.496   5.676   3.465
   99   1HG   GLU  15          2HG       GLU  15  -3.350   4.739   1.403
  100   2HG   GLU  15          1HG       GLU  15  -3.801   3.229   2.168
  101    H    GLY  16           H        GLY  16  -1.722   3.638   5.895
  102   1HA   GLY  16          2HA       GLY  16   0.513   5.366   6.726
  103   2HA   GLY  16          1HA       GLY  16  -0.582   4.537   7.812
  104    H    GLN  17           H        GLN  17   0.267   1.995   6.309
  105    HA   GLN  17           HA       GLN  17   2.830   1.582   7.808
  106   1HB   GLN  17          2HB       GLN  17   0.323   0.058   7.726
  107   2HB   GLN  17          1HB       GLN  17   1.646  -0.962   7.256
  108   1HG   GLN  17          2HG       GLN  17   1.391   0.596   9.885
  109   2HG   GLN  17          1HG       GLN  17   1.446  -1.140   9.678
  110   1HE2  GLN  17          1HE2      GLN  17   3.462  -2.106   9.137
  111   2HE2  GLN  17          2HE2      GLN  17   4.930  -1.325   9.498
  112    H    ALA  18           H        ALA  18   1.290   0.155   4.965
  113    HA   ALA  18           HA       ALA  18   3.235  -1.305   3.741
  114   1HB   ALA  18          1HB       ALA  18   1.593   0.876   2.363
  115   2HB   ALA  18          2HB       ALA  18   1.044  -0.753   2.731
  116   3HB   ALA  18          3HB       ALA  18   2.320  -0.509   1.551
  117    H    ALA  19           H        ALA  19   3.120   2.110   3.492
  118    HA   ALA  19           HA       ALA  19   5.436   2.723   2.006
  119   1HB   ALA  19          1HB       ALA  19   4.294   4.191   4.461
  120   2HB   ALA  19          2HB       ALA  19   3.740   4.406   2.815
  121   3HB   ALA  19          3HB       ALA  19   5.352   4.928   3.268
  122    H    LYS  20           H        LYS  20   5.283   2.414   5.503
  123    HA   LYS  20           HA       LYS  20   8.144   2.470   5.964
  124   1HB   LYS  20          2HB       LYS  20   6.106   1.059   7.749
  125   2HB   LYS  20          1HB       LYS  20   7.652   1.726   8.230
  126   1HG   LYS  20          2HG       LYS  20   6.583   4.018   7.415
  127   2HG   LYS  20          1HG       LYS  20   5.062   3.149   7.583
  128   1HD   LYS  20          2HD       LYS  20   6.073   2.424   9.981
  129   2HD   LYS  20          1HD       LYS  20   7.162   3.764   9.732
  130   1HE   LYS  20          2HE       LYS  20   5.401   4.737  10.958
  131   2HE   LYS  20          1HE       LYS  20   5.025   5.186   9.289
  132   1HZ   LYS  20          1HZ       LYS  20   3.177   3.875   9.340
  133   2HZ   LYS  20          2HZ       LYS  20   3.433   3.565  10.985
  134   3HZ   LYS  20          3HZ       LYS  20   4.055   2.561   9.807
  135    H    GLU  21           H        GLU  21   5.855  -0.169   5.946
  136    HA   GLU  21           HA       GLU  21   7.464  -2.408   6.355
  137   1HB   GLU  21          2HB       GLU  21   5.079  -2.061   4.453
  138   2HB   GLU  21          1HB       GLU  21   5.634  -3.610   5.048
  139   1HG   GLU  21          2HG       GLU  21   5.197  -2.912   7.414
  140   2HG   GLU  21          1HG       GLU  21   4.729  -1.308   6.917
  141    H    PHE  22           H        PHE  22   7.036  -0.730   3.275
  142    HA   PHE  22           HA       PHE  22   8.888  -2.492   1.827
  143   1HB   PHE  22          2HB       PHE  22   6.874  -1.333   0.767
  144   2HB   PHE  22          1HB       PHE  22   7.675   0.214   1.009
  145    HD1  PHE  22           HD1      PHE  22   9.807   0.708  -0.183
  146    HD2  PHE  22           HD2      PHE  22   7.692  -2.919  -0.836
  147    HE1  PHE  22           HE1      PHE  22  11.172   0.273  -2.186
  148    HE2  PHE  22           HE2      PHE  22   9.047  -3.362  -2.826
  149    HZ   PHE  22           HZ       PHE  22  10.785  -1.787  -3.492
  150    H    ILE  23           H        ILE  23   8.949   0.905   3.044
  151    HA   ILE  23           HA       ILE  23  11.481   1.575   2.214
  152    HB   ILE  23           HB       ILE  23   9.968   2.212   4.792
  153   1HG1  ILE  23          2HG1      ILE  23  10.826   4.006   2.474
  154   2HG1  ILE  23          1HG1      ILE  23   9.303   3.154   2.493
  155   1HG2  ILE  23          1HG2      ILE  23  11.686   3.978   5.325
  156   2HG2  ILE  23          2HG2      ILE  23  12.669   3.439   3.980
  157   3HG2  ILE  23          3HG2      ILE  23  12.418   2.401   5.372
  158   1HD1  ILE  23          1HD1      ILE  23   8.991   5.479   3.310
  159   2HD1  ILE  23          2HD1      ILE  23  10.183   5.237   4.569
  160   3HD1  ILE  23          3HD1      ILE  23   8.669   4.350   4.610
  161    H    ALA  24           H        ALA  24  10.597  -0.210   5.013
  162    HA   ALA  24           HA       ALA  24  13.119  -0.873   6.174
  163   1HB   ALA  24          1HB       ALA  24  10.857  -1.160   7.268
  164   2HB   ALA  24          2HB       ALA  24  11.738  -2.681   7.295
  165   3HB   ALA  24          3HB       ALA  24  10.460  -2.418   6.122
  166    H    TRP  25           H        TRP  25  11.070  -2.910   4.121
  167    HA   TRP  25           HA       TRP  25  12.504  -5.083   3.439
  168   1HB   TRP  25          2HB       TRP  25  10.621  -5.068   2.046
  169   2HB   TRP  25          1HB       TRP  25  10.565  -3.342   2.094
  170    HD1  TRP  25           HD1      TRP  25  11.583  -1.961  -0.014
  171    HE1  TRP  25           HE1      TRP  25  12.335  -2.881  -2.246
  172    HE3  TRP  25           HE3      TRP  25  11.662  -6.679   1.091
  173    HZ2  TRP  25           HZ2      TRP  25  12.944  -5.451  -3.510
  174    HZ3  TRP  25           HZ3      TRP  25  12.316  -8.502  -0.547
  175    HH2  TRP  25           HH2      TRP  25  12.955  -7.856  -2.858
  176    H    LEU  26           H        LEU  26  13.071  -2.145   1.806
  177    HA   LEU  26           HA       LEU  26  15.411  -3.036   0.318
  178   1HB   LEU  26          2HB       LEU  26  13.898  -1.684  -0.716
  179   2HB   LEU  26          1HB       LEU  26  13.706  -0.595   0.620
  180    HG   LEU  26           HG       LEU  26  16.353  -0.669  -0.912
  181   1HD1  LEU  26          1HD1      LEU  26  15.365   1.088  -2.404
  182   2HD1  LEU  26          2HD1      LEU  26  13.815   0.904  -1.607
  183   3HD1  LEU  26          3HD1      LEU  26  14.465  -0.408  -2.568
  184   1HD2  LEU  26          1HD2      LEU  26  14.671   1.514   0.441
  185   2HD2  LEU  26          2HD2      LEU  26  16.292   1.748  -0.177
  186   3HD2  LEU  26          3HD2      LEU  26  16.014   0.726   1.232
  187    H    VAL  27           H        VAL  27  15.428  -2.366   3.349
  188    HA   VAL  27           HA       VAL  27  17.221  -2.411   4.916
  189    HB   VAL  27           HB       VAL  27  18.900  -0.935   2.735
  190   1HG1  VAL  27          1HG1      VAL  27  19.623  -0.458   5.049
  191   2HG1  VAL  27          2HG1      VAL  27  20.804  -1.418   4.206
  192   3HG1  VAL  27          3HG1      VAL  27  19.749  -2.180   5.380
  193   1HG2  VAL  27          1HG2      VAL  27  19.089  -3.834   3.732
  194   2HG2  VAL  27          2HG2      VAL  27  20.135  -3.106   2.531
  195   3HG2  VAL  27          3HG2      VAL  27  18.443  -3.402   2.168
  196    H    LYS  28           H        LYS  28  15.253  -1.145   5.262
  197    HA   LYS  28           HA       LYS  28  14.040   0.913   5.584
  198   1HB   LYS  28          2HB       LYS  28  15.180   2.086   7.522
  199   2HB   LYS  28          1HB       LYS  28  14.927   0.381   7.716
  200   1HG   LYS  28          2HG       LYS  28  17.049   0.567   8.588
  201   2HG   LYS  28          1HG       LYS  28  17.465   0.153   6.957
  202   1HD   LYS  28          2HD       LYS  28  17.223   3.101   7.645
  203   2HD   LYS  28          1HD       LYS  28  18.621   2.237   8.247
  204   1HE   LYS  28          2HE       LYS  28  19.039   1.505   5.850
  205   2HE   LYS  28          1HE       LYS  28  17.828   2.664   5.345
  206   1HZ   LYS  28          1HZ       LYS  28  20.422   3.172   5.861
  207   2HZ   LYS  28          2HZ       LYS  28  19.627   3.950   7.173
  208   3HZ   LYS  28          3HZ       LYS  28  19.318   4.242   5.516
  209    H    GLY  29           H        GLY  29  15.318   1.198   3.159
  210   1HA   GLY  29          2HA       GLY  29  15.238   3.235   1.718
  211   2HA   GLY  29          1HA       GLY  29  15.619   4.196   3.102
  212    H    ARG  30           HN       ARG  30  17.923   2.090   3.318
  213    HA   ARG  30           HA       ARG  30  20.075   1.733   2.095
  214   1HB   ARG  30          2HB       ARG  30  19.732   4.766   1.604
  215   2HB   ARG  30          1HB       ARG  30  21.277   4.001   1.520
  216   1HG   ARG  30          2HG       ARG  30  18.941   3.497  -0.406
  217   2HG   ARG  30          1HG       ARG  30  20.411   4.355  -0.736
  218   1HD   ARG  30          2HD       ARG  30  21.493   2.451  -1.294
  219   2HD   ARG  30          1HD       ARG  30  21.211   1.782   0.306
  220    HE   ARG  30           HE       ARG  30  19.329   1.464  -2.053
  221   1HH1  ARG  30          1HH2      ARG  30  18.547   1.912   0.764
  222   2HH1  ARG  30          2HH2      ARG  30  18.029   0.309   1.224
  223   1HH2  ARG  30          1HH1      ARG  30  19.588  -1.021  -1.498
  224   2HH2  ARG  30          2HH1      ARG  30  18.621  -1.306  -0.070
  Start of MODEL   12
    1   1H    HIS   1          1H        HIS   1 -20.670  -1.760  14.179
    2   2H    HIS   1          2H        HIS   1 -19.508  -2.892  13.770
    3   3H    HIS   1          3H        HIS   1 -20.995  -3.411  14.476
    4    HA   HIS   1           HA       HIS   1 -20.290  -3.136  11.806
    5   1HB   HIS   1          2HB       HIS   1 -21.969  -4.798  12.707
    6   2HB   HIS   1          1HB       HIS   1 -23.126  -3.461  12.828
    7    HD1  HIS   1           HD1      HIS   1 -20.704  -3.398   9.964
    8    HD2  HIS   1           HD2      HIS   1 -24.595  -4.558  10.648
    9    HE1  HIS   1           HE1      HIS   1 -21.745  -3.761   7.780
   10    H    ALA   2           H        ALA   2 -21.312  -1.734  10.239
   11    HA   ALA   2           HA       ALA   2 -22.767   0.086   9.479
   12   1HB   ALA   2          1HB       ALA   2 -22.837   2.190  10.863
   13   2HB   ALA   2          2HB       ALA   2 -21.761   1.489  12.057
   14   3HB   ALA   2          3HB       ALA   2 -23.387   0.856  11.858
   15    H    GLU   3           H        GLU   3 -19.773   0.615  11.259
   16    HA   GLU   3           HA       GLU   3 -18.281   2.465  10.036
   17   1HB   GLU   3          2HB       GLU   3 -16.268   1.018  10.340
   18   2HB   GLU   3          1HB       GLU   3 -17.334   0.932  11.719
   19   1HG   GLU   3          2HG       GLU   3 -17.086  -1.239   9.529
   20   2HG   GLU   3          1HG       GLU   3 -16.459  -1.312  11.137
   21    H    GLY   4           H        GLY   4 -18.573  -0.656   8.586
   22   1HA   GLY   4          2HA       GLY   4 -17.260  -0.938   6.290
   23   2HA   GLY   4          1HA       GLY   4 -19.003  -1.110   6.178
   24    H    THR   5           H        THR   5 -19.772   1.453   6.377
   25    HA   THR   5           HA       THR   5 -19.914   2.515   3.818
   26    HB   THR   5           HB       THR   5 -20.247   4.833   4.788
   27    HG1  THR   5           HG1      THR   5 -18.899   3.492   6.876
   28   1HG2  THR   5          1HG2      THR   5 -22.081   3.076   5.248
   29   2HG2  THR   5          2HG2      THR   5 -21.906   4.308   6.490
   30   3HG2  THR   5          3HG2      THR   5 -21.248   2.714   6.754
   31    H    PHE   6           H        PHE   6 -17.200   3.070   5.927
   32    HA   PHE   6           HA       PHE   6 -15.841   4.672   3.773
   33   1HB   PHE   6          2HB       PHE   6 -16.153   5.641   6.110
   34   2HB   PHE   6          1HB       PHE   6 -15.045   4.406   6.690
   35    HD1  PHE   6           HD1      PHE   6 -15.191   6.925   3.904
   36    HD2  PHE   6           HD2      PHE   6 -12.819   5.045   6.873
   37    HE1  PHE   6           HE1      PHE   6 -13.279   8.330   3.258
   38    HE2  PHE   6           HE2      PHE   6 -10.902   6.441   6.245
   39    HZ   PHE   6           HZ       PHE   6 -11.126   8.094   4.427
   40    H    THR   7           H        THR   7 -15.927   1.727   3.781
   41    HA   THR   7           HA       THR   7 -14.058  -0.007   4.208
   42    HB   THR   7           HB       THR   7 -15.476  -0.256   2.168
   43    HG1  THR   7           HG1      THR   7 -12.866  -0.945   2.508
   44   1HG2  THR   7          1HG2      THR   7 -14.754   1.960   1.021
   45   2HG2  THR   7          2HG2      THR   7 -14.593   0.519   0.031
   46   3HG2  THR   7          3HG2      THR   7 -13.176   1.219   0.776
   47    H    SER   8           H        SER   8 -12.905   2.843   2.548
   48    HA   SER   8           HA       SER   8 -10.271   2.112   1.866
   49   1HB   SER   8          2HB       SER   8 -11.328   4.733   3.046
   50   2HB   SER   8          1HB       SER   8  -9.682   4.568   2.385
   51    HG   SER   8           HG       SER   8 -10.550   4.517   0.409
   52    H    ASP   9           H        ASP   9 -11.695   2.782   4.943
   53    HA   ASP   9           HA       ASP   9  -9.548   3.027   6.712
   54   1HB   ASP   9          2HB       ASP   9 -11.354   2.458   8.332
   55   2HB   ASP   9          1HB       ASP   9 -12.200   3.089   6.935
   56    H    VAL  10           H        VAL  10 -11.072  -0.003   5.723
   57    HA   VAL  10           HA       VAL  10  -9.252  -1.885   6.851
   58    HB   VAL  10           HB       VAL  10 -10.760  -2.059   4.162
   59   1HG1  VAL  10          1HG1      VAL  10  -9.020  -3.881   4.465
   60   2HG1  VAL  10          2HG1      VAL  10 -10.648  -4.537   4.531
   61   3HG1  VAL  10          3HG1      VAL  10  -9.743  -4.282   6.014
   62   1HG2  VAL  10          1HG2      VAL  10 -12.261  -1.593   6.090
   63   2HG2  VAL  10          2HG2      VAL  10 -11.595  -2.947   6.961
   64   3HG2  VAL  10          3HG2      VAL  10 -12.526  -3.217   5.496
   65    H    SER  11           H        SER  11  -9.148  -0.302   3.790
   66    HA   SER  11           HA       SER  11  -6.671  -1.413   2.753
   67   1HB   SER  11          2HB       SER  11  -8.417   0.395   1.676
   68   2HB   SER  11          1HB       SER  11  -7.167   1.528   2.215
   69    HG   SER  11           HG       SER  11  -5.893   0.745   0.734
   70    H    SER  12           H        SER  12  -7.164   1.598   4.440
   71    HA   SER  12           HA       SER  12  -4.594   2.523   4.987
   72   1HB   SER  12          2HB       SER  12  -6.512   3.782   5.745
   73   2HB   SER  12          1HB       SER  12  -6.986   2.540   6.906
   74    HG   SER  12           HG       SER  12  -5.461   3.257   8.232
   75    H    TYR  13           H        TYR  13  -6.310   0.212   7.003
   76    HA   TYR  13           HA       TYR  13  -4.365  -0.363   8.961
   77   1HB   TYR  13          2HB       TYR  13  -6.441  -2.101   7.592
   78   2HB   TYR  13          1HB       TYR  13  -5.266  -2.913   8.616
   79    HD1  TYR  13           HD1      TYR  13  -8.079  -0.569   8.557
   80    HD2  TYR  13           HD2      TYR  13  -5.035  -2.304  10.962
   81    HE1  TYR  13           HE1      TYR  13  -9.209   0.228  10.566
   82    HE2  TYR  13           HE2      TYR  13  -6.185  -1.502  12.986
   83    HH   TYR  13           HH       TYR  13  -9.341  -0.119  12.822
   84    H    LEU  14           H        LEU  14  -4.370  -1.368   5.707
   85    HA   LEU  14           HA       LEU  14  -1.802  -2.865   5.950
   86   1HB   LEU  14          2HB       LEU  14  -3.804  -2.403   3.679
   87   2HB   LEU  14          1HB       LEU  14  -2.253  -3.133   3.372
   88    HG   LEU  14           HG       LEU  14  -2.825  -4.972   5.007
   89   1HD1  LEU  14          1HD1      LEU  14  -5.559  -3.623   4.978
   90   2HD1  LEU  14          2HD1      LEU  14  -4.514  -3.742   6.379
   91   3HD1  LEU  14          3HD1      LEU  14  -5.210  -5.185   5.690
   92   1HD2  LEU  14          1HD2      LEU  14  -3.276  -5.186   2.554
   93   2HD2  LEU  14          2HD2      LEU  14  -4.851  -4.451   2.783
   94   3HD2  LEU  14          3HD2      LEU  14  -4.507  -6.021   3.487
   95    H    GLU  15           H        GLU  15  -3.028  -0.165   3.955
   96    HA   GLU  15           HA       GLU  15  -0.536   0.793   2.946
   97   1HB   GLU  15          2HB       GLU  15  -2.897   2.609   3.674
   98   2HB   GLU  15          1HB       GLU  15  -1.742   2.844   2.397
   99   1HG   GLU  15          2HG       GLU  15  -2.742   1.162   1.014
  100   2HG   GLU  15          1HG       GLU  15  -3.619   0.420   2.327
  101    H    GLY  16           H        GLY  16  -2.396   2.242   5.417
  102   1HA   GLY  16          2HA       GLY  16  -0.851   4.171   6.659
  103   2HA   GLY  16          1HA       GLY  16  -1.974   3.161   7.571
  104    H    GLN  17           H        GLN  17  -0.764   0.835   7.132
  105    HA   GLN  17           HA       GLN  17   1.416   0.821   9.158
  106   1HB   GLN  17          2HB       GLN  17  -0.500  -0.761   9.281
  107   2HB   GLN  17          1HB       GLN  17  -0.182  -1.360   7.683
  108   1HG   GLN  17          2HG       GLN  17   2.028  -2.330   8.471
  109   2HG   GLN  17          1HG       GLN  17   1.778  -1.650  10.062
  110   1HE2  GLN  17          1HE2      GLN  17  -1.228  -2.880   8.949
  111   2HE2  GLN  17          2HE2      GLN  17  -1.019  -4.384   9.724
  112    H    ALA  18           H        ALA  18   1.208  -0.952   6.106
  113    HA   ALA  18           HA       ALA  18   3.639  -1.678   5.345
  114   1HB   ALA  18          1HB       ALA  18   1.679  -0.119   3.598
  115   2HB   ALA  18          2HB       ALA  18   1.631  -1.838   3.941
  116   3HB   ALA  18          3HB       ALA  18   2.947  -1.183   2.987
  117    H    ALA  19           H        ALA  19   2.693   1.677   4.917
  118    HA   ALA  19           HA       ALA  19   4.789   2.923   3.688
  119   1HB   ALA  19          1HB       ALA  19   4.376   4.865   5.234
  120   2HB   ALA  19          2HB       ALA  19   3.526   3.782   6.334
  121   3HB   ALA  19          3HB       ALA  19   2.880   4.091   4.735
  122    H    LYS  20           H        LYS  20   5.108   1.671   6.939
  123    HA   LYS  20           HA       LYS  20   7.895   2.619   7.296
  124   1HB   LYS  20          2HB       LYS  20   6.841   0.309   8.962
  125   2HB   LYS  20          1HB       LYS  20   7.773   1.686   9.479
  126   1HG   LYS  20          2HG       LYS  20   4.791   1.496   9.037
  127   2HG   LYS  20          1HG       LYS  20   5.648   1.881  10.500
  128   1HD   LYS  20          2HD       LYS  20   6.381   4.054   9.708
  129   2HD   LYS  20          1HD       LYS  20   5.798   3.786   8.091
  130   1HE   LYS  20          2HE       LYS  20   4.100   4.073  10.592
  131   2HE   LYS  20          1HE       LYS  20   4.233   5.230   9.269
  132   1HZ   LYS  20          1HZ       LYS  20   2.630   4.014   8.125
  133   2HZ   LYS  20          2HZ       LYS  20   2.479   3.000   9.374
  134   3HZ   LYS  20          3HZ       LYS  20   3.579   2.635   8.188
  135    H    GLU  21           H        GLU  21   6.338  -0.468   6.762
  136    HA   GLU  21           HA       GLU  21   8.566  -2.177   6.475
  137   1HB   GLU  21          2HB       GLU  21   6.270  -3.080   6.502
  138   2HB   GLU  21          1HB       GLU  21   5.840  -2.178   5.065
  139   1HG   GLU  21          2HG       GLU  21   7.471  -3.467   3.726
  140   2HG   GLU  21          1HG       GLU  21   7.981  -4.381   5.135
  141    H    PHE  22           H        PHE  22   7.113  -0.057   4.122
  142    HA   PHE  22           HA       PHE  22   8.686  -0.799   1.844
  143   1HB   PHE  22          2HB       PHE  22   6.528   0.517   1.749
  144   2HB   PHE  22          1HB       PHE  22   7.346   1.889   2.488
  145    HD1  PHE  22           HD1      PHE  22   9.135   3.071   1.263
  146    HD2  PHE  22           HD2      PHE  22   6.998  -0.121  -0.543
  147    HE1  PHE  22           HE1      PHE  22   9.979   3.761  -0.942
  148    HE2  PHE  22           HE2      PHE  22   7.837   0.558  -2.750
  149    HZ   PHE  22           HZ       PHE  22   9.331   2.503  -2.953
  150    H    ILE  23           H        ILE  23   9.047   1.735   4.294
  151    HA   ILE  23           HA       ILE  23  11.337   2.817   3.235
  152    HB   ILE  23           HB       ILE  23  10.666   2.382   6.224
  153   1HG1  ILE  23          2HG1      ILE  23  10.487   4.892   4.493
  154   2HG1  ILE  23          1HG1      ILE  23   9.130   3.835   4.784
  155   1HG2  ILE  23          1HG2      ILE  23  13.137   2.788   5.943
  156   2HG2  ILE  23          2HG2      ILE  23  12.372   4.144   6.728
  157   3HG2  ILE  23          3HG2      ILE  23  12.791   4.247   5.029
  158   1HD1  ILE  23          1HD1      ILE  23   9.349   4.257   7.263
  159   2HD1  ILE  23          2HD1      ILE  23   9.068   5.741   6.369
  160   3HD1  ILE  23          3HD1      ILE  23  10.673   5.363   6.952
  161    H    ALA  24           H        ALA  24  11.078   0.252   5.517
  162    HA   ALA  24           HA       ALA  24  13.780  -0.651   5.708
  163   1HB   ALA  24          1HB       ALA  24  12.716  -2.800   6.508
  164   2HB   ALA  24          2HB       ALA  24  11.172  -2.265   5.868
  165   3HB   ALA  24          3HB       ALA  24  11.916  -1.396   7.195
  166    H    TRP  25           H        TRP  25  11.293  -1.978   3.603
  167    HA   TRP  25           HA       TRP  25  12.271  -3.907   2.054
  168   1HB   TRP  25          2HB       TRP  25  10.595  -1.586   1.449
  169   2HB   TRP  25          1HB       TRP  25  11.317  -2.284   0.030
  170    HD1  TRP  25           HD1      TRP  25   9.484  -3.765   3.179
  171    HE1  TRP  25           HE1      TRP  25   7.836  -5.408   2.207
  172    HE3  TRP  25           HE3      TRP  25  10.585  -3.237  -1.657
  173    HZ2  TRP  25           HZ2      TRP  25   7.057  -6.461  -0.350
  174    HZ3  TRP  25           HZ3      TRP  25   9.407  -4.556  -3.415
  175    HH2  TRP  25           HH2      TRP  25   7.638  -6.172  -2.765
  176    H    LEU  26           H        LEU  26  12.983  -0.652   1.396
  177    HA   LEU  26           HA       LEU  26  15.196  -1.229  -0.489
  178   1HB   LEU  26          2HB       LEU  26  13.750   1.292   0.375
  179   2HB   LEU  26          1HB       LEU  26  14.987   1.258  -0.877
  180    HG   LEU  26           HG       LEU  26  13.275  -0.663  -1.848
  181   1HD1  LEU  26          1HD1      LEU  26  11.689  -0.290   0.092
  182   2HD1  LEU  26          2HD1      LEU  26  10.949   0.096  -1.434
  183   3HD1  LEU  26          3HD1      LEU  26  11.518   1.365  -0.378
  184   1HD2  LEU  26          1HD2      LEU  26  12.281   1.111  -3.229
  185   2HD2  LEU  26          2HD2      LEU  26  14.000   1.398  -3.063
  186   3HD2  LEU  26          3HD2      LEU  26  12.846   2.343  -2.120
  187    H    VAL  27           H        VAL  27  14.862   0.574   2.607
  188    HA   VAL  27           HA       VAL  27  17.535   1.470   2.877
  189    HB   VAL  27           HB       VAL  27  15.475   0.529   4.932
  190   1HG1  VAL  27          1HG1      VAL  27  17.806   0.332   5.929
  191   2HG1  VAL  27          2HG1      VAL  27  16.923   1.658   6.646
  192   3HG1  VAL  27          3HG1      VAL  27  18.146   1.977   5.434
  193   1HG2  VAL  27          1HG2      VAL  27  15.320   2.981   5.342
  194   2HG2  VAL  27          2HG2      VAL  27  15.015   2.653   3.652
  195   3HG2  VAL  27          3HG2      VAL  27  16.571   3.290   4.160
  196    H    LYS  28           H        LYS  28  16.236  -1.704   3.575
  197    HA   LYS  28           HA       LYS  28  18.911  -2.740   4.354
  198   1HB   LYS  28          2HB       LYS  28  17.681  -4.788   4.961
  199   2HB   LYS  28          1HB       LYS  28  16.803  -3.409   5.574
  200   1HG   LYS  28          2HG       LYS  28  14.957  -4.060   4.453
  201   2HG   LYS  28          1HG       LYS  28  15.768  -3.785   2.939
  202   1HD   LYS  28          2HD       LYS  28  16.818  -6.241   3.399
  203   2HD   LYS  28          1HD       LYS  28  15.496  -6.394   4.529
  204   1HE   LYS  28          2HE       LYS  28  14.694  -7.292   2.440
  205   2HE   LYS  28          1HE       LYS  28  13.926  -5.711   2.615
  206   1HZ   LYS  28          1HZ       LYS  28  15.072  -4.919   0.844
  207   2HZ   LYS  28          2HZ       LYS  28  15.703  -6.470   0.520
  208   3HZ   LYS  28          3HZ       LYS  28  16.510  -5.390   1.521
  209    H    GLY  29           H        GLY  29  19.456  -1.972   2.014
  210   1HA   GLY  29          2HA       GLY  29  20.711  -3.520   0.372
  211   2HA   GLY  29          1HA       GLY  29  19.215  -4.350   0.145
  212    H    ARG  30           HN       ARG  30  18.848  -0.918  -0.092
  213    HA   ARG  30           HA       ARG  30  19.096  -1.167  -3.068
  214   1HB   ARG  30          2HB       ARG  30  16.743  -1.129  -2.422
  215   2HB   ARG  30          1HB       ARG  30  16.965   0.195  -1.315
  216   1HG   ARG  30          2HG       ARG  30  17.785   0.793  -4.122
  217   2HG   ARG  30          1HG       ARG  30  16.083   0.450  -3.968
  218   1HD   ARG  30          2HD       ARG  30  16.762   2.916  -3.761
  219   2HD   ARG  30          1HD       ARG  30  15.800   2.348  -2.389
  220    HE   ARG  30           HE       ARG  30  18.847   2.462  -2.369
  221   1HH1  ARG  30          1HH1      ARG  30  17.331   4.522  -1.256
  222   2HH1  ARG  30          2HH1      ARG  30  17.423   4.212   0.465
  223   1HH2  ARG  30          1HH2      ARG  30  18.415   1.055  -0.467
  224   2HH2  ARG  30          2HH2      ARG  30  18.069   1.904   0.989
  Start of MODEL   13
    1   1H    HIS   1          1H        HIS   1 -18.353  -3.197   8.582
    2   2H    HIS   1          2H        HIS   1 -17.586  -1.936   7.764
    3   3H    HIS   1          3H        HIS   1 -18.467  -3.078   6.878
    4    HA   HIS   1           HA       HIS   1 -19.305  -0.620   7.892
    5   1HB   HIS   1          2HB       HIS   1 -21.167  -2.889   6.905
    6   2HB   HIS   1          1HB       HIS   1 -21.335  -1.181   6.585
    7    HD1  HIS   1           HD1      HIS   1 -19.408  -0.218   4.901
    8    HD2  HIS   1           HD2      HIS   1 -19.759  -4.292   5.041
    9    HE1  HIS   1           HE1      HIS   1 -18.206  -1.116   2.928
   10    H    ALA   2           H        ALA   2 -18.608  -1.344  10.101
   11    HA   ALA   2           HA       ALA   2 -21.053  -1.457  11.761
   12   1HB   ALA   2          1HB       ALA   2 -20.143  -3.864  11.581
   13   2HB   ALA   2          2HB       ALA   2 -19.981  -3.236  13.205
   14   3HB   ALA   2          3HB       ALA   2 -18.582  -3.276  12.151
   15    H    GLU   3           H        GLU   3 -20.603  -0.117  13.621
   16    HA   GLU   3           HA       GLU   3 -19.593   1.641  14.826
   17   1HB   GLU   3          2HB       GLU   3 -18.145  -0.422  15.269
   18   2HB   GLU   3          1HB       GLU   3 -17.032   0.171  14.062
   19   1HG   GLU   3          2HG       GLU   3 -17.684   2.225  16.131
   20   2HG   GLU   3          1HG       GLU   3 -16.858   0.819  16.760
   21    H    GLY   4           H        GLY   4 -17.357   1.220  12.171
   22   1HA   GLY   4          2HA       GLY   4 -17.639   3.250  10.381
   23   2HA   GLY   4          1HA       GLY   4 -16.918   4.119  11.760
   24    H    THR   5           H        THR   5 -15.222   2.744  12.819
   25    HA   THR   5           HA       THR   5 -12.832   2.658  11.410
   26    HB   THR   5           HB       THR   5 -13.613   0.828  13.760
   27    HG1  THR   5           HG1      THR   5 -13.742   2.729  14.551
   28   1HG2  THR   5          1HG2      THR   5 -11.220   0.464  12.663
   29   2HG2  THR   5          2HG2      THR   5 -11.230   1.088  14.309
   30   3HG2  THR   5          3HG2      THR   5 -10.964   2.175  12.962
   31    H    PHE   6           H        PHE   6 -11.575   0.884  10.575
   32    HA   PHE   6           HA       PHE   6 -11.219  -0.927   9.147
   33   1HB   PHE   6          2HB       PHE   6 -12.063  -2.003  11.335
   34   2HB   PHE   6          1HB       PHE   6 -13.628  -2.177  10.580
   35    HD1  PHE   6           HD1      PHE   6 -13.616  -3.442   8.228
   36    HD2  PHE   6           HD2      PHE   6 -10.514  -3.700  11.113
   37    HE1  PHE   6           HE1      PHE   6 -12.866  -5.553   7.228
   38    HE2  PHE   6           HE2      PHE   6  -9.761  -5.816  10.121
   39    HZ   PHE   6           HZ       PHE   6 -10.939  -6.746   8.172
   40    H    THR   7           H        THR   7 -14.318   0.630   9.024
   41    HA   THR   7           HA       THR   7 -15.119  -0.698   6.502
   42    HB   THR   7           HB       THR   7 -16.558   1.545   8.083
   43    HG1  THR   7           HG1      THR   7 -16.262  -0.314   9.251
   44   1HG2  THR   7          1HG2      THR   7 -17.245   1.085   5.676
   45   2HG2  THR   7          2HG2      THR   7 -18.488   0.777   6.845
   46   3HG2  THR   7          3HG2      THR   7 -17.572  -0.574   6.132
   47    H    SER   8           H        SER   8 -13.255   0.060   5.676
   48    HA   SER   8           HA       SER   8 -12.850   1.352   3.480
   49   1HB   SER   8          2HB       SER   8 -14.257   3.377   3.980
   50   2HB   SER   8          1HB       SER   8 -13.276   3.751   5.407
   51    HG   SER   8           HG       SER   8 -12.106   4.774   3.832
   52    H    ASP   9           H        ASP   9 -11.999   2.655   6.609
   53    HA   ASP   9           HA       ASP   9  -9.481   3.304   6.850
   54   1HB   ASP   9          2HB       ASP   9 -10.809   2.881   8.794
   55   2HB   ASP   9          1HB       ASP   9 -11.117   1.220   8.348
   56    H    VAL  10           H        VAL  10  -9.959  -0.053   7.067
   57    HA   VAL  10           HA       VAL  10  -7.651  -1.362   6.776
   58    HB   VAL  10           HB       VAL  10 -10.338  -1.855   5.394
   59   1HG1  VAL  10          1HG1      VAL  10  -9.542  -4.179   4.865
   60   2HG1  VAL  10          2HG1      VAL  10  -7.940  -3.794   5.462
   61   3HG1  VAL  10          3HG1      VAL  10  -8.533  -3.046   3.991
   62   1HG2  VAL  10          1HG2      VAL  10  -8.820  -3.269   7.634
   63   2HG2  VAL  10          2HG2      VAL  10 -10.440  -3.648   7.088
   64   3HG2  VAL  10          3HG2      VAL  10 -10.111  -2.117   7.859
   65    H    SER  11           H        SER  11  -9.268  -0.141   3.976
   66    HA   SER  11           HA       SER  11  -7.491  -0.715   1.856
   67   1HB   SER  11          2HB       SER  11  -9.777   0.317   1.592
   68   2HB   SER  11          1HB       SER  11  -9.155   1.836   2.241
   69    HG   SER  11           HG       SER  11  -8.891   0.946  -0.279
   70    H    SER  12           H        SER  12  -7.540   2.245   3.721
   71    HA   SER  12           HA       SER  12  -4.968   3.179   2.615
   72   1HB   SER  12          2HB       SER  12  -6.613   4.869   3.477
   73   2HB   SER  12          1HB       SER  12  -6.448   4.194   5.105
   74    HG   SER  12           HG       SER  12  -3.955   4.543   4.144
   75    H    TYR  13           H        TYR  13  -6.036   1.689   5.558
   76    HA   TYR  13           HA       TYR  13  -3.732   1.737   7.174
   77   1HB   TYR  13          2HB       TYR  13  -6.087   0.693   7.641
   78   2HB   TYR  13          1HB       TYR  13  -5.510  -0.745   6.820
   79    HD1  TYR  13           HD1      TYR  13  -3.048  -1.550   7.683
   80    HD2  TYR  13           HD2      TYR  13  -5.844   0.756   9.918
   81    HE1  TYR  13           HE1      TYR  13  -1.978  -2.255   9.779
   82    HE2  TYR  13           HE2      TYR  13  -4.731   0.019  12.010
   83    HH   TYR  13           HH       TYR  13  -2.313  -2.434  11.972
   84    H    LEU  14           H        LEU  14  -4.532  -0.746   4.790
   85    HA   LEU  14           HA       LEU  14  -2.215  -2.305   4.747
   86   1HB   LEU  14          2HB       LEU  14  -4.013  -1.358   2.460
   87   2HB   LEU  14          1HB       LEU  14  -2.820  -2.608   2.226
   88    HG   LEU  14           HG       LEU  14  -5.032  -2.789   4.349
   89   1HD1  LEU  14          1HD1      LEU  14  -6.144  -4.296   2.711
   90   2HD1  LEU  14          2HD1      LEU  14  -4.863  -3.995   1.545
   91   3HD1  LEU  14          3HD1      LEU  14  -5.938  -2.693   2.021
   92   1HD2  LEU  14          1HD2      LEU  14  -3.000  -4.259   4.683
   93   2HD2  LEU  14          2HD2      LEU  14  -3.206  -4.874   3.053
   94   3HD2  LEU  14          3HD2      LEU  14  -4.420  -5.197   4.278
   95    H    GLU  15           H        GLU  15  -2.631   0.353   2.422
   96    HA   GLU  15           HA       GLU  15   0.037   0.478   1.519
   97   1HB   GLU  15          2HB       GLU  15  -2.118   2.629   1.812
   98   2HB   GLU  15          1HB       GLU  15  -0.585   2.926   0.991
   99   1HG   GLU  15          2HG       GLU  15  -2.529   0.677   0.195
  100   2HG   GLU  15          1HG       GLU  15  -2.318   2.177  -0.680
  101    H    GLY  16           H        GLY  16  -1.359   2.394   4.161
  102   1HA   GLY  16          2HA       GLY  16   0.969   3.800   5.028
  103   2HA   GLY  16          1HA       GLY  16  -0.311   3.296   6.142
  104    H    GLN  17           H        GLN  17  -0.217   0.772   6.218
  105    HA   GLN  17           HA       GLN  17   1.815  -0.046   7.969
  106   1HB   GLN  17          2HB       GLN  17  -0.327  -1.210   7.818
  107   2HB   GLN  17          1HB       GLN  17  -0.127  -1.523   6.128
  108   1HG   GLN  17          2HG       GLN  17   0.580  -3.629   6.772
  109   2HG   GLN  17          1HG       GLN  17   2.104  -2.899   7.198
  110   1HE2  GLN  17          1HE2      GLN  17   2.741  -3.387   9.255
  111   2HE2  GLN  17          2HE2      GLN  17   1.660  -3.833  10.507
  112    H    ALA  18           H        ALA  18   1.447  -1.009   4.652
  113    HA   ALA  18           HA       ALA  18   3.856  -2.318   4.126
  114   1HB   ALA  18          1HB       ALA  18   2.054  -0.651   2.296
  115   2HB   ALA  18          2HB       ALA  18   1.824  -2.340   2.679
  116   3HB   ALA  18          3HB       ALA  18   3.202  -1.842   1.714
  117    H    ALA  19           H        ALA  19   3.223   1.072   3.354
  118    HA   ALA  19           HA       ALA  19   5.569   1.956   2.232
  119   1HB   ALA  19          1HB       ALA  19   4.000   3.289   4.517
  120   2HB   ALA  19          2HB       ALA  19   3.584   3.380   2.817
  121   3HB   ALA  19          3HB       ALA  19   5.053   4.148   3.402
  122    H    LYS  20           H        LYS  20   5.107   1.807   5.676
  123    HA   LYS  20           HA       LYS  20   7.772   2.307   6.572
  124   1HB   LYS  20          2HB       LYS  20   5.709   0.454   7.709
  125   2HB   LYS  20          1HB       LYS  20   7.026   1.093   8.656
  126   1HG   LYS  20          2HG       LYS  20   5.990   3.199   8.904
  127   2HG   LYS  20          1HG       LYS  20   5.237   3.129   7.334
  128   1HD   LYS  20          2HD       LYS  20   3.558   2.966   9.242
  129   2HD   LYS  20          1HD       LYS  20   3.455   1.674   8.080
  130   1HE   LYS  20          2HE       LYS  20   5.024   1.266  10.616
  131   2HE   LYS  20          1HE       LYS  20   3.271   1.087  10.597
  132   1HZ   LYS  20          1HZ       LYS  20   3.625  -1.041   9.581
  133   2HZ   LYS  20          2HZ       LYS  20   5.222  -0.741   9.597
  134   3HZ   LYS  20          3HZ       LYS  20   4.328  -0.315   8.317
  135    H    GLU  21           H        GLU  21   6.267  -0.857   6.536
  136    HA   GLU  21           HA       GLU  21   8.339  -2.593   6.929
  137   1HB   GLU  21          2HB       GLU  21   5.782  -2.711   5.311
  138   2HB   GLU  21          1HB       GLU  21   6.858  -4.095   5.269
  139   1HG   GLU  21          2HG       GLU  21   5.160  -4.407   7.092
  140   2HG   GLU  21          1HG       GLU  21   6.745  -4.260   7.796
  141    H    PHE  22           H        PHE  22   7.496  -1.185   3.839
  142    HA   PHE  22           HA       PHE  22   9.621  -2.559   2.395
  143   1HB   PHE  22          2HB       PHE  22   7.477  -0.481   1.771
  144   2HB   PHE  22          1HB       PHE  22   8.830  -0.608   0.643
  145    HD1  PHE  22           HD1      PHE  22   6.286  -2.671   2.455
  146    HD2  PHE  22           HD2      PHE  22   8.957  -2.415  -0.841
  147    HE1  PHE  22           HE1      PHE  22   5.398  -4.791   1.565
  148    HE2  PHE  22           HE2      PHE  22   8.083  -4.522  -1.726
  149    HZ   PHE  22           HZ       PHE  22   6.313  -5.711  -0.529
  150    H    ILE  23           H        ILE  23   9.118   0.754   3.626
  151    HA   ILE  23           HA       ILE  23  11.469   1.862   2.775
  152    HB   ILE  23           HB       ILE  23   9.539   2.333   4.953
  153   1HG1  ILE  23          2HG1      ILE  23  10.137   4.734   4.555
  154   2HG1  ILE  23          1HG1      ILE  23  11.459   4.223   3.530
  155   1HG2  ILE  23          1HG2      ILE  23  10.946   3.634   6.533
  156   2HG2  ILE  23          2HG2      ILE  23  12.394   3.181   5.648
  157   3HG2  ILE  23          3HG2      ILE  23  11.463   1.962   6.519
  158   1HD1  ILE  23          1HD1      ILE  23   8.497   3.602   3.062
  159   2HD1  ILE  23          2HD1      ILE  23   9.787   3.056   2.010
  160   3HD1  ILE  23          3HD1      ILE  23   9.440   4.765   2.156
  161    H    ALA  24           H        ALA  24  10.968  -0.187   5.493
  162    HA   ALA  24           HA       ALA  24  13.767  -0.443   6.327
  163   1HB   ALA  24          1HB       ALA  24  11.341  -2.317   6.746
  164   2HB   ALA  24          2HB       ALA  24  11.757  -0.996   7.813
  165   3HB   ALA  24          3HB       ALA  24  12.817  -2.392   7.693
  166    H    TRP  25           H        TRP  25  11.695  -2.709   4.569
  167    HA   TRP  25           HA       TRP  25  13.369  -4.690   3.712
  168   1HB   TRP  25          2HB       TRP  25  10.877  -4.285   3.061
  169   2HB   TRP  25          1HB       TRP  25  11.462  -3.197   1.817
  170    HD1  TRP  25           HD1      TRP  25  12.507  -6.680   2.920
  171    HE1  TRP  25           HE1      TRP  25  12.621  -8.114   0.777
  172    HE3  TRP  25           HE3      TRP  25  11.120  -3.306  -0.464
  173    HZ2  TRP  25           HZ2      TRP  25  12.179  -7.877  -2.003
  174    HZ3  TRP  25           HZ3      TRP  25  10.944  -3.863  -2.872
  175    HH2  TRP  25           HH2      TRP  25  11.473  -6.154  -3.651
  176    H    LEU  26           H        LEU  26  13.074  -1.666   2.183
  177    HA   LEU  26           HA       LEU  26  15.205  -1.910   0.226
  178   1HB   LEU  26          2HB       LEU  26  13.493   0.439   1.141
  179   2HB   LEU  26          1HB       LEU  26  14.404   0.347  -0.343
  180    HG   LEU  26           HG       LEU  26  12.151  -1.599   0.340
  181   1HD1  LEU  26          1HD1      LEU  26  10.885  -0.301  -1.356
  182   2HD1  LEU  26          2HD1      LEU  26  12.242   0.820  -1.474
  183   3HD1  LEU  26          3HD1      LEU  26  11.324   0.704   0.023
  184   1HD2  LEU  26          1HD2      LEU  26  13.695  -0.990  -2.212
  185   2HD2  LEU  26          2HD2      LEU  26  12.349  -2.118  -2.103
  186   3HD2  LEU  26          3HD2      LEU  26  13.848  -2.465  -1.272
  187    H    VAL  27           H        VAL  27  16.350  -2.424   2.481
  188    HA   VAL  27           HA       VAL  27  18.067  -1.916   4.024
  189    HB   VAL  27           HB       VAL  27  18.950  -0.188   1.691
  190   1HG1  VAL  27          1HG1      VAL  27  21.264  -0.883   2.404
  191   2HG1  VAL  27          2HG1      VAL  27  20.573  -1.817   3.713
  192   3HG1  VAL  27          3HG1      VAL  27  20.433  -0.068   3.714
  193   1HG2  VAL  27          1HG2      VAL  27  20.053  -2.256   0.757
  194   2HG2  VAL  27          2HG2      VAL  27  18.314  -2.431   0.822
  195   3HG2  VAL  27          3HG2      VAL  27  19.319  -3.214   2.029
  196    H    LYS  28           H        LYS  28  15.950  -0.645   4.523
  197    HA   LYS  28           HA       LYS  28  15.007   1.143   5.692
  198   1HB   LYS  28          2HB       LYS  28  17.925   1.576   6.178
  199   2HB   LYS  28          1HB       LYS  28  16.588   2.258   7.136
  200   1HG   LYS  28          2HG       LYS  28  15.870  -0.090   7.721
  201   2HG   LYS  28          1HG       LYS  28  17.131  -0.720   6.702
  202   1HD   LYS  28          2HD       LYS  28  17.788  -0.823   9.110
  203   2HD   LYS  28          1HD       LYS  28  18.918   0.080   8.147
  204   1HE   LYS  28          2HE       LYS  28  16.713   1.372   9.812
  205   2HE   LYS  28          1HE       LYS  28  18.342   1.091  10.426
  206   1HZ   LYS  28          1HZ       LYS  28  19.052   2.949   9.305
  207   2HZ   LYS  28          2HZ       LYS  28  17.482   3.223   8.731
  208   3HZ   LYS  28          3HZ       LYS  28  18.535   2.254   7.854
  209    H    GLY  29           H        GLY  29  14.673   1.987   3.304
  210   1HA   GLY  29          2HA       GLY  29  14.028   4.476   2.963
  211   2HA   GLY  29          1HA       GLY  29  15.704   4.823   3.164
  212    H    ARG  30           HN       ARG  30  16.018   2.362   1.034
  213    HA   ARG  30           HA       ARG  30  15.029   3.801  -1.334
  214   1HB   ARG  30          2HB       ARG  30  17.955   3.247  -1.625
  215   2HB   ARG  30          1HB       ARG  30  16.978   4.529  -2.205
  216   1HG   ARG  30          2HG       ARG  30  17.379   5.987  -0.502
  217   2HG   ARG  30          1HG       ARG  30  17.453   4.773   0.740
  218   1HD   ARG  30          2HD       ARG  30  19.591   5.063  -1.396
  219   2HD   ARG  30          1HD       ARG  30  19.712   5.824   0.188
  220    HE   ARG  30           HE       ARG  30  20.676   3.295   0.009
  221   1HH1  ARG  30          1HH2      ARG  30  18.103   2.070  -0.379
  222   2HH1  ARG  30          2HH2      ARG  30  17.718   1.532   1.153
  223   1HH2  ARG  30          1HH1      ARG  30  20.026   3.739   2.532
  224   2HH2  ARG  30          2HH1      ARG  30  18.883   2.485   2.903
  Start of MODEL   14
    1   1H    HIS   1          1H        HIS   1 -15.800  -5.774  16.171
    2   2H    HIS   1          2H        HIS   1 -15.477  -4.229  15.565
    3   3H    HIS   1          3H        HIS   1 -14.486  -5.536  15.122
    4    HA   HIS   1           HA       HIS   1 -15.825  -5.895  13.306
    5   1HB   HIS   1          2HB       HIS   1 -17.142  -7.417  14.939
    6   2HB   HIS   1          1HB       HIS   1 -18.148  -6.038  15.360
    7    HD1  HIS   1           HD1      HIS   1 -19.683  -5.114  13.304
    8    HD2  HIS   1           HD2      HIS   1 -17.739  -8.660  12.575
    9    HE1  HIS   1           HE1      HIS   1 -20.717  -6.108  11.324
   10    H    ALA   2           H        ALA   2 -17.654  -4.866  12.034
   11    HA   ALA   2           HA       ALA   2 -18.346  -2.106  12.916
   12   1HB   ALA   2          1HB       ALA   2 -16.863  -2.878  10.295
   13   2HB   ALA   2          2HB       ALA   2 -16.172  -1.966  11.615
   14   3HB   ALA   2          3HB       ALA   2 -17.462  -1.281  10.651
   15    H    GLU   3           H        GLU   3 -18.583  -3.389   9.768
   16    HA   GLU   3           HA       GLU   3 -21.552  -3.709   9.900
   17   1HB   GLU   3          2HB       GLU   3 -21.585  -2.873   7.640
   18   2HB   GLU   3          1HB       GLU   3 -20.498  -1.837   8.535
   19   1HG   GLU   3          2HG       GLU   3 -19.522  -4.144   6.736
   20   2HG   GLU   3          1HG       GLU   3 -19.462  -2.457   6.339
   21    H    GLY   4           H        GLY   4 -18.642  -5.284   9.172
   22   1HA   GLY   4          2HA       GLY   4 -18.843  -7.887   9.256
   23   2HA   GLY   4          1HA       GLY   4 -20.015  -7.692   7.967
   24    H    THR   5           H        THR   5 -18.466  -5.572   6.715
   25    HA   THR   5           HA       THR   5 -15.975  -6.949   5.795
   26    HB   THR   5           HB       THR   5 -18.173  -6.246   3.748
   27    HG1  THR   5           HG1      THR   5 -17.570  -8.385   5.391
   28   1HG2  THR   5          1HG2      THR   5 -15.715  -8.083   3.642
   29   2HG2  THR   5          2HG2      THR   5 -15.699  -6.484   2.909
   30   3HG2  THR   5          3HG2      THR   5 -16.807  -7.716   2.323
   31    H    PHE   6           H        PHE   6 -15.863  -4.606   7.146
   32    HA   PHE   6           HA       PHE   6 -15.850  -2.189   5.794
   33   1HB   PHE   6          2HB       PHE   6 -14.203  -1.419   7.416
   34   2HB   PHE   6          1HB       PHE   6 -15.244  -2.570   8.200
   35    HD1  PHE   6           HD1      PHE   6 -12.550  -1.669   9.138
   36    HD2  PHE   6           HD2      PHE   6 -13.630  -5.052   6.790
   37    HE1  PHE   6           HE1      PHE   6 -10.577  -2.825   9.912
   38    HE2  PHE   6           HE2      PHE   6 -11.646  -6.231   7.579
   39    HZ   PHE   6           HZ       PHE   6 -10.093  -5.126   9.153
   40    H    THR   7           H        THR   7 -14.416  -0.962   4.650
   41    HA   THR   7           HA       THR   7 -12.078  -2.297   3.278
   42    HB   THR   7           HB       THR   7 -13.889  -2.520   1.660
   43    HG1  THR   7           HG1      THR   7 -12.337  -1.824   0.367
   44   1HG2  THR   7          1HG2      THR   7 -14.094   0.535   1.622
   45   2HG2  THR   7          2HG2      THR   7 -15.325  -0.460   2.416
   46   3HG2  THR   7          3HG2      THR   7 -15.017  -0.615   0.696
   47    H    SER   8           H        SER   8 -13.590   0.890   3.367
   48    HA   SER   8           HA       SER   8 -11.437   2.538   2.664
   49   1HB   SER   8          2HB       SER   8 -12.532   4.297   4.173
   50   2HB   SER   8          1HB       SER   8 -13.708   3.462   3.139
   51    HG   SER   8           HG       SER   8 -13.328   3.233   5.887
   52    H    ASP   9           H        ASP   9 -12.075   1.100   5.715
   53    HA   ASP   9           HA       ASP   9  -9.844   2.328   7.156
   54   1HB   ASP   9          2HB       ASP   9 -11.927   1.515   8.305
   55   2HB   ASP   9          1HB       ASP   9 -11.670  -0.108   7.702
   56    H    VAL  10           H        VAL  10 -10.430  -1.029   6.333
   57    HA   VAL  10           HA       VAL  10  -8.091  -2.343   6.509
   58    HB   VAL  10           HB       VAL  10  -9.853  -2.381   3.995
   59   1HG1  VAL  10          1HG1      VAL  10  -7.865  -4.479   5.017
   60   2HG1  VAL  10          2HG1      VAL  10  -7.633  -3.514   3.570
   61   3HG1  VAL  10          3HG1      VAL  10  -8.939  -4.682   3.643
   62   1HG2  VAL  10          1HG2      VAL  10 -11.021  -2.962   6.135
   63   2HG2  VAL  10          2HG2      VAL  10  -9.792  -4.158   6.471
   64   3HG2  VAL  10          3HG2      VAL  10 -10.870  -4.364   5.103
   65    H    SER  11           H        SER  11  -8.682  -0.394   3.617
   66    HA   SER  11           HA       SER  11  -6.014  -0.667   2.520
   67   1HB   SER  11          2HB       SER  11  -6.512   1.382   1.143
   68   2HB   SER  11          1HB       SER  11  -7.957   0.363   1.199
   69    HG   SER  11           HG       SER  11  -7.496   2.827   2.469
   70    H    SER  12           H        SER  12  -7.332   2.085   4.226
   71    HA   SER  12           HA       SER  12  -5.035   3.638   4.694
   72   1HB   SER  12          2HB       SER  12  -7.355   3.169   6.662
   73   2HB   SER  12          1HB       SER  12  -6.274   4.576   6.637
   74    HG   SER  12           HG       SER  12  -8.321   3.868   4.860
   75    H    TYR  13           H        TYR  13  -6.346   1.198   6.754
   76    HA   TYR  13           HA       TYR  13  -4.488   1.020   8.855
   77   1HB   TYR  13          2HB       TYR  13  -6.665  -0.158   8.833
   78   2HB   TYR  13          1HB       TYR  13  -6.204  -1.098   7.446
   79    HD1  TYR  13           HD1      TYR  13  -4.170  -2.751   7.719
   80    HD2  TYR  13           HD2      TYR  13  -6.229  -0.940  10.961
   81    HE1  TYR  13           HE1      TYR  13  -3.299  -4.481   9.259
   82    HE2  TYR  13           HE2      TYR  13  -5.341  -2.691  12.482
   83    HH   TYR  13           HH       TYR  13  -3.282  -4.189  12.464
   84    H    LEU  14           H        LEU  14  -4.517  -0.962   5.960
   85    HA   LEU  14           HA       LEU  14  -1.979  -2.195   6.338
   86   1HB   LEU  14          2HB       LEU  14  -3.864  -2.847   4.714
   87   2HB   LEU  14          1HB       LEU  14  -3.384  -1.499   3.711
   88    HG   LEU  14           HG       LEU  14  -1.021  -2.518   3.715
   89   1HD1  LEU  14          1HD1      LEU  14  -2.600  -4.921   4.719
   90   2HD1  LEU  14          2HD1      LEU  14  -1.359  -4.077   5.626
   91   3HD1  LEU  14          3HD1      LEU  14  -0.934  -4.960   4.177
   92   1HD2  LEU  14          1HD2      LEU  14  -1.656  -4.162   1.936
   93   2HD2  LEU  14          2HD2      LEU  14  -2.596  -2.690   1.774
   94   3HD2  LEU  14          3HD2      LEU  14  -3.320  -4.121   2.492
   95    H    GLU  15           H        GLU  15  -2.794   0.604   4.362
   96    HA   GLU  15           HA       GLU  15  -0.339   1.424   3.337
   97   1HB   GLU  15          2HB       GLU  15  -2.650   2.399   2.981
   98   2HB   GLU  15          1HB       GLU  15  -2.504   3.223   4.507
   99   1HG   GLU  15          2HG       GLU  15  -0.582   4.545   3.702
  100   2HG   GLU  15          1HG       GLU  15  -0.490   3.615   2.222
  101    H    GLY  16           H        GLY  16  -1.690   2.448   6.372
  102   1HA   GLY  16          2HA       GLY  16   0.168   3.995   7.682
  103   2HA   GLY  16          1HA       GLY  16  -0.725   2.750   8.554
  104    H    GLN  17           H        GLN  17   0.455   0.638   7.132
  105    HA   GLN  17           HA       GLN  17   3.126   0.539   8.464
  106   1HB   GLN  17          2HB       GLN  17   1.489  -1.198   9.199
  107   2HB   GLN  17          1HB       GLN  17   1.240  -1.685   7.542
  108   1HG   GLN  17          2HG       GLN  17   3.015  -3.070   9.064
  109   2HG   GLN  17          1HG       GLN  17   3.398  -2.770   7.387
  110   1HE2  GLN  17          1HE2      GLN  17   5.634  -2.558   7.462
  111   2HE2  GLN  17          2HE2      GLN  17   6.444  -1.473   8.469
  112    H    ALA  18           H        ALA  18   1.583  -0.464   5.457
  113    HA   ALA  18           HA       ALA  18   3.730  -1.349   3.929
  114   1HB   ALA  18          1HB       ALA  18   1.505   0.565   3.061
  115   2HB   ALA  18          2HB       ALA  18   1.345  -1.181   3.151
  116   3HB   ALA  18          3HB       ALA  18   2.422  -0.456   1.965
  117    H    ALA  19           H        ALA  19   2.872   2.032   4.385
  118    HA   ALA  19           HA       ALA  19   4.969   3.235   2.870
  119   1HB   ALA  19          1HB       ALA  19   2.978   4.442   3.824
  120   2HB   ALA  19          2HB       ALA  19   4.452   5.241   4.341
  121   3HB   ALA  19          3HB       ALA  19   3.580   4.190   5.447
  122    H    LYS  20           H        LYS  20   4.932   2.412   6.317
  123    HA   LYS  20           HA       LYS  20   7.610   3.115   6.929
  124   1HB   LYS  20          2HB       LYS  20   5.447   2.599   8.300
  125   2HB   LYS  20          1HB       LYS  20   5.900   0.910   8.140
  126   1HG   LYS  20          2HG       LYS  20   8.092   1.387   9.190
  127   2HG   LYS  20          1HG       LYS  20   7.649   3.068   9.391
  128   1HD   LYS  20          2HD       LYS  20   6.171   0.659  10.500
  129   2HD   LYS  20          1HD       LYS  20   7.193   1.726  11.438
  130   1HE   LYS  20          2HE       LYS  20   5.252   2.803  11.999
  131   2HE   LYS  20          1HE       LYS  20   5.372   3.530  10.401
  132   1HZ   LYS  20          1HZ       LYS  20   3.401   1.687  11.296
  133   2HZ   LYS  20          2HZ       LYS  20   4.314   0.901  10.145
  134   3HZ   LYS  20          3HZ       LYS  20   3.517   2.333   9.755
  135    H    GLU  21           H        GLU  21   6.215  -0.023   6.134
  136    HA   GLU  21           HA       GLU  21   8.701  -1.447   6.041
  137   1HB   GLU  21          2HB       GLU  21   5.884  -2.005   5.365
  138   2HB   GLU  21          1HB       GLU  21   6.968  -2.760   4.219
  139   1HG   GLU  21          2HG       GLU  21   7.322  -3.130   7.262
  140   2HG   GLU  21          1HG       GLU  21   6.543  -4.302   6.218
  141    H    PHE  22           H        PHE  22   7.352   0.762   3.788
  142    HA   PHE  22           HA       PHE  22   8.915  -0.189   1.471
  143   1HB   PHE  22          2HB       PHE  22   6.800   1.168   1.117
  144   2HB   PHE  22          1HB       PHE  22   7.518   2.520   1.973
  145    HD1  PHE  22           HD1      PHE  22   9.554   3.653   1.035
  146    HD2  PHE  22           HD2      PHE  22   7.473   0.667  -1.153
  147    HE1  PHE  22           HE1      PHE  22  10.690   4.369  -1.015
  148    HE2  PHE  22           HE2      PHE  22   8.604   1.376  -3.208
  149    HZ   PHE  22           HZ       PHE  22  10.222   3.232  -3.146
  150    H    ILE  23           H        ILE  23   8.994   2.515   3.759
  151    HA   ILE  23           HA       ILE  23  11.509   3.582   3.098
  152    HB   ILE  23           HB       ILE  23  10.307   3.215   5.917
  153   1HG1  ILE  23          2HG1      ILE  23  10.247   5.628   4.036
  154   2HG1  ILE  23          1HG1      ILE  23   8.922   4.502   4.182
  155   1HG2  ILE  23          1HG2      ILE  23  11.822   5.117   6.563
  156   2HG2  ILE  23          2HG2      ILE  23  12.464   5.172   4.932
  157   3HG2  ILE  23          3HG2      ILE  23  12.781   3.784   5.957
  158   1HD1  ILE  23          1HD1      ILE  23   8.508   6.478   5.622
  159   2HD1  ILE  23          2HD1      ILE  23  10.019   6.221   6.469
  160   3HD1  ILE  23          3HD1      ILE  23   8.719   5.056   6.625
  161    H    ALA  24           H        ALA  24  10.725   0.941   5.177
  162    HA   ALA  24           HA       ALA  24  13.450   0.061   5.714
  163   1HB   ALA  24          1HB       ALA  24  10.745  -1.313   6.087
  164   2HB   ALA  24          2HB       ALA  24  11.525  -0.293   7.278
  165   3HB   ALA  24          3HB       ALA  24  12.236  -1.839   6.841
  166    H    TRP  25           H        TRP  25  11.144  -0.700   3.209
  167    HA   TRP  25           HA       TRP  25  11.899  -3.169   2.172
  168   1HB   TRP  25          2HB       TRP  25  10.120  -1.731   1.225
  169   2HB   TRP  25          1HB       TRP  25  11.319  -0.618   0.578
  170    HD1  TRP  25           HD1      TRP  25  11.162  -4.528   0.354
  171    HE1  TRP  25           HE1      TRP  25  11.301  -5.007  -2.148
  172    HE3  TRP  25           HE3      TRP  25  11.239   0.143  -1.507
  173    HZ2  TRP  25           HZ2      TRP  25  11.422  -3.679  -4.634
  174    HZ3  TRP  25           HZ3      TRP  25  11.361   0.559  -3.938
  175    HH2  TRP  25           HH2      TRP  25  11.451  -1.354  -5.515
  176    H    LEU  26           H        LEU  26  13.409  -0.126   1.585
  177    HA   LEU  26           HA       LEU  26  15.656  -1.023   0.002
  178   1HB   LEU  26          2HB       LEU  26  15.252   1.366   1.905
  179   2HB   LEU  26          1HB       LEU  26  16.718   1.199   0.970
  180    HG   LEU  26           HG       LEU  26  15.133   2.808  -0.058
  181   1HD1  LEU  26          1HD1      LEU  26  16.626   1.476  -1.547
  182   2HD1  LEU  26          2HD1      LEU  26  15.097   1.827  -2.333
  183   3HD1  LEU  26          3HD1      LEU  26  15.392   0.233  -1.683
  184   1HD2  LEU  26          1HD2      LEU  26  12.995   1.743   0.694
  185   2HD2  LEU  26          2HD2      LEU  26  13.275   0.420  -0.431
  186   3HD2  LEU  26          3HD2      LEU  26  13.011   2.033  -1.034
  187    H    VAL  27           H        VAL  27  15.504  -0.210   3.393
  188    HA   VAL  27           HA       VAL  27  17.932  -1.154   4.394
  189    HB   VAL  27           HB       VAL  27  15.220  -1.388   5.825
  190   1HG1  VAL  27          1HG1      VAL  27  18.036  -0.923   6.868
  191   2HG1  VAL  27          2HG1      VAL  27  17.147  -2.431   7.032
  192   3HG1  VAL  27          3HG1      VAL  27  16.593  -0.988   7.872
  193   1HG2  VAL  27          1HG2      VAL  27  17.150   0.983   5.646
  194   2HG2  VAL  27          2HG2      VAL  27  15.694   0.945   6.628
  195   3HG2  VAL  27          3HG2      VAL  27  15.573   0.936   4.884
  196    H    LYS  28           H        LYS  28  15.362  -3.120   3.291
  197    HA   LYS  28           HA       LYS  28  15.872  -5.614   4.615
  198   1HB   LYS  28          2HB       LYS  28  15.063  -5.262   1.685
  199   2HB   LYS  28          1HB       LYS  28  14.810  -6.704   2.631
  200   1HG   LYS  28          2HG       LYS  28  13.560  -3.999   3.218
  201   2HG   LYS  28          1HG       LYS  28  12.744  -5.269   2.331
  202   1HD   LYS  28          2HD       LYS  28  12.895  -6.715   4.408
  203   2HD   LYS  28          1HD       LYS  28  13.694  -5.386   5.242
  204   1HE   LYS  28          2HE       LYS  28  11.711  -3.929   4.897
  205   2HE   LYS  28          1HE       LYS  28  10.887  -5.212   4.033
  206   1HZ   LYS  28          1HZ       LYS  28  11.817  -6.279   6.531
  207   2HZ   LYS  28          2HZ       LYS  28  10.230  -6.001   5.934
  208   3HZ   LYS  28          3HZ       LYS  28  10.951  -4.802   6.732
  209    H    GLY  29           H        GLY  29  17.609  -4.051   2.113
  210   1HA   GLY  29          2HA       GLY  29  19.387  -6.372   1.481
  211   2HA   GLY  29          1HA       GLY  29  19.534  -4.739   0.794
  212    H    ARG  30           HN       ARG  30  19.307  -3.443   3.077
  213    HA   ARG  30           HA       ARG  30  20.281  -3.334   5.331
  214   1HB   ARG  30          2HB       ARG  30  22.686  -4.131   3.682
  215   2HB   ARG  30          1HB       ARG  30  23.040  -3.046   4.941
  216   1HG   ARG  30          2HG       ARG  30  21.901  -5.868   5.183
  217   2HG   ARG  30          1HG       ARG  30  23.400  -5.296   5.863
  218   1HD   ARG  30          2HD       ARG  30  20.563  -4.698   6.807
  219   2HD   ARG  30          1HD       ARG  30  21.806  -5.552   7.697
  220    HE   ARG  30           HE       ARG  30  22.821  -3.361   8.285
  221   1HH1  ARG  30          1HH1      ARG  30  19.880  -2.736   7.802
  222   2HH1  ARG  30          2HH1      ARG  30  20.083  -1.302   6.830
  223   1HH2  ARG  30          1HH2      ARG  30  23.376  -1.703   6.454
  224   2HH2  ARG  30          2HH2      ARG  30  21.979  -0.762   6.069
  Start of MODEL   15
    1   1H    HIS   1          1H        HIS   1 -14.159   0.566   7.153
    2   2H    HIS   1          2H        HIS   1 -13.318  -0.232   5.918
    3   3H    HIS   1          3H        HIS   1 -14.210  -1.077   7.053
    4    HA   HIS   1           HA       HIS   1 -15.939   0.748   5.828
    5   1HB   HIS   1          2HB       HIS   1 -14.177  -0.788   3.875
    6   2HB   HIS   1          1HB       HIS   1 -15.725  -0.091   3.425
    7    HD1  HIS   1           HD1      HIS   1 -14.010   1.232   1.864
    8    HD2  HIS   1           HD2      HIS   1 -13.957   2.408   5.772
    9    HE1  HIS   1           HE1      HIS   1 -12.937   3.482   1.934
   10    H    ALA   2           H        ALA   2 -15.054  -2.710   5.513
   11    HA   ALA   2           HA       ALA   2 -18.016  -3.333   5.532
   12   1HB   ALA   2          1HB       ALA   2 -15.627  -4.989   4.542
   13   2HB   ALA   2          2HB       ALA   2 -16.729  -4.100   3.502
   14   3HB   ALA   2          3HB       ALA   2 -17.312  -5.472   4.428
   15    H    GLU   3           H        GLU   3 -15.006  -4.255   6.784
   16    HA   GLU   3           HA       GLU   3 -15.963  -6.014   8.922
   17   1HB   GLU   3          2HB       GLU   3 -13.600  -6.580   9.028
   18   2HB   GLU   3          1HB       GLU   3 -14.036  -6.499   7.337
   19   1HG   GLU   3          2HG       GLU   3 -12.611  -4.330   8.947
   20   2HG   GLU   3          1HG       GLU   3 -11.841  -5.321   7.744
   21    H    GLY   4           H        GLY   4 -15.081  -2.825   8.550
   22   1HA   GLY   4          2HA       GLY   4 -15.944  -1.547  10.795
   23   2HA   GLY   4          1HA       GLY   4 -14.463  -2.250  11.407
   24    H    THR   5           H        THR   5 -13.589  -0.314  11.890
   25    HA   THR   5           HA       THR   5 -12.900   1.618   9.679
   26    HB   THR   5           HB       THR   5 -13.182   2.054  12.696
   27    HG1  THR   5           HG1      THR   5 -14.623   3.560  11.101
   28   1HG2  THR   5          1HG2      THR   5 -11.502   3.703  11.550
   29   2HG2  THR   5          2HG2      THR   5 -12.972   4.448  12.117
   30   3HG2  THR   5          3HG2      THR   5 -12.774   4.081  10.416
   31    H    PHE   6           H        PHE   6 -10.746   2.696   9.871
   32    HA   PHE   6           HA       PHE   6  -8.407   2.593   9.912
   33   1HB   PHE   6          2HB       PHE   6  -9.106   2.326  12.466
   34   2HB   PHE   6          1HB       PHE   6  -8.629   0.652  12.266
   35    HD1  PHE   6           HD1      PHE   6  -7.451   4.125  12.301
   36    HD2  PHE   6           HD2      PHE   6  -6.271   0.066  11.950
   37    HE1  PHE   6           HE1      PHE   6  -5.107   4.785  12.646
   38    HE2  PHE   6           HE2      PHE   6  -3.927   0.706  12.289
   39    HZ   PHE   6           HZ       PHE   6  -3.332   3.070  12.640
   40    H    THR   7           H        THR   7  -9.905   0.767   8.345
   41    HA   THR   7           HA       THR   7  -7.977  -1.528   8.008
   42    HB   THR   7           HB       THR   7  -9.923  -2.974   7.214
   43    HG1  THR   7           HG1      THR   7 -11.828  -2.061   7.005
   44   1HG2  THR   7          1HG2      THR   7 -10.977  -1.194   9.467
   45   2HG2  THR   7          2HG2      THR   7  -9.861  -2.504   9.780
   46   3HG2  THR   7          3HG2      THR   7 -11.455  -2.825   9.133
   47    H    SER   8           H        SER   8 -10.416  -0.068   6.161
   48    HA   SER   8           HA       SER   8  -8.904   0.035   3.549
   49   1HB   SER   8          2HB       SER   8 -11.530   1.001   3.130
   50   2HB   SER   8          1HB       SER   8 -11.115  -0.702   2.904
   51    HG   SER   8           HG       SER   8 -11.503  -0.982   5.211
   52    H    ASP   9           H        ASP   9 -10.122   1.639   6.106
   53    HA   ASP   9           HA       ASP   9  -9.944   4.388   5.288
   54   1HB   ASP   9          2HB       ASP   9 -11.423   3.550   7.092
   55   2HB   ASP   9          1HB       ASP   9 -10.088   2.713   7.867
   56    H    VAL  10           H        VAL  10  -8.002   5.538   6.882
   57    HA   VAL  10           HA       VAL  10  -5.594   5.881   6.825
   58    HB   VAL  10           HB       VAL  10  -5.750   2.986   7.753
   59   1HG1  VAL  10          1HG1      VAL  10  -3.869   5.309   8.524
   60   2HG1  VAL  10          2HG1      VAL  10  -3.352   4.000   7.494
   61   3HG1  VAL  10          3HG1      VAL  10  -3.786   3.678   9.160
   62   1HG2  VAL  10          1HG2      VAL  10  -6.052   3.970   9.988
   63   2HG2  VAL  10          2HG2      VAL  10  -7.380   4.452   8.956
   64   3HG2  VAL  10          3HG2      VAL  10  -6.103   5.588   9.314
   65    H    SER  11           H        SER  11  -6.858   4.663   4.288
   66    HA   SER  11           HA       SER  11  -6.023   4.188   2.084
   67   1HB   SER  11          2HB       SER  11  -3.263   4.522   3.347
   68   2HB   SER  11          1HB       SER  11  -3.609   4.363   1.625
   69    HG   SER  11           HG       SER  11  -4.096   6.478   1.734
   70    H    SER  12           H        SER  12  -7.080   2.199   3.457
   71    HA   SER  12           HA       SER  12  -6.991  -0.256   3.699
   72   1HB   SER  12          2HB       SER  12  -4.728  -0.005   1.646
   73   2HB   SER  12          1HB       SER  12  -5.545  -1.475   2.160
   74    HG   SER  12           HG       SER  12  -6.481  -0.726   0.391
   75    H    TYR  13           H        TYR  13  -5.774   1.687   5.326
   76    HA   TYR  13           HA       TYR  13  -4.012   2.141   6.870
   77   1HB   TYR  13          2HB       TYR  13  -5.243   0.489   8.018
   78   2HB   TYR  13          1HB       TYR  13  -4.717  -0.801   6.952
   79    HD1  TYR  13           HD1      TYR  13  -2.369   1.688   8.553
   80    HD2  TYR  13           HD2      TYR  13  -3.979  -2.242   8.637
   81    HE1  TYR  13           HE1      TYR  13  -0.680   1.001  10.232
   82    HE2  TYR  13           HE2      TYR  13  -2.276  -2.897  10.318
   83    HH   TYR  13           HH       TYR  13   0.135  -1.971  10.766
   84    H    LEU  14           H        LEU  14  -3.465   2.349   4.581
   85    HA   LEU  14           HA       LEU  14  -1.849   2.582   2.833
   86   1HB   LEU  14          2HB       LEU  14  -1.237   3.536   4.849
   87   2HB   LEU  14          1HB       LEU  14  -0.325   2.122   5.319
   88    HG   LEU  14           HG       LEU  14   1.219   3.533   4.562
   89   1HD1  LEU  14          1HD1      LEU  14   1.643   1.617   3.091
   90   2HD1  LEU  14          2HD1      LEU  14   2.019   3.072   2.207
   91   3HD1  LEU  14          3HD1      LEU  14   0.515   2.233   1.905
   92   1HD2  LEU  14          1HD2      LEU  14   0.947   5.155   2.607
   93   2HD2  LEU  14          2HD2      LEU  14  -0.233   5.379   3.881
   94   3HD2  LEU  14          3HD2      LEU  14  -0.682   4.542   2.405
   95    H    GLU  15           H        GLU  15  -3.131   0.442   2.785
   96    HA   GLU  15           HA       GLU  15  -3.367  -1.897   2.392
   97   1HB   GLU  15          2HB       GLU  15  -2.718  -0.395   0.363
   98   2HB   GLU  15          1HB       GLU  15  -1.154  -1.201   0.441
   99   1HG   GLU  15          2HG       GLU  15  -2.760  -2.369  -1.187
  100   2HG   GLU  15          1HG       GLU  15  -2.401  -3.440   0.153
  101    H    GLY  16           H        GLY  16  -2.511  -1.974   4.411
  102   1HA   GLY  16          2HA       GLY  16  -1.276  -3.223   6.144
  103   2HA   GLY  16          1HA       GLY  16  -0.753  -4.285   4.813
  104    H    GLN  17           H        GLN  17  -0.436  -0.916   5.325
  105    HA   GLN  17           HA       GLN  17   1.396   0.531   4.791
  106   1HB   GLN  17          2HB       GLN  17   2.892   0.505   6.761
  107   2HB   GLN  17          1HB       GLN  17   1.188   0.516   7.145
  108   1HG   GLN  17          2HG       GLN  17   2.549  -2.134   6.949
  109   2HG   GLN  17          1HG       GLN  17   2.879  -1.194   8.397
  110   1HE2  GLN  17          1HE2      GLN  17  -0.437  -0.923   7.121
  111   2HE2  GLN  17          2HE2      GLN  17  -1.022  -2.014   8.261
  112    H    ALA  18           H        ALA  18   1.503  -0.814   3.022
  113    HA   ALA  18           HA       ALA  18   2.575  -2.114   1.327
  114   1HB   ALA  18          1HB       ALA  18   3.274   0.256   1.122
  115   2HB   ALA  18          2HB       ALA  18   4.639  -0.776   0.681
  116   3HB   ALA  18          3HB       ALA  18   4.560  -0.042   2.277
  117    H    ALA  19           H        ALA  19   2.527  -3.681   3.130
  118    HA   ALA  19           HA       ALA  19   3.440  -5.576   4.217
  119   1HB   ALA  19          1HB       ALA  19   5.359  -5.244   1.838
  120   2HB   ALA  19          2HB       ALA  19   3.827  -6.103   1.777
  121   3HB   ALA  19          3HB       ALA  19   5.155  -6.733   2.743
  122    H    LYS  20           H        LYS  20   4.015  -3.372   5.428
  123    HA   LYS  20           HA       LYS  20   5.803  -2.036   6.432
  124   1HB   LYS  20          2HB       LYS  20   4.095  -2.937   7.663
  125   2HB   LYS  20          1HB       LYS  20   4.762  -4.544   7.631
  126   1HG   LYS  20          2HG       LYS  20   6.450  -3.924   9.280
  127   2HG   LYS  20          1HG       LYS  20   6.058  -2.223   9.128
  128   1HD   LYS  20          2HD       LYS  20   4.847  -3.109  11.106
  129   2HD   LYS  20          1HD       LYS  20   3.708  -2.657   9.855
  130   1HE   LYS  20          2HE       LYS  20   2.964  -4.752  10.836
  131   2HE   LYS  20          1HE       LYS  20   3.452  -5.046   9.179
  132   1HZ   LYS  20          1HZ       LYS  20   5.094  -6.419   9.870
  133   2HZ   LYS  20          2HZ       LYS  20   4.663  -6.267  11.488
  134   3HZ   LYS  20          3HZ       LYS  20   5.772  -5.266  10.726
  135    H    GLU  21           H        GLU  21   6.929  -5.303   7.221
  136    HA   GLU  21           HA       GLU  21   9.585  -4.830   7.801
  137   1HB   GLU  21          2HB       GLU  21   8.166  -7.120   6.404
  138   2HB   GLU  21          1HB       GLU  21   9.868  -7.258   6.815
  139   1HG   GLU  21          2HG       GLU  21   8.386  -8.249   8.621
  140   2HG   GLU  21          1HG       GLU  21   9.343  -6.931   9.231
  141    H    PHE  22           H        PHE  22   8.173  -4.894   4.688
  142    HA   PHE  22           HA       PHE  22  10.665  -4.532   3.124
  143   1HB   PHE  22          2HB       PHE  22   8.952  -6.152   2.292
  144   2HB   PHE  22          1HB       PHE  22   7.694  -4.942   2.445
  145    HD1  PHE  22           HD1      PHE  22   7.502  -3.113   0.836
  146    HD2  PHE  22           HD2      PHE  22  10.543  -6.049   0.419
  147    HE1  PHE  22           HE1      PHE  22   7.906  -2.368  -1.472
  148    HE2  PHE  22           HE2      PHE  22  10.954  -5.308  -1.886
  149    HZ   PHE  22           HZ       PHE  22   9.633  -3.466  -2.838
  150    H    ILE  23           H        ILE  23   7.532  -2.719   3.674
  151    HA   ILE  23           HA       ILE  23   8.261  -0.471   2.194
  152    HB   ILE  23           HB       ILE  23   6.143  -0.876   3.816
  153   1HG1  ILE  23          2HG1      ILE  23   6.298   0.956   2.165
  154   2HG1  ILE  23          1HG1      ILE  23   5.526   1.518   3.628
  155   1HG2  ILE  23          1HG2      ILE  23   7.366  -0.666   5.998
  156   2HG2  ILE  23          2HG2      ILE  23   6.140   0.565   5.828
  157   3HG2  ILE  23          3HG2      ILE  23   7.829   0.965   5.595
  158   1HD1  ILE  23          1HD1      ILE  23   7.105   3.215   2.767
  159   2HD1  ILE  23          2HD1      ILE  23   8.412   2.067   2.757
  160   3HD1  ILE  23          3HD1      ILE  23   7.738   2.611   4.281
  161    H    ALA  24           H        ALA  24   9.262  -1.320   5.402
  162    HA   ALA  24           HA       ALA  24  10.883   0.822   6.223
  163   1HB   ALA  24          1HB       ALA  24  10.386  -1.272   7.547
  164   2HB   ALA  24          2HB       ALA  24  12.118  -0.967   7.532
  165   3HB   ALA  24          3HB       ALA  24  11.425  -2.197   6.487
  166    H    TRP  25           H        TRP  25  11.799  -1.896   4.276
  167    HA   TRP  25           HA       TRP  25  14.450  -1.376   3.564
  168   1HB   TRP  25          2HB       TRP  25  12.971  -3.432   2.997
  169   2HB   TRP  25          1HB       TRP  25  12.399  -2.540   1.607
  170    HD1  TRP  25           HD1      TRP  25  15.661  -3.923   3.125
  171    HE1  TRP  25           HE1      TRP  25  17.267  -4.203   1.148
  172    HE3  TRP  25           HE3      TRP  25  12.918  -1.944  -0.540
  173    HZ2  TRP  25           HZ2      TRP  25  17.417  -3.672  -1.647
  174    HZ3  TRP  25           HZ3      TRP  25  13.743  -1.806  -2.874
  175    HH2  TRP  25           HH2      TRP  25  16.004  -2.675  -3.438
  176    H    LEU  26           H        LEU  26  11.654   0.205   2.362
  177    HA   LEU  26           HA       LEU  26  13.100   1.683   0.223
  178   1HB   LEU  26          2HB       LEU  26  10.167   1.606   1.036
  179   2HB   LEU  26          1HB       LEU  26  10.758   2.641  -0.234
  180    HG   LEU  26           HG       LEU  26   9.793   0.742  -1.295
  181   1HD1  LEU  26          1HD1      LEU  26  11.675  -0.316  -2.459
  182   2HD1  LEU  26          2HD1      LEU  26  12.795   0.256  -1.240
  183   3HD1  LEU  26          3HD1      LEU  26  11.962   1.409  -2.276
  184   1HD2  LEU  26          1HD2      LEU  26   9.723  -0.770   0.623
  185   2HD2  LEU  26          2HD2      LEU  26  11.443  -1.005   0.550
  186   3HD2  LEU  26          3HD2      LEU  26  10.440  -1.575  -0.753
  187    H    VAL  27           H        VAL  27  12.058   2.310   3.393
  188    HA   VAL  27           HA       VAL  27  12.484   5.276   3.028
  189    HB   VAL  27           HB       VAL  27  11.279   5.540   5.222
  190   1HG1  VAL  27          1HG1      VAL  27   9.059   4.848   4.349
  191   2HG1  VAL  27          2HG1      VAL  27   9.844   3.818   3.166
  192   3HG1  VAL  27          3HG1      VAL  27  10.028   5.556   3.070
  193   1HG2  VAL  27          1HG2      VAL  27  11.844   3.255   6.202
  194   2HG2  VAL  27          2HG2      VAL  27  10.832   2.536   4.961
  195   3HG2  VAL  27          3HG2      VAL  27  10.118   3.566   6.180
  196    H    LYS  28           H        LYS  28  13.670   2.597   4.853
  197    HA   LYS  28           HA       LYS  28  16.055   4.175   5.670
  198   1HB   LYS  28          2HB       LYS  28  14.199   2.548   7.510
  199   2HB   LYS  28          1HB       LYS  28  15.801   3.024   8.008
  200   1HG   LYS  28          2HG       LYS  28  13.628   5.014   7.124
  201   2HG   LYS  28          1HG       LYS  28  13.960   4.598   8.788
  202   1HD   LYS  28          2HD       LYS  28  16.225   5.470   8.721
  203   2HD   LYS  28          1HD       LYS  28  16.228   5.665   6.995
  204   1HE   LYS  28          2HE       LYS  28  14.390   7.230   8.835
  205   2HE   LYS  28          1HE       LYS  28  15.970   7.809   8.310
  206   1HZ   LYS  28          1HZ       LYS  28  14.597   6.802   6.041
  207   2HZ   LYS  28          2HZ       LYS  28  15.053   8.391   6.298
  208   3HZ   LYS  28          3HZ       LYS  28  13.534   7.840   6.809
  209    H    GLY  29           H        GLY  29  15.491   2.284   3.701
  210   1HA   GLY  29          2HA       GLY  29  17.629   0.244   4.260
  211   2HA   GLY  29          1HA       GLY  29  16.144  -0.247   3.453
  212    H    ARG  30           HN       ARG  30  17.015   2.820   2.636
  213    HA   ARG  30           HA       ARG  30  18.485   2.116   0.162
  214   1HB   ARG  30          2HB       ARG  30  16.508   4.379   0.583
  215   2HB   ARG  30          1HB       ARG  30  17.269   3.991  -0.918
  216   1HG   ARG  30          2HG       ARG  30  15.470   1.879   0.285
  217   2HG   ARG  30          1HG       ARG  30  14.689   3.324  -0.273
  218   1HD   ARG  30          2HD       ARG  30  14.526   2.117  -2.244
  219   2HD   ARG  30          1HD       ARG  30  16.055   2.931  -2.510
  220    HE   ARG  30           HE       ARG  30  16.257   0.339  -2.893
  221   1HH1  ARG  30          1HH2      ARG  30  15.223  -0.518  -0.418
  222   2HH1  ARG  30          2HH2      ARG  30  16.650  -0.838   0.478
  223   1HH2  ARG  30          1HH1      ARG  30  18.558   0.979  -1.669
  224   2HH2  ARG  30          2HH1      ARG  30  18.553   0.004  -0.233
  Start of MODEL   16
    1   1H    HIS   1          1H        HIS   1 -19.524   1.957   8.118
    2   2H    HIS   1          2H        HIS   1 -19.710   3.246   6.994
    3   3H    HIS   1          3H        HIS   1 -19.591   3.606   8.608
    4    HA   HIS   1           HA       HIS   1 -17.451   3.864   8.419
    5   1HB   HIS   1          2HB       HIS   1 -17.370   1.034   7.183
    6   2HB   HIS   1          1HB       HIS   1 -16.025   1.905   7.884
    7    HD1  HIS   1           HD1      HIS   1 -15.840  -0.197   9.346
    8    HD2  HIS   1           HD2      HIS   1 -19.147   2.048  10.234
    9    HE1  HIS   1           HE1      HIS   1 -16.672  -0.955  11.568
   10    H    ALA   2           H        ALA   2 -15.912   4.489   6.819
   11    HA   ALA   2           HA       ALA   2 -15.066   5.111   4.655
   12   1HB   ALA   2          1HB       ALA   2 -16.152   4.223   2.591
   13   2HB   ALA   2          2HB       ALA   2 -17.528   3.649   3.478
   14   3HB   ALA   2          3HB       ALA   2 -15.972   2.872   3.682
   15    H    GLU   3           H        GLU   3 -17.063   6.469   6.275
   16    HA   GLU   3           HA       GLU   3 -18.067   8.475   4.284
   17   1HB   GLU   3          2HB       GLU   3 -20.043   8.811   5.690
   18   2HB   GLU   3          1HB       GLU   3 -19.885   7.105   5.351
   19   1HG   GLU   3          2HG       GLU   3 -18.942   8.377   8.024
   20   2HG   GLU   3          1HG       GLU   3 -20.457   7.570   7.785
   21    H    GLY   4           H        GLY   4 -16.995   8.121   7.571
   22   1HA   GLY   4          2HA       GLY   4 -16.150  11.032   7.579
   23   2HA   GLY   4          1HA       GLY   4 -16.694  10.216   9.018
   24    H    THR   5           H        THR   5 -15.121   8.041   9.176
   25    HA   THR   5           HA       THR   5 -12.285   8.881   8.795
   26    HB   THR   5           HB       THR   5 -13.460   8.502  11.622
   27    HG1  THR   5           HG1      THR   5 -12.954  10.599   9.931
   28   1HG2  THR   5          1HG2      THR   5 -10.651   9.368  10.748
   29   2HG2  THR   5          2HG2      THR   5 -10.964   7.792  11.475
   30   3HG2  THR   5          3HG2      THR   5 -11.263   9.257  12.380
   31    H    PHE   6           H        PHE   6 -10.722   7.364   9.560
   32    HA   PHE   6           HA       PHE   6 -10.579   4.950   8.428
   33   1HB   PHE   6          2HB       PHE   6  -9.480   5.484  11.221
   34   2HB   PHE   6          1HB       PHE   6  -8.774   4.427  10.019
   35    HD1  PHE   6           HD1      PHE   6  -8.675   5.840   7.551
   36    HD2  PHE   6           HD2      PHE   6  -8.244   7.432  11.471
   37    HE1  PHE   6           HE1      PHE   6  -7.403   7.725   6.640
   38    HE2  PHE   6           HE2      PHE   6  -6.968   9.323  10.559
   39    HZ   PHE   6           HZ       PHE   6  -6.545   9.474   8.144
   40    H    THR   7           H        THR   7 -12.836   4.269   8.664
   41    HA   THR   7           HA       THR   7 -13.222   2.101  10.736
   42    HB   THR   7           HB       THR   7 -15.710   2.409  10.339
   43    HG1  THR   7           HG1      THR   7 -14.754   4.736   9.050
   44   1HG2  THR   7          1HG2      THR   7 -14.670   3.761  12.162
   45   2HG2  THR   7          2HG2      THR   7 -15.990   4.596  11.356
   46   3HG2  THR   7          3HG2      THR   7 -14.329   5.036  11.025
   47    H    SER   8           H        SER   8 -13.234   2.952   7.502
   48    HA   SER   8           HA       SER   8 -13.663   0.111   6.514
   49   1HB   SER   8          2HB       SER   8 -15.581   1.590   5.798
   50   2HB   SER   8          1HB       SER   8 -14.426   2.743   5.115
   51    HG   SER   8           HG       SER   8 -14.147   1.351   3.465
   52    H    ASP   9           H        ASP   9 -12.662   3.177   5.663
   53    HA   ASP   9           HA       ASP   9 -10.875   3.363   3.731
   54   1HB   ASP   9          2HB       ASP   9 -10.158   4.646   6.428
   55   2HB   ASP   9          1HB       ASP   9 -10.279   5.405   4.858
   56    H    VAL  10           H        VAL  10  -9.986   2.491   6.897
   57    HA   VAL  10           HA       VAL  10  -7.393   1.898   7.205
   58    HB   VAL  10           HB       VAL  10  -9.736   0.022   7.807
   59   1HG1  VAL  10          1HG1      VAL  10  -6.890  -0.072   8.951
   60   2HG1  VAL  10          2HG1      VAL  10  -7.596  -1.290   7.903
   61   3HG1  VAL  10          3HG1      VAL  10  -8.243  -1.040   9.504
   62   1HG2  VAL  10          1HG2      VAL  10  -8.121   1.964   9.545
   63   2HG2  VAL  10          2HG2      VAL  10  -9.474   0.999  10.093
   64   3HG2  VAL  10          3HG2      VAL  10  -9.733   2.277   8.929
   65    H    SER  11           H        SER  11  -9.410  -0.325   5.433
   66    HA   SER  11           HA       SER  11  -7.913  -2.412   4.579
   67   1HB   SER  11          2HB       SER  11  -9.520  -0.600   2.703
   68   2HB   SER  11          1HB       SER  11  -9.139  -2.312   2.419
   69    HG   SER  11           HG       SER  11 -10.799  -1.169   4.418
   70    H    SER  12           H        SER  12  -7.563   0.732   3.121
   71    HA   SER  12           HA       SER  12  -5.262  -0.120   1.478
   72   1HB   SER  12          2HB       SER  12  -6.586   2.610   1.939
   73   2HB   SER  12          1HB       SER  12  -5.106   2.408   0.967
   74    HG   SER  12           HG       SER  12  -6.052   1.033  -0.278
   75    H    TYR  13           H        TYR  13  -5.750   1.937   4.282
   76    HA   TYR  13           HA       TYR  13  -3.178   2.844   4.822
   77   1HB   TYR  13          2HB       TYR  13  -5.257   3.096   6.394
   78   2HB   TYR  13          1HB       TYR  13  -4.839   1.506   7.047
   79    HD1  TYR  13           HD1      TYR  13  -3.487   4.885   6.346
   80    HD2  TYR  13           HD2      TYR  13  -3.003   1.306   8.587
   81    HE1  TYR  13           HE1      TYR  13  -1.657   5.930   7.624
   82    HE2  TYR  13           HE2      TYR  13  -1.167   2.376   9.862
   83    HH   TYR  13           HH       TYR  13  -0.668   5.354  10.146
   84    H    LEU  14           H        LEU  14  -4.292  -0.322   5.097
   85    HA   LEU  14           HA       LEU  14  -1.938  -1.619   6.252
   86   1HB   LEU  14          2HB       LEU  14  -4.515  -2.548   5.038
   87   2HB   LEU  14          1HB       LEU  14  -3.239  -3.704   5.323
   88    HG   LEU  14           HG       LEU  14  -4.779  -3.650   7.210
   89   1HD1  LEU  14          1HD1      LEU  14  -2.122  -2.401   8.034
   90   2HD1  LEU  14          2HD1      LEU  14  -2.412  -4.108   7.742
   91   3HD1  LEU  14          3HD1      LEU  14  -3.217  -3.284   9.063
   92   1HD2  LEU  14          1HD2      LEU  14  -5.551  -1.332   7.031
   93   2HD2  LEU  14          2HD2      LEU  14  -3.987  -0.735   7.554
   94   3HD2  LEU  14          3HD2      LEU  14  -4.989  -1.655   8.657
   95    H    GLU  15           H        GLU  15  -3.264  -1.531   2.869
   96    HA   GLU  15           HA       GLU  15  -1.019  -2.972   1.712
   97   1HB   GLU  15          2HB       GLU  15  -2.256  -2.578  -0.259
   98   2HB   GLU  15          1HB       GLU  15  -3.405  -1.720   0.717
   99   1HG   GLU  15          2HG       GLU  15  -1.072  -0.031  -0.267
  100   2HG   GLU  15          1HG       GLU  15  -2.203  -0.595  -1.453
  101    H    GLY  16           H        GLY  16  -1.682   0.377   2.270
  102   1HA   GLY  16          2HA       GLY  16   0.783   1.614   1.539
  103   2HA   GLY  16          1HA       GLY  16  -0.321   2.265   2.759
  104    H    GLN  17           H        GLN  17  -0.222   0.022   4.466
  105    HA   GLN  17           HA       GLN  17   2.031   0.564   6.185
  106   1HB   GLN  17          2HB       GLN  17  -0.205  -0.703   6.750
  107   2HB   GLN  17          1HB       GLN  17   0.566  -2.131   6.086
  108   1HG   GLN  17          2HG       GLN  17   1.030  -2.345   8.407
  109   2HG   GLN  17          1HG       GLN  17   2.516  -1.695   7.759
  110   1HE2  GLN  17          1HE2      GLN  17   0.603  -1.333  10.378
  111   2HE2  GLN  17          2HE2      GLN  17   0.887   0.326  10.643
  112    H    ALA  18           H        ALA  18   1.445  -2.127   4.047
  113    HA   ALA  18           HA       ALA  18   3.999  -3.404   4.187
  114   1HB   ALA  18          1HB       ALA  18   2.086  -3.164   1.779
  115   2HB   ALA  18          2HB       ALA  18   1.955  -4.376   3.040
  116   3HB   ALA  18          3HB       ALA  18   3.330  -4.388   1.946
  117    H    ALA  19           H        ALA  19   2.872  -0.969   1.906
  118    HA   ALA  19           HA       ALA  19   5.269  -0.469   0.468
  119   1HB   ALA  19          1HB       ALA  19   4.293   1.837   0.083
  120   2HB   ALA  19          2HB       ALA  19   3.189   1.601   1.423
  121   3HB   ALA  19          3HB       ALA  19   3.031   0.617  -0.015
  122    H    LYS  20           H        LYS  20   4.278   1.207   3.428
  123    HA   LYS  20           HA       LYS  20   6.596   2.718   4.002
  124   1HB   LYS  20          2HB       LYS  20   4.931   1.141   6.019
  125   2HB   LYS  20          1HB       LYS  20   5.989   2.466   6.432
  126   1HG   LYS  20          2HG       LYS  20   4.587   4.087   5.306
  127   2HG   LYS  20          1HG       LYS  20   3.642   2.842   4.520
  128   1HD   LYS  20          2HD       LYS  20   3.181   2.001   7.025
  129   2HD   LYS  20          1HD       LYS  20   3.723   3.593   7.479
  130   1HE   LYS  20          2HE       LYS  20   1.926   4.695   6.391
  131   2HE   LYS  20          1HE       LYS  20   1.502   3.251   5.458
  132   1HZ   LYS  20          1HZ       LYS  20   0.638   3.878   8.145
  133   2HZ   LYS  20          2HZ       LYS  20   1.571   2.487   8.136
  134   3HZ   LYS  20          3HZ       LYS  20   0.233   2.546   7.164
  135    H    GLU  21           H        GLU  21   5.994  -0.561   5.167
  136    HA   GLU  21           HA       GLU  21   8.583  -0.991   6.289
  137   1HB   GLU  21          2HB       GLU  21   6.738  -2.490   6.827
  138   2HB   GLU  21          1HB       GLU  21   6.542  -2.955   5.147
  139   1HG   GLU  21          2HG       GLU  21   7.787  -4.752   6.384
  140   2HG   GLU  21          1HG       GLU  21   8.863  -4.053   5.214
  141    H    PHE  22           H        PHE  22   7.527  -1.466   2.974
  142    HA   PHE  22           HA       PHE  22   9.941  -2.776   2.041
  143   1HB   PHE  22          2HB       PHE  22   7.739  -2.770   0.741
  144   2HB   PHE  22          1HB       PHE  22   7.886  -1.034   0.520
  145    HD1  PHE  22           HD1      PHE  22   9.957  -0.143  -0.695
  146    HD2  PHE  22           HD2      PHE  22   8.896  -4.253  -0.723
  147    HE1  PHE  22           HE1      PHE  22  11.408  -0.493  -2.636
  148    HE2  PHE  22           HE2      PHE  22  10.344  -4.616  -2.670
  149    HZ   PHE  22           HZ       PHE  22  11.609  -2.734  -3.631
  150    H    ILE  23           H        ILE  23   8.809   0.547   2.182
  151    HA   ILE  23           HA       ILE  23  11.119   1.683   1.069
  152    HB   ILE  23           HB       ILE  23   9.395   2.809   3.366
  153   1HG1  ILE  23          2HG1      ILE  23   8.024   2.430   1.378
  154   2HG1  ILE  23          1HG1      ILE  23   8.220   4.138   1.644
  155   1HG2  ILE  23          1HG2      ILE  23  10.233   5.066   2.713
  156   2HG2  ILE  23          2HG2      ILE  23  11.316   4.326   1.546
  157   3HG2  ILE  23          3HG2      ILE  23  11.541   4.034   3.258
  158   1HD1  ILE  23          1HD1      ILE  23   9.796   2.487  -0.408
  159   2HD1  ILE  23          2HD1      ILE  23   9.997   4.212  -0.147
  160   3HD1  ILE  23          3HD1      ILE  23   8.486   3.588  -0.771
  161    H    ALA  24           H        ALA  24  10.369   1.108   4.424
  162    HA   ALA  24           HA       ALA  24  12.851   1.663   5.661
  163   1HB   ALA  24          1HB       ALA  24  10.701   1.138   6.859
  164   2HB   ALA  24          2HB       ALA  24  11.975   0.098   7.469
  165   3HB   ALA  24          3HB       ALA  24  10.794  -0.522   6.330
  166    H    TRP  25           H        TRP  25  11.853  -1.266   4.050
  167    HA   TRP  25           HA       TRP  25  13.857  -3.116   4.531
  168   1HB   TRP  25          2HB       TRP  25  11.733  -3.168   2.980
  169   2HB   TRP  25          1HB       TRP  25  12.800  -2.616   1.718
  170    HD1  TRP  25           HD1      TRP  25  13.591  -5.329   4.367
  171    HE1  TRP  25           HE1      TRP  25  14.013  -7.454   3.023
  172    HE3  TRP  25           HE3      TRP  25  12.624  -3.682  -0.272
  173    HZ2  TRP  25           HZ2      TRP  25  13.957  -8.404   0.346
  174    HZ3  TRP  25           HZ3      TRP  25  12.798  -5.172  -2.232
  175    HH2  TRP  25           HH2      TRP  25  13.466  -7.548  -1.937
  176    H    LEU  26           H        LEU  26  14.244  -0.257   2.625
  177    HA   LEU  26           HA       LEU  26  17.004  -1.051   1.805
  178   1HB   LEU  26          2HB       LEU  26  15.036   1.072   0.873
  179   2HB   LEU  26          1HB       LEU  26  16.716   1.136   0.393
  180    HG   LEU  26           HG       LEU  26  16.522  -1.135  -0.621
  181   1HD1  LEU  26          1HD1      LEU  26  14.214  -2.030  -1.043
  182   2HD1  LEU  26          2HD1      LEU  26  13.534  -0.774  -0.024
  183   3HD1  LEU  26          3HD1      LEU  26  14.566  -2.009   0.661
  184   1HD2  LEU  26          1HD2      LEU  26  14.483   0.932  -1.552
  185   2HD2  LEU  26          2HD2      LEU  26  15.142  -0.353  -2.554
  186   3HD2  LEU  26          3HD2      LEU  26  16.194   0.920  -1.958
  187    H    VAL  27           H        VAL  27  16.076   0.041   4.377
  188    HA   VAL  27           HA       VAL  27  18.366   1.917   4.922
  189    HB   VAL  27           HB       VAL  27  15.532   2.005   6.133
  190   1HG1  VAL  27          1HG1      VAL  27  17.948   3.850   6.547
  191   2HG1  VAL  27          2HG1      VAL  27  17.355   2.713   7.742
  192   3HG1  VAL  27          3HG1      VAL  27  16.366   4.081   7.268
  193   1HG2  VAL  27          1HG2      VAL  27  15.392   4.225   4.977
  194   2HG2  VAL  27          2HG2      VAL  27  15.654   2.940   3.813
  195   3HG2  VAL  27          3HG2      VAL  27  16.988   3.966   4.293
  196    H    LYS  28           H        LYS  28  16.088  -0.310   6.047
  197    HA   LYS  28           HA       LYS  28  17.785  -1.434   8.217
  198   1HB   LYS  28          2HB       LYS  28  15.782  -0.373   9.005
  199   2HB   LYS  28          1HB       LYS  28  14.790  -1.075   7.770
  200   1HG   LYS  28          2HG       LYS  28  15.907  -3.301   9.276
  201   2HG   LYS  28          1HG       LYS  28  15.490  -2.084  10.453
  202   1HD   LYS  28          2HD       LYS  28  13.471  -3.459  10.113
  203   2HD   LYS  28          1HD       LYS  28  13.154  -1.897   9.389
  204   1HE   LYS  28          2HE       LYS  28  13.880  -2.883   7.153
  205   2HE   LYS  28          1HE       LYS  28  13.980  -4.446   7.951
  206   1HZ   LYS  28          1HZ       LYS  28  11.641  -4.602   7.728
  207   2HZ   LYS  28          2HZ       LYS  28  11.616  -3.141   6.989
  208   3HZ   LYS  28          3HZ       LYS  28  11.410  -3.238   8.556
  209    H    GLY  29           H        GLY  29  18.807  -2.583   6.237
  210   1HA   GLY  29          2HA       GLY  29  18.613  -5.288   6.282
  211   2HA   GLY  29          1HA       GLY  29  17.228  -4.944   5.304
  212    H    ARG  30           HN       ARG  30  17.760  -3.844   3.120
  213    HA   ARG  30           HA       ARG  30  20.460  -4.471   2.133
  214   1HB   ARG  30          2HB       ARG  30  19.166  -5.909   0.233
  215   2HB   ARG  30          1HB       ARG  30  19.852  -6.613   1.664
  216   1HG   ARG  30          2HG       ARG  30  17.841  -7.355   2.417
  217   2HG   ARG  30          1HG       ARG  30  17.097  -5.795   2.274
  218   1HD   ARG  30          2HD       ARG  30  17.482  -7.527  -0.187
  219   2HD   ARG  30          1HD       ARG  30  16.101  -7.785   0.863
  220    HE   ARG  30           HE       ARG  30  15.284  -5.936  -0.653
  221   1HH1  ARG  30          1HH2      ARG  30  17.685  -4.920  -1.601
  222   2HH1  ARG  30          2HH2      ARG  30  17.865  -3.441  -0.730
  223   1HH2  ARG  30          1HH1      ARG  30  15.464  -4.305   1.508
  224   2HH2  ARG  30          2HH1      ARG  30  16.603  -3.089   1.020
  Start of MODEL   17
    1   1H    HIS   1          1H        HIS   1 -18.746  -1.768   7.874
    2   2H    HIS   1          2H        HIS   1 -17.737  -1.153   9.028
    3   3H    HIS   1          3H        HIS   1 -18.576  -0.084   8.023
    4    HA   HIS   1           HA       HIS   1 -19.334  -1.142  10.547
    5   1HB   HIS   1          2HB       HIS   1 -21.504   0.315   9.069
    6   2HB   HIS   1          1HB       HIS   1 -20.642   0.833  10.499
    7    HD1  HIS   1           HD1      HIS   1 -17.960   1.461   9.632
    8    HD2  HIS   1           HD2      HIS   1 -21.101   2.118   7.097
    9    HE1  HIS   1           HE1      HIS   1 -17.198   3.134   7.939
   10    H    ALA   2           H        ALA   2 -19.329  -3.337   9.921
   11    HA   ALA   2           HA       ALA   2 -21.846  -4.669   9.801
   12   1HB   ALA   2          1HB       ALA   2 -20.145  -4.797   7.225
   13   2HB   ALA   2          2HB       ALA   2 -21.705  -3.998   7.345
   14   3HB   ALA   2          3HB       ALA   2 -21.591  -5.737   7.529
   15    H    GLU   3           H        GLU   3 -18.518  -4.592   9.353
   16    HA   GLU   3           HA       GLU   3 -17.865  -7.309  10.257
   17   1HB   GLU   3          2HB       GLU   3 -15.627  -6.660   9.382
   18   2HB   GLU   3          1HB       GLU   3 -16.863  -6.327   8.206
   19   1HG   GLU   3          2HG       GLU   3 -15.293  -4.223   9.863
   20   2HG   GLU   3          1HG       GLU   3 -15.268  -4.446   8.154
   21    H    GLY   4           H        GLY   4 -16.675  -4.160  11.039
   22   1HA   GLY   4          2HA       GLY   4 -16.891  -4.446  13.978
   23   2HA   GLY   4          1HA       GLY   4 -15.228  -4.353  13.380
   24    H    THR   5           H        THR   5 -14.899  -2.650  11.815
   25    HA   THR   5           HA       THR   5 -16.157  -0.040  12.590
   26    HB   THR   5           HB       THR   5 -13.784   0.884  11.862
   27    HG1  THR   5           HG1      THR   5 -12.659  -0.590  11.030
   28   1HG2  THR   5          1HG2      THR   5 -12.605   0.015  13.829
   29   2HG2  THR   5          2HG2      THR   5 -13.683  -1.366  13.934
   30   3HG2  THR   5          3HG2      THR   5 -14.276   0.239  14.350
   31    H    PHE   6           H        PHE   6 -14.036  -0.858   9.941
   32    HA   PHE   6           HA       PHE   6 -16.135  -0.708   7.915
   33   1HB   PHE   6          2HB       PHE   6 -15.709   1.687   8.385
   34   2HB   PHE   6          1HB       PHE   6 -14.026   1.441   8.071
   35    HD1  PHE   6           HD1      PHE   6 -14.090   3.216   6.473
   36    HD2  PHE   6           HD2      PHE   6 -16.386  -0.298   5.783
   37    HE1  PHE   6           HE1      PHE   6 -14.345   3.832   4.106
   38    HE2  PHE   6           HE2      PHE   6 -16.634   0.306   3.444
   39    HZ   PHE   6           HZ       PHE   6 -15.618   2.377   2.582
   40    H    THR   7           H        THR   7 -15.752  -2.225   6.495
   41    HA   THR   7           HA       THR   7 -13.646  -3.828   5.945
   42    HB   THR   7           HB       THR   7 -14.363  -4.003   3.530
   43    HG1  THR   7           HG1      THR   7 -15.111  -2.163   2.744
   44   1HG2  THR   7          1HG2      THR   7 -16.785  -3.188   5.214
   45   2HG2  THR   7          2HG2      THR   7 -16.086  -4.793   5.324
   46   3HG2  THR   7          3HG2      THR   7 -16.779  -4.226   3.811
   47    H    SER   8           H        SER   8 -13.586  -0.517   4.919
   48    HA   SER   8           HA       SER   8 -11.103  -0.902   3.319
   49   1HB   SER   8          2HB       SER   8 -12.987   0.715   2.631
   50   2HB   SER   8          1HB       SER   8 -12.377   1.785   3.901
   51    HG   SER   8           HG       SER   8 -10.311   0.661   2.415
   52    H    ASP   9           H        ASP   9 -11.687  -0.010   6.581
   53    HA   ASP   9           HA       ASP   9  -9.641   1.788   7.189
   54   1HB   ASP   9          2HB       ASP   9 -10.842  -0.638   8.649
   55   2HB   ASP   9          1HB       ASP   9  -9.842   0.530   9.500
   56    H    VAL  10           H        VAL  10  -9.651  -1.577   6.773
   57    HA   VAL  10           HA       VAL  10  -6.967  -2.421   7.226
   58    HB   VAL  10           HB       VAL  10  -8.889  -3.395   5.019
   59   1HG1  VAL  10          1HG1      VAL  10  -6.544  -4.815   6.393
   60   2HG1  VAL  10          2HG1      VAL  10  -6.522  -4.225   4.741
   61   3HG1  VAL  10          3HG1      VAL  10  -7.601  -5.530   5.190
   62   1HG2  VAL  10          1HG2      VAL  10  -9.532  -5.135   6.670
   63   2HG2  VAL  10          2HG2      VAL  10  -9.896  -3.543   7.301
   64   3HG2  VAL  10          3HG2      VAL  10  -8.482  -4.410   7.874
   65    H    SER  11           H        SER  11  -8.447  -1.271   4.237
   66    HA   SER  11           HA       SER  11  -6.138  -1.111   2.553
   67   1HB   SER  11          2HB       SER  11  -8.242   1.092   2.334
   68   2HB   SER  11          1HB       SER  11  -7.519   0.107   1.078
   69    HG   SER  11           HG       SER  11  -9.058  -1.287   1.307
   70    H    SER  12           H        SER  12  -7.744   1.486   4.198
   71    HA   SER  12           HA       SER  12  -5.987   3.619   4.091
   72   1HB   SER  12          2HB       SER  12  -8.040   3.715   5.468
   73   2HB   SER  12          1HB       SER  12  -7.317   2.677   6.697
   74    HG   SER  12           HG       SER  12  -6.255   4.406   7.408
   75    H    TYR  13           H        TYR  13  -5.614   1.106   6.501
   76    HA   TYR  13           HA       TYR  13  -3.068   1.963   7.542
   77   1HB   TYR  13          2HB       TYR  13  -4.689   0.254   8.590
   78   2HB   TYR  13          1HB       TYR  13  -4.155  -0.904   7.388
   79    HD1  TYR  13           HD1      TYR  13  -1.691  -1.575   7.350
   80    HD2  TYR  13           HD2      TYR  13  -3.357   0.726  10.502
   81    HE1  TYR  13           HE1      TYR  13   0.249  -2.115   8.782
   82    HE2  TYR  13           HE2      TYR  13  -1.411   0.184  11.922
   83    HH   TYR  13           HH       TYR  13   0.310  -1.985  11.818
   84    H    LEU  14           H        LEU  14  -3.834  -0.356   4.995
   85    HA   LEU  14           HA       LEU  14  -1.093  -0.983   4.253
   86   1HB   LEU  14          2HB       LEU  14  -3.405  -2.194   3.675
   87   2HB   LEU  14          1HB       LEU  14  -3.534  -1.008   2.405
   88    HG   LEU  14           HG       LEU  14  -1.106  -2.854   2.653
   89   1HD1  LEU  14          1HD1      LEU  14  -3.601  -3.044   0.909
   90   2HD1  LEU  14          2HD1      LEU  14  -3.231  -4.126   2.241
   91   3HD1  LEU  14          3HD1      LEU  14  -2.218  -4.122   0.805
   92   1HD2  LEU  14          1HD2      LEU  14  -2.236  -1.139   0.389
   93   2HD2  LEU  14          2HD2      LEU  14  -0.813  -2.165   0.258
   94   3HD2  LEU  14          3HD2      LEU  14  -0.789  -0.754   1.288
   95    H    GLU  15           H        GLU  15  -3.418   1.184   2.520
   96    HA   GLU  15           HA       GLU  15  -1.623   2.420   0.785
   97   1HB   GLU  15          2HB       GLU  15  -3.907   3.580   2.433
   98   2HB   GLU  15          1HB       GLU  15  -3.044   4.594   1.290
   99   1HG   GLU  15          2HG       GLU  15  -4.906   3.767  -0.011
  100   2HG   GLU  15          1HG       GLU  15  -3.641   2.650  -0.460
  101    H    GLY  16           H        GLY  16  -2.221   3.336   4.104
  102   1HA   GLY  16          2HA       GLY  16  -0.315   5.377   4.562
  103   2HA   GLY  16          1HA       GLY  16  -0.862   4.261   5.816
  104    H    GLN  17           H        GLN  17   0.121   1.920   4.920
  105    HA   GLN  17           HA       GLN  17   2.591   1.453   5.938
  106   1HB   GLN  17          2HB       GLN  17   1.586   0.331   3.271
  107   2HB   GLN  17          1HB       GLN  17   3.053  -0.163   3.978
  108   1HG   GLN  17          2HG       GLN  17   0.534  -0.401   5.628
  109   2HG   GLN  17          1HG       GLN  17   1.046  -1.673   4.533
  110   1HE2  GLN  17          1HE2      GLN  17   3.683  -2.031   4.884
  111   2HE2  GLN  17          2HE2      GLN  17   4.042  -2.271   6.512
  112    H    ALA  18           H        ALA  18   2.197   2.517   2.721
  113    HA   ALA  18           HA       ALA  18   4.360   2.821   1.295
  114   1HB   ALA  18          1HB       ALA  18   2.359   4.205   0.949
  115   2HB   ALA  18          2HB       ALA  18   3.769   5.248   0.830
  116   3HB   ALA  18          3HB       ALA  18   2.788   5.236   2.292
  117    H    ALA  19           H        ALA  19   4.304   4.962   4.060
  118    HA   ALA  19           HA       ALA  19   7.132   5.746   3.765
  119   1HB   ALA  19          1HB       ALA  19   5.397   7.264   4.765
  120   2HB   ALA  19          2HB       ALA  19   6.674   6.977   5.933
  121   3HB   ALA  19          3HB       ALA  19   5.138   6.136   6.081
  122    H    LYS  20           H        LYS  20   5.431   3.909   6.210
  123    HA   LYS  20           HA       LYS  20   7.564   2.868   7.748
  124   1HB   LYS  20          2HB       LYS  20   5.137   2.776   8.257
  125   2HB   LYS  20          1HB       LYS  20   4.868   1.730   6.879
  126   1HG   LYS  20          2HG       LYS  20   6.403   0.012   8.041
  127   2HG   LYS  20          1HG       LYS  20   6.270   0.995   9.488
  128   1HD   LYS  20          2HD       LYS  20   3.875   0.088   7.831
  129   2HD   LYS  20          1HD       LYS  20   4.472  -0.902   9.136
  130   1HE   LYS  20          2HE       LYS  20   3.816   0.741  10.795
  131   2HE   LYS  20          1HE       LYS  20   3.500   1.959   9.560
  132   1HZ   LYS  20          1HZ       LYS  20   1.394   1.059   9.301
  133   2HZ   LYS  20          2HZ       LYS  20   1.705  -0.153  10.424
  134   3HZ   LYS  20          3HZ       LYS  20   2.099  -0.369   8.842
  135    H    GLU  21           H        GLU  21   6.019   1.540   4.955
  136    HA   GLU  21           HA       GLU  21   7.557  -0.765   4.444
  137   1HB   GLU  21          2HB       GLU  21   5.927   1.109   2.708
  138   2HB   GLU  21          1HB       GLU  21   6.777  -0.222   1.958
  139   1HG   GLU  21          2HG       GLU  21   4.944  -0.619   4.366
  140   2HG   GLU  21          1HG       GLU  21   4.386  -0.764   2.688
  141    H    PHE  22           H        PHE  22   8.226   2.547   3.533
  142    HA   PHE  22           HA       PHE  22  10.464   1.882   1.824
  143   1HB   PHE  22          2HB       PHE  22   9.271   4.044   1.504
  144   2HB   PHE  22          1HB       PHE  22   9.638   4.543   3.148
  145    HD1  PHE  22           HD1      PHE  22  12.116   4.721   3.832
  146    HD2  PHE  22           HD2      PHE  22  10.869   4.406  -0.204
  147    HE1  PHE  22           HE1      PHE  22  14.319   5.492   3.121
  148    HE2  PHE  22           HE2      PHE  22  13.087   5.187  -0.955
  149    HZ   PHE  22           HZ       PHE  22  14.826   5.711   0.742
  150    H    ILE  23           H        ILE  23  10.013   3.079   5.065
  151    HA   ILE  23           HA       ILE  23  12.731   3.240   5.829
  152    HB   ILE  23           HB       ILE  23  10.222   2.639   7.534
  153   1HG1  ILE  23          2HG1      ILE  23  11.722   5.267   7.069
  154   2HG1  ILE  23          1HG1      ILE  23  10.285   4.820   6.179
  155   1HG2  ILE  23          1HG2      ILE  23  12.372   2.061   8.754
  156   2HG2  ILE  23          2HG2      ILE  23  11.605   3.454   9.477
  157   3HG2  ILE  23          3HG2      ILE  23  12.983   3.667   8.417
  158   1HD1  ILE  23          1HD1      ILE  23   8.988   4.697   8.323
  159   2HD1  ILE  23          2HD1      ILE  23   9.677   6.291   8.078
  160   3HD1  ILE  23          3HD1      ILE  23  10.419   5.186   9.215
  161    H    ALA  24           H        ALA  24  10.525   0.566   6.257
  162    HA   ALA  24           HA       ALA  24  12.643  -1.254   7.210
  163   1HB   ALA  24          1HB       ALA  24  10.261  -1.392   7.986
  164   2HB   ALA  24          2HB       ALA  24  10.717  -2.898   7.205
  165   3HB   ALA  24          3HB       ALA  24   9.727  -1.718   6.348
  166    H    TRP  25           H        TRP  25  11.257  -0.361   4.245
  167    HA   TRP  25           HA       TRP  25  11.436  -2.193   2.352
  168   1HB   TRP  25          2HB       TRP  25  11.480   0.398   2.100
  169   2HB   TRP  25          1HB       TRP  25  13.176   0.232   1.768
  170    HD1  TRP  25           HD1      TRP  25  11.915  -2.802   0.466
  171    HE1  TRP  25           HE1      TRP  25  11.297  -2.499  -2.013
  172    HE3  TRP  25           HE3      TRP  25  11.944   2.074   0.255
  173    HZ2  TRP  25           HZ2      TRP  25  10.854  -0.378  -3.898
  174    HZ3  TRP  25           HZ3      TRP  25  11.421   3.355  -1.874
  175    HH2  TRP  25           HH2      TRP  25  10.885   2.108  -3.930
  176    H    LEU  26           H        LEU  26  14.309  -0.633   3.284
  177    HA   LEU  26           HA       LEU  26  16.203  -1.979   1.755
  178   1HB   LEU  26          2HB       LEU  26  17.574  -0.479   2.955
  179   2HB   LEU  26          1HB       LEU  26  16.029   0.161   3.387
  180    HG   LEU  26           HG       LEU  26  17.637  -1.686   5.156
  181   1HD1  LEU  26          1HD1      LEU  26  18.330   0.714   4.974
  182   2HD1  LEU  26          2HD1      LEU  26  17.624   0.378   6.552
  183   3HD1  LEU  26          3HD1      LEU  26  16.680   1.211   5.333
  184   1HD2  LEU  26          1HD2      LEU  26  14.897  -0.400   5.446
  185   2HD2  LEU  26          2HD2      LEU  26  15.726  -1.238   6.738
  186   3HD2  LEU  26          3HD2      LEU  26  15.185  -2.111   5.331
  187    H    VAL  27           H        VAL  27  14.651  -3.546   4.192
  188    HA   VAL  27           HA       VAL  27  16.807  -5.644   4.393
  189    HB   VAL  27           HB       VAL  27  14.183  -5.148   5.941
  190   1HG1  VAL  27          1HG1      VAL  27  14.652  -7.628   5.691
  191   2HG1  VAL  27          2HG1      VAL  27  14.873  -7.107   7.349
  192   3HG1  VAL  27          3HG1      VAL  27  16.268  -7.371   6.316
  193   1HG2  VAL  27          1HG2      VAL  27  16.156  -3.721   6.566
  194   2HG2  VAL  27          2HG2      VAL  27  17.118  -5.164   6.811
  195   3HG2  VAL  27          3HG2      VAL  27  15.748  -4.832   7.859
  196    H    LYS  28           H        LYS  28  13.807  -4.795   3.221
  197    HA   LYS  28           HA       LYS  28  13.359  -7.282   1.642
  198   1HB   LYS  28          2HB       LYS  28  10.863  -6.656   1.916
  199   2HB   LYS  28          1HB       LYS  28  11.694  -7.181   3.372
  200   1HG   LYS  28          2HG       LYS  28  11.903  -4.984   4.260
  201   2HG   LYS  28          1HG       LYS  28  11.715  -4.229   2.705
  202   1HD   LYS  28          2HD       LYS  28   9.420  -5.638   4.135
  203   2HD   LYS  28          1HD       LYS  28   9.754  -3.924   4.294
  204   1HE   LYS  28          2HE       LYS  28   9.628  -3.813   1.710
  205   2HE   LYS  28          1HE       LYS  28   8.921  -5.421   1.794
  206   1HZ   LYS  28          1HZ       LYS  28   7.613  -2.946   2.373
  207   2HZ   LYS  28          2HZ       LYS  28   7.613  -3.778   3.773
  208   3HZ   LYS  28          3HZ       LYS  28   6.906  -4.370   2.420
  209    H    GLY  29           H        GLY  29  14.871  -5.452   0.256
  210   1HA   GLY  29          2HA       GLY  29  13.843  -5.112  -2.218
  211   2HA   GLY  29          1HA       GLY  29  12.984  -3.849  -1.431
  212    H    ARG  30           HN       ARG  30  14.661  -1.967  -0.560
  213    HA   ARG  30           HA       ARG  30  16.849  -1.703  -2.573
  214   1HB   ARG  30          2HB       ARG  30  16.028   0.366  -3.417
  215   2HB   ARG  30          1HB       ARG  30  14.674  -0.745  -3.447
  216   1HG   ARG  30          2HG       ARG  30  13.520   0.844  -2.300
  217   2HG   ARG  30          1HG       ARG  30  14.415   0.332  -0.896
  218   1HD   ARG  30          2HD       ARG  30  16.190   2.123  -2.123
  219   2HD   ARG  30          1HD       ARG  30  14.658   2.796  -2.623
  220    HE   ARG  30           HE       ARG  30  14.975   3.827  -0.395
  221   1HH1  ARG  30          1HH2      ARG  30  16.443   1.232   0.039
  222   2HH1  ARG  30          2HH2      ARG  30  15.886   0.710   1.530
  223   1HH2  ARG  30          1HH1      ARG  30  13.366   3.216   1.139
  224   2HH2  ARG  30          2HH1      ARG  30  13.852   2.022   2.266
  Start of MODEL   18
    1   1H    HIS   1          1H        HIS   1 -16.859   1.091   4.044
    2   2H    HIS   1          2H        HIS   1 -16.375   0.225   2.700
    3   3H    HIS   1          3H        HIS   1 -16.330  -0.439   4.251
    4    HA   HIS   1           HA       HIS   1 -18.928   0.527   3.683
    5   1HB   HIS   1          2HB       HIS   1 -18.116  -1.788   1.868
    6   2HB   HIS   1          1HB       HIS   1 -19.607  -0.873   1.838
    7    HD1  HIS   1           HD1      HIS   1 -18.569   1.960   1.568
    8    HD2  HIS   1           HD2      HIS   1 -16.882  -1.179  -0.429
    9    HE1  HIS   1           HE1      HIS   1 -17.422   2.902  -0.419
   10    H    ALA   2           H        ALA   2 -17.139  -2.555   4.229
   11    HA   ALA   2           HA       ALA   2 -19.212  -4.217   5.115
   12   1HB   ALA   2          1HB       ALA   2 -16.374  -3.859   6.236
   13   2HB   ALA   2          2HB       ALA   2 -16.819  -4.903   4.894
   14   3HB   ALA   2          3HB       ALA   2 -17.386  -5.271   6.508
   15    H    GLU   3           H        GLU   3 -17.603  -1.879   6.791
   16    HA   GLU   3           HA       GLU   3 -19.102  -1.858   9.324
   17   1HB   GLU   3          2HB       GLU   3 -17.276  -0.033   9.820
   18   2HB   GLU   3          1HB       GLU   3 -16.750  -1.690   9.662
   19   1HG   GLU   3          2HG       GLU   3 -15.758   0.635   8.278
   20   2HG   GLU   3          1HG       GLU   3 -15.244  -1.002   8.078
   21    H    GLY   4           H        GLY   4 -20.092  -0.808   6.707
   22   1HA   GLY   4          2HA       GLY   4 -22.085   0.658   6.620
   23   2HA   GLY   4          1HA       GLY   4 -21.300   1.748   7.742
   24    H    THR   5           H        THR   5 -19.113   2.580   6.731
   25    HA   THR   5           HA       THR   5 -19.712   3.381   3.874
   26    HB   THR   5           HB       THR   5 -18.884   5.736   4.446
   27    HG1  THR   5           HG1      THR   5 -19.033   5.366   7.113
   28   1HG2  THR   5          1HG2      THR   5 -20.668   6.368   6.011
   29   2HG2  THR   5          2HG2      THR   5 -20.845   4.708   6.567
   30   3HG2  THR   5          3HG2      THR   5 -21.353   5.149   4.947
   31    H    PHE   6           H        PHE   6 -17.044   4.061   5.924
   32    HA   PHE   6           HA       PHE   6 -14.782   4.510   4.976
   33   1HB   PHE   6          2HB       PHE   6 -15.088   1.809   6.346
   34   2HB   PHE   6          1HB       PHE   6 -13.682   2.858   6.410
   35    HD1  PHE   6           HD1      PHE   6 -13.979   5.224   7.339
   36    HD2  PHE   6           HD2      PHE   6 -16.922   2.208   7.815
   37    HE1  PHE   6           HE1      PHE   6 -15.002   6.505   9.165
   38    HE2  PHE   6           HE2      PHE   6 -17.950   3.458   9.640
   39    HZ   PHE   6           HZ       PHE   6 -16.996   5.630  10.331
   40    H    THR   7           H        THR   7 -13.257   4.249   3.545
   41    HA   THR   7           HA       THR   7 -13.159   1.857   1.732
   42    HB   THR   7           HB       THR   7 -12.776   3.412  -0.260
   43    HG1  THR   7           HG1      THR   7 -13.774   5.579   1.084
   44   1HG2  THR   7          1HG2      THR   7 -15.002   4.407  -0.388
   45   2HG2  THR   7          2HG2      THR   7 -15.241   4.253   1.352
   46   3HG2  THR   7          3HG2      THR   7 -15.176   2.822   0.343
   47    H    SER   8           H        SER   8 -11.287   4.791   1.630
   48    HA   SER   8           HA       SER   8  -8.729   3.785   1.064
   49   1HB   SER   8          2HB       SER   8  -7.772   5.793   2.331
   50   2HB   SER   8          1HB       SER   8  -9.096   6.237   1.261
   51    HG   SER   8           HG       SER   8 -10.285   5.594   3.618
   52    H    ASP   9           H        ASP   9 -10.278   3.950   3.953
   53    HA   ASP   9           HA       ASP   9  -8.785   3.416   6.111
   54   1HB   ASP   9          2HB       ASP   9 -11.462   2.121   5.301
   55   2HB   ASP   9          1HB       ASP   9 -10.930   2.392   6.945
   56    H    VAL  10           H        VAL  10  -9.991   0.960   3.951
   57    HA   VAL  10           HA       VAL  10  -8.878  -1.414   4.983
   58    HB   VAL  10           HB       VAL  10  -9.211  -0.561   2.052
   59   1HG1  VAL  10          1HG1      VAL  10  -7.776  -2.643   2.304
   60   2HG1  VAL  10          2HG1      VAL  10  -9.334  -3.028   1.598
   61   3HG1  VAL  10          3HG1      VAL  10  -9.031  -3.368   3.291
   62   1HG2  VAL  10          1HG2      VAL  10 -11.309  -0.463   3.399
   63   2HG2  VAL  10          2HG2      VAL  10 -11.053  -2.115   3.933
   64   3HG2  VAL  10          3HG2      VAL  10 -11.372  -1.776   2.242
   65    H    SER  11           H        SER  11  -7.427   0.758   2.706
   66    HA   SER  11           HA       SER  11  -4.789  -0.508   2.619
   67   1HB   SER  11          2HB       SER  11  -5.488   1.030   0.785
   68   2HB   SER  11          1HB       SER  11  -5.550   2.383   1.920
   69    HG   SER  11           HG       SER  11  -3.155   1.141   2.277
   70    H    SER  12           H        SER  12  -6.081   2.279   4.256
   71    HA   SER  12           HA       SER  12  -3.879   3.260   5.752
   72   1HB   SER  12          2HB       SER  12  -6.230   4.226   5.938
   73   2HB   SER  12          1HB       SER  12  -6.688   2.849   6.950
   74    HG   SER  12           HG       SER  12  -5.690   3.889   8.539
   75    H    TYR  13           H        TYR  13  -6.029   0.674   6.672
   76    HA   TYR  13           HA       TYR  13  -4.524  -0.257   8.962
   77   1HB   TYR  13          2HB       TYR  13  -6.830  -0.986   8.889
   78   2HB   TYR  13          1HB       TYR  13  -6.732  -1.415   7.191
   79    HD1  TYR  13           HD1      TYR  13  -4.927  -2.354  10.371
   80    HD2  TYR  13           HD2      TYR  13  -6.732  -3.689   6.762
   81    HE1  TYR  13           HE1      TYR  13  -4.390  -4.704  10.947
   82    HE2  TYR  13           HE2      TYR  13  -6.175  -6.027   7.377
   83    HH   TYR  13           HH       TYR  13  -4.046  -6.738   9.854
   84    H    LEU  14           H        LEU  14  -4.819  -1.705   5.735
   85    HA   LEU  14           HA       LEU  14  -3.029  -3.762   5.707
   86   1HB   LEU  14          2HB       LEU  14  -4.360  -2.644   3.765
   87   2HB   LEU  14          1HB       LEU  14  -2.993  -1.567   3.571
   88    HG   LEU  14           HG       LEU  14  -2.665  -4.591   3.423
   89   1HD1  LEU  14          1HD1      LEU  14  -3.078  -2.540   1.185
   90   2HD1  LEU  14          2HD1      LEU  14  -4.257  -3.753   1.662
   91   3HD1  LEU  14          3HD1      LEU  14  -2.727  -4.242   0.959
   92   1HD2  LEU  14          1HD2      LEU  14  -0.998  -2.239   2.369
   93   2HD2  LEU  14          2HD2      LEU  14  -0.611  -3.930   2.166
   94   3HD2  LEU  14          3HD2      LEU  14  -0.552  -3.208   3.746
   95    H    GLU  15           H        GLU  15  -1.923  -0.475   5.052
   96    HA   GLU  15           HA       GLU  15   0.884  -1.169   5.508
   97   1HB   GLU  15          2HB       GLU  15  -0.692   1.335   4.836
   98   2HB   GLU  15          1HB       GLU  15   0.951   1.541   5.416
   99   1HG   GLU  15          2HG       GLU  15   0.257  -0.397   3.123
  100   2HG   GLU  15          1HG       GLU  15   0.849   1.231   2.860
  101    H    GLY  16           H        GLY  16  -1.590   0.481   7.261
  102   1HA   GLY  16          2HA       GLY  16  -0.567   1.548   9.573
  103   2HA   GLY  16          1HA       GLY  16  -2.006   0.523   9.641
  104    H    GLN  17           H        GLN  17  -0.993  -1.752   8.885
  105    HA   GLN  17           HA       GLN  17   0.746  -2.678  11.150
  106   1HB   GLN  17          2HB       GLN  17  -1.542  -3.589  11.088
  107   2HB   GLN  17          1HB       GLN  17  -1.367  -4.051   9.417
  108   1HG   GLN  17          2HG       GLN  17   0.231  -5.821   9.958
  109   2HG   GLN  17          1HG       GLN  17   0.429  -5.250  11.603
  110   1HE2  GLN  17          1HE2      GLN  17  -0.530  -6.815  12.922
  111   2HE2  GLN  17          2HE2      GLN  17  -2.053  -7.504  12.559
  112    H    ALA  18           H        ALA  18   0.485  -3.413   7.625
  113    HA   ALA  18           HA       ALA  18   2.891  -4.984   7.648
  114   1HB   ALA  18          1HB       ALA  18   2.516  -4.964   5.162
  115   2HB   ALA  18          2HB       ALA  18   1.315  -3.711   5.365
  116   3HB   ALA  18          3HB       ALA  18   1.022  -5.313   6.027
  117    H    ALA  19           H        ALA  19   2.310  -1.727   6.475
  118    HA   ALA  19           HA       ALA  19   4.370  -0.750   5.161
  119   1HB   ALA  19          1HB       ALA  19   2.706   0.663   6.257
  120   2HB   ALA  19          2HB       ALA  19   4.290   1.328   6.542
  121   3HB   ALA  19          3HB       ALA  19   3.454   0.454   7.832
  122    H    LYS  20           H        LYS  20   4.750  -1.418   8.437
  123    HA   LYS  20           HA       LYS  20   7.103  -0.749   9.492
  124   1HB   LYS  20          2HB       LYS  20   5.661  -3.392   9.399
  125   2HB   LYS  20          1HB       LYS  20   7.233  -3.398  10.164
  126   1HG   LYS  20          2HG       LYS  20   5.440  -2.962  11.804
  127   2HG   LYS  20          1HG       LYS  20   6.546  -1.601  11.706
  128   1HD   LYS  20          2HD       LYS  20   4.900  -0.467  10.095
  129   2HD   LYS  20          1HD       LYS  20   3.809  -1.825  10.313
  130   1HE   LYS  20          2HE       LYS  20   3.725  -1.267  12.748
  131   2HE   LYS  20          1HE       LYS  20   4.781   0.112  12.439
  132   1HZ   LYS  20          1HZ       LYS  20   2.596   0.044  10.534
  133   2HZ   LYS  20          2HZ       LYS  20   2.963   1.282  11.640
  134   3HZ   LYS  20          3HZ       LYS  20   1.990  -0.022  12.045
  135    H    GLU  21           H        GLU  21   7.165  -3.264   7.055
  136    HA   GLU  21           HA       GLU  21  10.161  -2.922   6.936
  137   1HB   GLU  21          2HB       GLU  21  10.341  -5.125   6.481
  138   2HB   GLU  21          1HB       GLU  21   8.709  -5.263   7.080
  139   1HG   GLU  21          2HG       GLU  21   8.892  -6.494   4.941
  140   2HG   GLU  21          1HG       GLU  21   7.901  -5.087   4.657
  141    H    PHE  22           H        PHE  22   7.275  -2.490   4.912
  142    HA   PHE  22           HA       PHE  22   8.596  -2.165   2.349
  143   1HB   PHE  22          2HB       PHE  22   6.011  -2.300   2.874
  144   2HB   PHE  22          1HB       PHE  22   6.104  -0.609   3.326
  145    HD1  PHE  22           HD1      PHE  22   5.463   0.832   1.616
  146    HD2  PHE  22           HD2      PHE  22   7.478  -2.757   0.580
  147    HE1  PHE  22           HE1      PHE  22   5.345   1.456  -0.758
  148    HE2  PHE  22           HE2      PHE  22   7.368  -2.153  -1.795
  149    HZ   PHE  22           HZ       PHE  22   6.296  -0.035  -2.475
  150    H    ILE  23           H        ILE  23   7.870  -0.147   4.997
  151    HA   ILE  23           HA       ILE  23   8.772   2.345   4.234
  152    HB   ILE  23           HB       ILE  23   8.952   0.891   6.933
  153   1HG1  ILE  23          2HG1      ILE  23   7.085   3.134   6.037
  154   2HG1  ILE  23          1HG1      ILE  23   6.669   1.453   5.848
  155   1HG2  ILE  23          1HG2      ILE  23  10.632   2.770   6.909
  156   2HG2  ILE  23          2HG2      ILE  23   9.318   3.134   7.997
  157   3HG2  ILE  23          3HG2      ILE  23   9.376   3.887   6.414
  158   1HD1  ILE  23          1HD1      ILE  23   6.932   1.127   8.334
  159   2HD1  ILE  23          2HD1      ILE  23   5.710   2.338   7.971
  160   3HD1  ILE  23          3HD1      ILE  23   7.299   2.831   8.518
  161    H    ALA  24           H        ALA  24  10.538  -0.360   5.351
  162    HA   ALA  24           HA       ALA  24  13.210   0.873   5.087
  163   1HB   ALA  24          1HB       ALA  24  12.646  -0.711   6.953
  164   2HB   ALA  24          2HB       ALA  24  13.946  -1.381   5.981
  165   3HB   ALA  24          3HB       ALA  24  12.300  -1.981   5.798
  166    H    TRP  25           H        TRP  25  11.194  -1.387   3.310
  167    HA   TRP  25           HA       TRP  25  13.043  -2.342   1.377
  168   1HB   TRP  25          2HB       TRP  25  10.410  -2.765   1.895
  169   2HB   TRP  25          1HB       TRP  25  10.167  -1.685   0.550
  170    HD1  TRP  25           HD1      TRP  25  10.394  -5.274   1.220
  171    HE1  TRP  25           HE1      TRP  25  11.142  -6.494  -0.829
  172    HE3  TRP  25           HE3      TRP  25  11.911  -1.455  -1.447
  173    HZ2  TRP  25           HZ2      TRP  25  12.327  -5.952  -3.434
  174    HZ3  TRP  25           HZ3      TRP  25  12.876  -1.703  -3.733
  175    HH2  TRP  25           HH2      TRP  25  13.078  -3.966  -4.731
  176    H    LEU  26           H        LEU  26  11.075   0.523   1.332
  177    HA   LEU  26           HA       LEU  26  12.428   1.558  -1.063
  178   1HB   LEU  26          2HB       LEU  26  10.244   2.483   0.812
  179   2HB   LEU  26          1HB       LEU  26  10.924   3.655  -0.288
  180    HG   LEU  26           HG       LEU  26  10.318   2.186  -2.235
  181   1HD1  LEU  26          1HD1      LEU  26   8.917   0.179  -1.835
  182   2HD1  LEU  26          2HD1      LEU  26   9.055   0.384  -0.107
  183   3HD1  LEU  26          3HD1      LEU  26  10.449  -0.053  -1.066
  184   1HD2  LEU  26          1HD2      LEU  26   8.050   2.550  -0.248
  185   2HD2  LEU  26          2HD2      LEU  26   7.877   2.370  -1.979
  186   3HD2  LEU  26          3HD2      LEU  26   8.644   3.804  -1.322
  187    H    VAL  27           H        VAL  27  13.875   1.149   1.578
  188    HA   VAL  27           HA       VAL  27  15.402   3.737   1.700
  189    HB   VAL  27           HB       VAL  27  13.900   2.598   3.807
  190   1HG1  VAL  27          1HG1      VAL  27  15.615   0.706   4.144
  191   2HG1  VAL  27          2HG1      VAL  27  15.547   1.807   5.500
  192   3HG1  VAL  27          3HG1      VAL  27  16.851   1.934   4.335
  193   1HG2  VAL  27          1HG2      VAL  27  14.788   4.899   3.675
  194   2HG2  VAL  27          2HG2      VAL  27  16.412   4.317   3.948
  195   3HG2  VAL  27          3HG2      VAL  27  15.210   4.201   5.226
  196    H    LYS  28           H        LYS  28  15.555   0.264   2.133
  197    HA   LYS  28           HA       LYS  28  18.028  -0.636   2.374
  198   1HB   LYS  28          2HB       LYS  28  16.071  -1.349   0.116
  199   2HB   LYS  28          1HB       LYS  28  17.539  -2.283   0.356
  200   1HG   LYS  28          2HG       LYS  28  16.889  -2.883   2.644
  201   2HG   LYS  28          1HG       LYS  28  15.572  -1.741   2.645
  202   1HD   LYS  28          2HD       LYS  28  14.585  -3.246   0.643
  203   2HD   LYS  28          1HD       LYS  28  15.722  -4.439   1.197
  204   1HE   LYS  28          2HE       LYS  28  14.692  -4.838   3.251
  205   2HE   LYS  28          1HE       LYS  28  14.019  -3.222   3.398
  206   1HZ   LYS  28          1HZ       LYS  28  12.062  -3.992   2.542
  207   2HZ   LYS  28          2HZ       LYS  28  12.592  -5.472   2.565
  208   3HZ   LYS  28          3HZ       LYS  28  12.815  -4.561   1.136
  209    H    GLY  29           H        GLY  29  17.386   1.168  -0.533
  210   1HA   GLY  29          2HA       GLY  29  20.342   1.375  -1.094
  211   2HA   GLY  29          1HA       GLY  29  19.227   1.097  -2.409
  212    H    ARG  30           HN       ARG  30  18.079   3.371  -0.114
  213    HA   ARG  30           HA       ARG  30  19.313   5.739  -1.310
  214   1HB   ARG  30          2HB       ARG  30  16.562   4.996  -1.362
  215   2HB   ARG  30          1HB       ARG  30  17.006   6.697  -1.618
  216   1HG   ARG  30          2HG       ARG  30  18.090   5.422  -3.761
  217   2HG   ARG  30          1HG       ARG  30  16.788   4.295  -3.409
  218   1HD   ARG  30          2HD       ARG  30  16.615   7.307  -3.911
  219   2HD   ARG  30          1HD       ARG  30  15.798   6.075  -4.845
  220    HE   ARG  30           HE       ARG  30  14.236   7.295  -3.089
  221   1HH1  ARG  30          1HH1      ARG  30  13.520   4.681  -3.215
  222   2HH1  ARG  30          2HH1      ARG  30  13.452   4.245  -1.517
  223   1HH2  ARG  30          1HH2      ARG  30  15.435   6.722  -0.499
  224   2HH2  ARG  30          2HH2      ARG  30  14.452   5.402  -0.062
  Start of MODEL   19
    1   1H    HIS   1          1H        HIS   1 -17.461   3.817  10.777
    2   2H    HIS   1          2H        HIS   1 -17.495   3.849  12.477
    3   3H    HIS   1          3H        HIS   1 -16.257   4.603  11.623
    4    HA   HIS   1           HA       HIS   1 -18.669   5.787  12.427
    5   1HB   HIS   1          2HB       HIS   1 -16.403   6.869  10.610
    6   2HB   HIS   1          1HB       HIS   1 -17.428   7.802  11.675
    7    HD1  HIS   1           HD1      HIS   1 -14.518   5.569  11.788
    8    HD2  HIS   1           HD2      HIS   1 -16.941   7.502  14.461
    9    HE1  HIS   1           HE1      HIS   1 -13.413   5.412  14.003
   10    H    ALA   2           H        ALA   2 -18.921   7.571   9.925
   11    HA   ALA   2           HA       ALA   2 -20.785   5.754   8.428
   12   1HB   ALA   2          1HB       ALA   2 -21.643   7.937   9.399
   13   2HB   ALA   2          2HB       ALA   2 -21.720   7.965   7.645
   14   3HB   ALA   2          3HB       ALA   2 -20.424   8.809   8.481
   15    H    GLU   3           H        GLU   3 -18.301   8.057   8.029
   16    HA   GLU   3           HA       GLU   3 -17.594   7.365   5.254
   17   1HB   GLU   3          2HB       GLU   3 -15.827   9.336   6.035
   18   2HB   GLU   3          1HB       GLU   3 -17.413   9.695   5.405
   19   1HG   GLU   3          2HG       GLU   3 -16.754  10.961   7.571
   20   2HG   GLU   3          1HG       GLU   3 -18.300  10.172   7.664
   21    H    GLY   4           H        GLY   4 -16.132   7.461   8.422
   22   1HA   GLY   4          2HA       GLY   4 -13.756   5.839   7.596
   23   2HA   GLY   4          1HA       GLY   4 -13.934   6.702   9.106
   24    H    THR   5           H        THR   5 -14.834   3.949   7.331
   25    HA   THR   5           HA       THR   5 -15.334   2.362   9.820
   26    HB   THR   5           HB       THR   5 -17.112   2.499   7.299
   27    HG1  THR   5           HG1      THR   5 -18.423   3.262   8.806
   28   1HG2  THR   5          1HG2      THR   5 -18.463   0.712   8.320
   29   2HG2  THR   5          2HG2      THR   5 -17.368   0.571   9.680
   30   3HG2  THR   5          3HG2      THR   5 -16.880   0.023   8.076
   31    H    PHE   6           H        PHE   6 -15.209  -0.025   9.275
   32    HA   PHE   6           HA       PHE   6 -12.646  -0.626   8.171
   33   1HB   PHE   6          2HB       PHE   6 -14.926  -2.170   9.372
   34   2HB   PHE   6          1HB       PHE   6 -13.683  -3.085   8.540
   35    HD1  PHE   6           HD1      PHE   6 -13.245   0.109  10.538
   36    HD2  PHE   6           HD2      PHE   6 -12.502  -4.082  10.279
   37    HE1  PHE   6           HE1      PHE   6 -11.802   0.254  12.469
   38    HE2  PHE   6           HE2      PHE   6 -11.034  -3.928  12.240
   39    HZ   PHE   6           HZ       PHE   6 -10.679  -1.759  13.345
   40    H    THR   7           H        THR   7 -13.488   0.441   6.227
   41    HA   THR   7           HA       THR   7 -13.415  -1.264   3.835
   42    HB   THR   7           HB       THR   7 -15.037   0.547   2.727
   43    HG1  THR   7           HG1      THR   7 -15.138   2.194   4.296
   44   1HG2  THR   7          1HG2      THR   7 -17.104  -0.280   3.755
   45   2HG2  THR   7          2HG2      THR   7 -16.238  -0.822   5.178
   46   3HG2  THR   7          3HG2      THR   7 -16.016  -1.662   3.654
   47    H    SER   8           H        SER   8 -13.719   1.938   4.989
   48    HA   SER   8           HA       SER   8 -11.699   3.244   3.397
   49   1HB   SER   8          2HB       SER   8 -12.895   4.277   6.023
   50   2HB   SER   8          1HB       SER   8 -12.430   5.221   4.602
   51    HG   SER   8           HG       SER   8 -14.695   4.786   4.764
   52    H    ASP   9           H        ASP   9 -12.018   2.601   6.807
   53    HA   ASP   9           HA       ASP   9  -9.474   3.227   7.767
   54   1HB   ASP   9          2HB       ASP   9 -11.402   0.984   8.723
   55   2HB   ASP   9          1HB       ASP   9 -10.311   1.902   9.721
   56    H    VAL  10           H        VAL  10 -10.733   0.155   6.723
   57    HA   VAL  10           HA       VAL  10  -8.415  -1.485   6.735
   58    HB   VAL  10           HB       VAL  10 -10.877  -1.505   4.897
   59   1HG1  VAL  10          1HG1      VAL  10  -8.742  -3.686   5.234
   60   2HG1  VAL  10          2HG1      VAL  10  -8.989  -2.745   3.774
   61   3HG1  VAL  10          3HG1      VAL  10 -10.233  -3.844   4.322
   62   1HG2  VAL  10          1HG2      VAL  10 -10.004  -3.284   7.242
   63   2HG2  VAL  10          2HG2      VAL  10 -11.526  -3.401   6.378
   64   3HG2  VAL  10          3HG2      VAL  10 -11.182  -2.001   7.377
   65    H    SER  11           H        SER  11  -9.657   0.141   3.761
   66    HA   SER  11           HA       SER  11  -7.459  -0.286   2.099
   67   1HB   SER  11          2HB       SER  11  -9.301   2.130   2.336
   68   2HB   SER  11          1HB       SER  11  -8.127   1.956   1.009
   69    HG   SER  11           HG       SER  11  -9.486   0.480   0.181
   70    H    SER  12           H        SER  12  -7.846   2.457   4.319
   71    HA   SER  12           HA       SER  12  -5.270   3.652   3.778
   72   1HB   SER  12          2HB       SER  12  -7.018   4.823   5.199
   73   2HB   SER  12          1HB       SER  12  -6.732   3.648   6.485
   74    HG   SER  12           HG       SER  12  -4.353   4.668   5.445
   75    H    TYR  13           H        TYR  13  -6.180   1.465   6.390
   76    HA   TYR  13           HA       TYR  13  -3.748   0.995   7.648
   77   1HB   TYR  13          2HB       TYR  13  -5.660  -0.036   8.620
   78   2HB   TYR  13          1HB       TYR  13  -6.238  -0.648   7.095
   79    HD1  TYR  13           HD1      TYR  13  -3.217  -1.059   9.303
   80    HD2  TYR  13           HD2      TYR  13  -6.069  -2.919   6.757
   81    HE1  TYR  13           HE1      TYR  13  -2.210  -3.284   9.757
   82    HE2  TYR  13           HE2      TYR  13  -5.034  -5.120   7.242
   83    HH   TYR  13           HH       TYR  13  -2.067  -5.358   8.817
   84    H    LEU  14           H        LEU  14  -4.969  -0.896   4.991
   85    HA   LEU  14           HA       LEU  14  -3.023  -2.717   4.372
   86   1HB   LEU  14          2HB       LEU  14  -5.130  -2.259   3.048
   87   2HB   LEU  14          1HB       LEU  14  -4.372  -0.837   2.371
   88    HG   LEU  14           HG       LEU  14  -2.583  -2.282   1.344
   89   1HD1  LEU  14          1HD1      LEU  14  -4.393  -4.540   2.330
   90   2HD1  LEU  14          2HD1      LEU  14  -2.773  -4.220   2.928
   91   3HD1  LEU  14          3HD1      LEU  14  -3.006  -4.733   1.274
   92   1HD2  LEU  14          1HD2      LEU  14  -4.090  -3.234  -0.387
   93   2HD2  LEU  14          2HD2      LEU  14  -4.633  -1.633   0.086
   94   3HD2  LEU  14          3HD2      LEU  14  -5.463  -3.058   0.694
   95    H    GLU  15           H        GLU  15  -2.850   0.616   3.487
   96    HA   GLU  15           HA       GLU  15  -0.066   0.476   2.481
   97   1HB   GLU  15          2HB       GLU  15  -1.723   1.974   1.368
   98   2HB   GLU  15          1HB       GLU  15  -2.028   2.803   2.877
   99   1HG   GLU  15          2HG       GLU  15   0.454   3.494   2.925
  100   2HG   GLU  15          1HG       GLU  15   0.630   2.771   1.337
  101    H    GLY  16           H        GLY  16  -1.734   2.306   4.945
  102   1HA   GLY  16          2HA       GLY  16   0.081   3.576   6.515
  103   2HA   GLY  16          1HA       GLY  16  -1.224   2.673   7.278
  104    H    GLN  17           H        GLN  17  -0.370   0.184   6.521
  105    HA   GLN  17           HA       GLN  17   1.785  -0.335   8.504
  106   1HB   GLN  17          2HB       GLN  17  -0.509  -1.595   8.217
  107   2HB   GLN  17          1HB       GLN  17   0.185  -2.335   6.808
  108   1HG   GLN  17          2HG       GLN  17   2.234  -2.872   8.576
  109   2HG   GLN  17          1HG       GLN  17   0.927  -2.722   9.723
  110   1HE2  GLN  17          1HE2      GLN  17   2.352  -4.732   7.468
  111   2HE2  GLN  17          2HE2      GLN  17   1.226  -6.021   7.582
  112    H    ALA  18           H        ALA  18   1.468  -2.176   5.550
  113    HA   ALA  18           HA       ALA  18   3.871  -2.763   4.690
  114   1HB   ALA  18          1HB       ALA  18   1.815  -3.133   3.406
  115   2HB   ALA  18          2HB       ALA  18   3.021  -2.444   2.327
  116   3HB   ALA  18          3HB       ALA  18   1.726  -1.439   2.973
  117    H    ALA  19           H        ALA  19   2.751   0.465   4.108
  118    HA   ALA  19           HA       ALA  19   4.640   1.743   2.628
  119   1HB   ALA  19          1HB       ALA  19   3.214   2.723   5.145
  120   2HB   ALA  19          2HB       ALA  19   2.582   2.762   3.516
  121   3HB   ALA  19          3HB       ALA  19   3.933   3.791   3.945
  122    H    LYS  20           H        LYS  20   5.124   0.829   5.916
  123    HA   LYS  20           HA       LYS  20   7.864   2.071   5.907
  124   1HB   LYS  20          2HB       LYS  20   7.315   2.743   7.957
  125   2HB   LYS  20          1HB       LYS  20   5.728   2.100   7.721
  126   1HG   LYS  20          2HG       LYS  20   7.140  -0.181   8.693
  127   2HG   LYS  20          1HG       LYS  20   7.995   1.134   9.460
  128   1HD   LYS  20          2HD       LYS  20   6.119   0.550  10.906
  129   2HD   LYS  20          1HD       LYS  20   5.689   2.073  10.141
  130   1HE   LYS  20          2HE       LYS  20   4.757   0.293   8.261
  131   2HE   LYS  20          1HE       LYS  20   4.614  -0.701   9.697
  132   1HZ   LYS  20          1HZ       LYS  20   3.657   1.890  10.337
  133   2HZ   LYS  20          2HZ       LYS  20   2.771   0.439  10.227
  134   3HZ   LYS  20          3HZ       LYS  20   2.959   1.421   8.877
  135    H    GLU  21           H        GLU  21   6.529  -1.159   6.961
  136    HA   GLU  21           HA       GLU  21   9.013  -2.361   7.454
  137   1HB   GLU  21          2HB       GLU  21   7.790  -4.527   6.623
  138   2HB   GLU  21          1HB       GLU  21   7.138  -3.667   7.991
  139   1HG   GLU  21          2HG       GLU  21   5.996  -2.749   5.386
  140   2HG   GLU  21          1HG       GLU  21   5.620  -4.404   5.801
  141    H    PHE  22           H        PHE  22   7.598  -1.727   4.321
  142    HA   PHE  22           HA       PHE  22   9.710  -3.203   2.887
  143   1HB   PHE  22          2HB       PHE  22   7.204  -2.837   2.163
  144   2HB   PHE  22          1HB       PHE  22   7.665  -1.198   1.765
  145    HD1  PHE  22           HD1      PHE  22   6.851  -1.744  -0.508
  146    HD2  PHE  22           HD2      PHE  22  10.247  -3.759   1.090
  147    HE1  PHE  22           HE1      PHE  22   7.503  -2.470  -2.760
  148    HE2  PHE  22           HE2      PHE  22  10.888  -4.468  -1.133
  149    HZ   PHE  22           HZ       PHE  22   9.531  -3.839  -3.071
  150    H    ILE  23           H        ILE  23   8.919   0.139   3.715
  151    HA   ILE  23           HA       ILE  23  11.011   1.354   2.196
  152    HB   ILE  23           HB       ILE  23   9.071   2.364   3.949
  153   1HG1  ILE  23          2HG1      ILE  23  10.279   4.603   3.739
  154   2HG1  ILE  23          1HG1      ILE  23  11.613   3.744   3.000
  155   1HG2  ILE  23          1HG2      ILE  23  10.178   3.565   5.809
  156   2HG2  ILE  23          2HG2      ILE  23  11.730   2.869   5.398
  157   3HG2  ILE  23          3HG2      ILE  23  10.453   1.859   6.041
  158   1HD1  ILE  23          1HD1      ILE  23  10.028   2.906   1.189
  159   2HD1  ILE  23          2HD1      ILE  23  10.040   4.656   1.261
  160   3HD1  ILE  23          3HD1      ILE  23   8.720   3.759   1.984
  161    H    ALA  24           H        ALA  24  10.885  -0.055   5.332
  162    HA   ALA  24           HA       ALA  24  13.697   0.140   6.006
  163   1HB   ALA  24          1HB       ALA  24  12.928  -1.287   7.955
  164   2HB   ALA  24          2HB       ALA  24  11.397  -1.534   7.117
  165   3HB   ALA  24          3HB       ALA  24  11.848   0.068   7.663
  166    H    TRP  25           H        TRP  25  12.914  -1.183   3.515
  167    HA   TRP  25           HA       TRP  25  14.556  -3.694   3.553
  168   1HB   TRP  25          2HB       TRP  25  11.931  -3.969   3.122
  169   2HB   TRP  25          1HB       TRP  25  12.214  -3.123   1.619
  170    HD1  TRP  25           HD1      TRP  25  12.764  -6.354   3.298
  171    HE1  TRP  25           HE1      TRP  25  13.702  -7.988   1.533
  172    HE3  TRP  25           HE3      TRP  25  13.529  -3.206  -0.383
  173    HZ2  TRP  25           HZ2      TRP  25  14.654  -7.946  -1.169
  174    HZ3  TRP  25           HZ3      TRP  25  14.439  -3.908  -2.601
  175    HH2  TRP  25           HH2      TRP  25  15.001  -6.288  -2.989
  176    H    LEU  26           H        LEU  26  13.018  -1.401   1.551
  177    HA   LEU  26           HA       LEU  26  14.880  -1.115  -0.582
  178   1HB   LEU  26          2HB       LEU  26  12.735   0.783   0.500
  179   2HB   LEU  26          1HB       LEU  26  13.363   0.808  -1.138
  180    HG   LEU  26           HG       LEU  26  12.046  -1.722   0.029
  181   1HD1  LEU  26          1HD1      LEU  26  10.043  -1.059  -1.098
  182   2HD1  LEU  26          2HD1      LEU  26  10.748   0.486  -1.555
  183   3HD1  LEU  26          3HD1      LEU  26  10.454   0.103   0.141
  184   1HD2  LEU  26          1HD2      LEU  26  13.479  -1.941  -2.027
  185   2HD2  LEU  26          2HD2      LEU  26  12.464  -0.755  -2.819
  186   3HD2  LEU  26          3HD2      LEU  26  11.792  -2.296  -2.301
  187    H    VAL  27           H        VAL  27  14.710   0.491   2.422
  188    HA   VAL  27           HA       VAL  27  17.043   2.268   1.821
  189    HB   VAL  27           HB       VAL  27  15.019   2.421   4.108
  190   1HG1  VAL  27          1HG1      VAL  27  17.117   4.427   3.142
  191   2HG1  VAL  27          2HG1      VAL  27  17.229   3.503   4.629
  192   3HG1  VAL  27          3HG1      VAL  27  15.969   4.701   4.434
  193   1HG2  VAL  27          1HG2      VAL  27  13.967   2.920   1.900
  194   2HG2  VAL  27          2HG2      VAL  27  15.230   4.088   1.555
  195   3HG2  VAL  27          3HG2      VAL  27  14.102   4.374   2.869
  196    H    LYS  28           H        LYS  28  15.873  -0.082   4.031
  197    HA   LYS  28           HA       LYS  28  18.563  -0.283   5.390
  198   1HB   LYS  28          2HB       LYS  28  16.685   0.565   6.729
  199   2HB   LYS  28          1HB       LYS  28  15.745  -0.862   6.409
  200   1HG   LYS  28          2HG       LYS  28  18.313  -1.671   7.590
  201   2HG   LYS  28          1HG       LYS  28  17.664  -0.349   8.519
  202   1HD   LYS  28          2HD       LYS  28  16.706  -2.367   9.496
  203   2HD   LYS  28          1HD       LYS  28  15.415  -1.558   8.626
  204   1HE   LYS  28          2HE       LYS  28  16.098  -3.086   6.614
  205   2HE   LYS  28          1HE       LYS  28  16.993  -4.017   7.795
  206   1HZ   LYS  28          1HZ       LYS  28  14.437  -3.451   8.863
  207   2HZ   LYS  28          2HZ       LYS  28  15.001  -4.978   8.352
  208   3HZ   LYS  28          3HZ       LYS  28  14.230  -3.916   7.259
  209    H    GLY  29           H        GLY  29  17.497  -1.854   2.982
  210   1HA   GLY  29          2HA       GLY  29  18.260  -4.623   3.928
  211   2HA   GLY  29          1HA       GLY  29  17.035  -4.363   2.690
  212    H    ARG  30           HN       ARG  30  19.016  -2.140   2.018
  213    HA   ARG  30           HA       ARG  30  20.863  -3.693   0.249
  214   1HB   ARG  30          2HB       ARG  30  20.224  -2.355  -1.541
  215   2HB   ARG  30          1HB       ARG  30  18.726  -2.271  -0.645
  216   1HG   ARG  30          2HG       ARG  30  20.949  -0.184  -0.805
  217   2HG   ARG  30          1HG       ARG  30  19.306   0.013  -1.366
  218   1HD   ARG  30          2HD       ARG  30  18.476   0.460   0.752
  219   2HD   ARG  30          1HD       ARG  30  19.639  -0.593   1.551
  220    HE   ARG  30           HE       ARG  30  20.362   2.141   0.528
  221   1HH1  ARG  30          1HH2      ARG  30  22.479   0.353   0.553
  222   2HH1  ARG  30          2HH2      ARG  30  23.226   0.557   2.066
  223   1HH2  ARG  30          1HH1      ARG  30  20.227   1.808   3.257
  224   2HH2  ARG  30          2HH1      ARG  30  21.857   1.403   3.718
  Start of MODEL   20
    1   1H    HIS   1          1H        HIS   1 -19.442  -7.369   9.174
    2   2H    HIS   1          2H        HIS   1 -18.556  -6.089   8.459
    3   3H    HIS   1          3H        HIS   1 -17.848  -6.956   9.671
    4    HA   HIS   1           HA       HIS   1 -16.900  -8.187   8.197
    5   1HB   HIS   1          2HB       HIS   1 -19.073  -9.695   8.440
    6   2HB   HIS   1          1HB       HIS   1 -19.687  -8.864   7.005
    7    HD1  HIS   1           HD1      HIS   1 -19.466 -11.007   5.597
    8    HD2  HIS   1           HD2      HIS   1 -15.864  -9.864   7.167
    9    HE1  HIS   1           HE1      HIS   1 -17.715 -12.332   4.444
   10    H    ALA   2           H        ALA   2 -16.274  -8.316   5.884
   11    HA   ALA   2           HA       ALA   2 -15.459  -6.931   4.110
   12   1HB   ALA   2          1HB       ALA   2 -18.522  -6.920   3.782
   13   2HB   ALA   2          2HB       ALA   2 -17.469  -8.221   3.245
   14   3HB   ALA   2          3HB       ALA   2 -17.382  -6.638   2.482
   15    H    GLU   3           H        GLU   3 -15.841  -5.788   6.508
   16    HA   GLU   3           HA       GLU   3 -16.657  -3.747   7.664
   17   1HB   GLU   3          2HB       GLU   3 -13.940  -4.022   6.390
   18   2HB   GLU   3          1HB       GLU   3 -14.270  -2.655   7.445
   19   1HG   GLU   3          2HG       GLU   3 -13.450  -5.081   8.505
   20   2HG   GLU   3          1HG       GLU   3 -14.567  -4.078   9.389
   21    H    GLY   4           H        GLY   4 -18.142  -3.663   6.131
   22   1HA   GLY   4          2HA       GLY   4 -19.429  -2.525   4.330
   23   2HA   GLY   4          1HA       GLY   4 -19.518  -1.436   5.697
   24    H    THR   5           H        THR   5 -17.028  -2.117   3.504
   25    HA   THR   5           HA       THR   5 -16.306  -0.816   1.511
   26    HB   THR   5           HB       THR   5 -17.337   1.722   2.933
   27    HG1  THR   5           HG1      THR   5 -19.060   0.708   2.291
   28   1HG2  THR   5          1HG2      THR   5 -16.789   1.054  -0.010
   29   2HG2  THR   5          2HG2      THR   5 -15.652   2.004   0.943
   30   3HG2  THR   5          3HG2      THR   5 -17.275   2.604   0.648
   31    H    PHE   6           H        PHE   6 -14.703  -1.712   3.441
   32    HA   PHE   6           HA       PHE   6 -12.970   0.050   4.862
   33   1HB   PHE   6          2HB       PHE   6 -11.360  -2.022   4.631
   34   2HB   PHE   6          1HB       PHE   6 -12.933  -2.332   5.348
   35    HD1  PHE   6           HD1      PHE   6 -14.647  -3.506   4.019
   36    HD2  PHE   6           HD2      PHE   6 -10.744  -2.887   2.477
   37    HE1  PHE   6           HE1      PHE   6 -15.081  -5.182   2.275
   38    HE2  PHE   6           HE2      PHE   6 -11.157  -4.567   0.737
   39    HZ   PHE   6           HZ       PHE   6 -13.328  -5.722   0.628
   40    H    THR   7           H        THR   7 -12.926   1.687   3.255
   41    HA   THR   7           HA       THR   7 -10.765   1.668   1.205
   42    HB   THR   7           HB       THR   7 -12.959   2.736   0.605
   43    HG1  THR   7           HG1      THR   7 -11.538   5.030   1.264
   44   1HG2  THR   7          1HG2      THR   7 -13.745   4.744   1.799
   45   2HG2  THR   7          2HG2      THR   7 -12.417   4.648   2.934
   46   3HG2  THR   7          3HG2      THR   7 -13.661   3.435   2.956
   47    H    SER   8           H        SER   8 -10.079   4.276   1.485
   48    HA   SER   8           HA       SER   8  -7.787   4.874   2.395
   49   1HB   SER   8          2HB       SER   8  -8.881   7.066   3.567
   50   2HB   SER   8          1HB       SER   8  -8.954   6.794   1.824
   51    HG   SER   8           HG       SER   8 -10.982   5.857   3.691
   52    H    ASP   9           H        ASP   9 -10.041   4.165   4.782
   53    HA   ASP   9           HA       ASP   9  -8.343   4.706   7.121
   54   1HB   ASP   9          2HB       ASP   9 -10.769   3.911   8.107
   55   2HB   ASP   9          1HB       ASP   9 -10.650   5.478   7.330
   56    H    VAL  10           H        VAL  10 -10.484   1.979   6.630
   57    HA   VAL  10           HA       VAL  10  -8.851   0.057   7.985
   58    HB   VAL  10           HB       VAL  10 -10.798  -0.377   5.682
   59   1HG1  VAL  10          1HG1      VAL  10  -9.374  -2.430   6.188
   60   2HG1  VAL  10          2HG1      VAL  10 -11.024  -2.721   6.704
   61   3HG1  VAL  10          3HG1      VAL  10  -9.805  -2.296   7.882
   62   1HG2  VAL  10          1HG2      VAL  10 -12.465  -0.863   7.491
   63   2HG2  VAL  10          2HG2      VAL  10 -11.852   0.769   7.615
   64   3HG2  VAL  10          3HG2      VAL  10 -11.258  -0.471   8.703
   65    H    SER  11           H        SER  11  -8.942   1.057   4.651
   66    HA   SER  11           HA       SER  11  -7.033  -0.757   3.482
   67   1HB   SER  11          2HB       SER  11  -7.433   2.221   2.772
   68   2HB   SER  11          1HB       SER  11  -6.507   1.085   1.806
   69    HG   SER  11           HG       SER  11  -9.126   0.199   2.411
   70    H    SER  12           H        SER  12  -6.386   2.614   4.406
   71    HA   SER  12           HA       SER  12  -3.650   2.709   4.497
   72   1HB   SER  12          2HB       SER  12  -4.905   4.668   5.210
   73   2HB   SER  12          1HB       SER  12  -5.507   3.848   6.658
   74    HG   SER  12           HG       SER  12  -2.730   3.764   6.215
   75    H    TYR  13           H        TYR  13  -5.578   1.428   7.159
   76    HA   TYR  13           HA       TYR  13  -3.332   0.666   8.793
   77   1HB   TYR  13          2HB       TYR  13  -5.607   0.684   9.760
   78   2HB   TYR  13          1HB       TYR  13  -6.166  -0.518   8.605
   79    HD1  TYR  13           HD1      TYR  13  -5.507  -2.857   8.823
   80    HD2  TYR  13           HD2      TYR  13  -4.063   0.034  11.584
   81    HE1  TYR  13           HE1      TYR  13  -4.686  -4.661  10.303
   82    HE2  TYR  13           HE2      TYR  13  -3.252  -1.797  13.045
   83    HH   TYR  13           HH       TYR  13  -4.222  -4.591  13.102
   84    H    LEU  14           H        LEU  14  -5.218  -1.482   6.693
   85    HA   LEU  14           HA       LEU  14  -3.537  -3.795   6.851
   86   1HB   LEU  14          2HB       LEU  14  -5.905  -3.547   5.881
   87   2HB   LEU  14          1HB       LEU  14  -5.209  -2.785   4.478
   88    HG   LEU  14           HG       LEU  14  -4.442  -5.622   5.331
   89   1HD1  LEU  14          1HD1      LEU  14  -6.897  -5.437   4.829
   90   2HD1  LEU  14          2HD1      LEU  14  -6.064  -6.333   3.577
   91   3HD1  LEU  14          3HD1      LEU  14  -6.525  -4.663   3.300
   92   1HD2  LEU  14          1HD2      LEU  14  -3.774  -5.777   2.935
   93   2HD2  LEU  14          2HD2      LEU  14  -2.887  -4.484   3.692
   94   3HD2  LEU  14          3HD2      LEU  14  -4.258  -4.115   2.669
   95    H    GLU  15           H        GLU  15  -3.607  -1.294   4.523
   96    HA   GLU  15           HA       GLU  15  -1.510  -1.768   2.750
   97   1HB   GLU  15          2HB       GLU  15  -3.377  -0.134   2.675
   98   2HB   GLU  15          1HB       GLU  15  -2.715   0.736   4.015
   99   1HG   GLU  15          2HG       GLU  15  -0.843   1.557   2.594
  100   2HG   GLU  15          1HG       GLU  15  -1.457   0.627   1.241
  101    H    GLY  16           H        GLY  16  -1.309   0.360   5.549
  102   1HA   GLY  16          2HA       GLY  16   1.476   0.686   5.783
  103   2HA   GLY  16          1HA       GLY  16   0.389   0.714   7.177
  104    H    GLN  17           H        GLN  17  -0.468  -1.686   7.516
  105    HA   GLN  17           HA       GLN  17   1.519  -3.152   8.789
  106   1HB   GLN  17          2HB       GLN  17  -1.210  -3.881   7.671
  107   2HB   GLN  17          1HB       GLN  17  -0.277  -5.086   8.534
  108   1HG   GLN  17          2HG       GLN  17  -0.851  -2.310   9.740
  109   2HG   GLN  17          1HG       GLN  17  -1.929  -3.660   9.983
  110   1HE2  GLN  17          1HE2      GLN  17  -1.592  -4.287  12.144
  111   2HE2  GLN  17          2HE2      GLN  17  -0.030  -4.543  12.766
  112    H    ALA  18           H        ALA  18   0.463  -3.650   5.503
  113    HA   ALA  18           HA       ALA  18   2.317  -5.861   5.061
  114   1HB   ALA  18          1HB       ALA  18   0.350  -4.391   3.255
  115   2HB   ALA  18          2HB       ALA  18   0.026  -5.885   4.118
  116   3HB   ALA  18          3HB       ALA  18   1.191  -5.870   2.798
  117    H    ALA  19           H        ALA  19   2.236  -2.497   4.412
  118    HA   ALA  19           HA       ALA  19   4.469  -2.517   2.512
  119   1HB   ALA  19          1HB       ALA  19   2.562  -0.972   2.282
  120   2HB   ALA  19          2HB       ALA  19   4.025  -0.029   2.525
  121   3HB   ALA  19          3HB       ALA  19   2.894  -0.274   3.851
  122    H    LYS  20           H        LYS  20   4.218  -1.446   5.908
  123    HA   LYS  20           HA       LYS  20   6.533  -0.110   6.416
  124   1HB   LYS  20          2HB       LYS  20   6.737  -1.535   8.590
  125   2HB   LYS  20          1HB       LYS  20   5.275  -0.615   8.319
  126   1HG   LYS  20          2HG       LYS  20   4.011  -2.560   7.760
  127   2HG   LYS  20          1HG       LYS  20   5.443  -3.500   7.486
  128   1HD   LYS  20          2HD       LYS  20   5.991  -3.335   9.968
  129   2HD   LYS  20          1HD       LYS  20   4.613  -2.281  10.219
  130   1HE   LYS  20          2HE       LYS  20   4.184  -4.652  10.930
  131   2HE   LYS  20          1HE       LYS  20   3.073  -4.131   9.665
  132   1HZ   LYS  20          1HZ       LYS  20   5.089  -6.205   9.410
  133   2HZ   LYS  20          2HZ       LYS  20   5.450  -4.946   8.498
  134   3HZ   LYS  20          3HZ       LYS  20   4.000  -5.609   8.208
  135    H    GLU  21           H        GLU  21   6.938  -3.742   6.395
  136    HA   GLU  21           HA       GLU  21   9.733  -3.688   6.646
  137   1HB   GLU  21          2HB       GLU  21   7.968  -5.580   5.053
  138   2HB   GLU  21          1HB       GLU  21   9.684  -5.853   5.232
  139   1HG   GLU  21          2HG       GLU  21   8.474  -7.161   6.962
  140   2HG   GLU  21          1HG       GLU  21   9.339  -5.878   7.784
  141    H    PHE  22           H        PHE  22   7.929  -3.513   3.630
  142    HA   PHE  22           HA       PHE  22  10.215  -3.394   1.881
  143   1HB   PHE  22          2HB       PHE  22   7.885  -4.083   1.203
  144   2HB   PHE  22          1HB       PHE  22   7.329  -2.439   1.470
  145    HD1  PHE  22           HD1      PHE  22   8.393  -0.568   0.089
  146    HD2  PHE  22           HD2      PHE  22   8.987  -4.674  -0.779
  147    HE1  PHE  22           HE1      PHE  22   9.124   0.026  -2.180
  148    HE2  PHE  22           HE2      PHE  22   9.728  -4.096  -3.057
  149    HZ   PHE  22           HZ       PHE  22   9.800  -1.739  -3.753
  150    H    ILE  23           H        ILE  23   8.113  -1.047   3.324
  151    HA   ILE  23           HA       ILE  23   9.245   1.229   2.173
  152    HB   ILE  23           HB       ILE  23   8.098   0.854   5.020
  153   1HG1  ILE  23          2HG1      ILE  23   6.886   2.128   2.516
  154   2HG1  ILE  23          1HG1      ILE  23   6.594   0.467   2.969
  155   1HG2  ILE  23          1HG2      ILE  23   9.558   2.918   4.903
  156   2HG2  ILE  23          2HG2      ILE  23   7.876   3.349   5.096
  157   3HG2  ILE  23          3HG2      ILE  23   8.631   3.473   3.520
  158   1HD1  ILE  23          1HD1      ILE  23   4.727   1.921   3.754
  159   2HD1  ILE  23          2HD1      ILE  23   5.843   2.914   4.661
  160   3HD1  ILE  23          3HD1      ILE  23   5.563   1.251   5.136
  161    H    ALA  24           H        ALA  24  10.109  -0.350   5.185
  162    HA   ALA  24           HA       ALA  24  12.472   1.080   5.821
  163   1HB   ALA  24          1HB       ALA  24  11.328  -0.602   7.315
  164   2HB   ALA  24          2HB       ALA  24  13.028  -1.013   7.157
  165   3HB   ALA  24          3HB       ALA  24  11.814  -1.900   6.251
  166    H    TRP  25           H        TRP  25  12.299  -1.982   4.026
  167    HA   TRP  25           HA       TRP  25  14.797  -2.567   3.162
  168   1HB   TRP  25          2HB       TRP  25  12.366  -2.472   1.325
  169   2HB   TRP  25          1HB       TRP  25  13.850  -3.296   0.941
  170    HD1  TRP  25           HD1      TRP  25  13.442  -4.021   4.474
  171    HE1  TRP  25           HE1      TRP  25  12.207  -6.256   4.683
  172    HE3  TRP  25           HE3      TRP  25  11.748  -4.509  -0.177
  173    HZ2  TRP  25           HZ2      TRP  25  10.682  -8.067   3.089
  174    HZ3  TRP  25           HZ3      TRP  25  10.403  -6.475  -0.888
  175    HH2  TRP  25           HH2      TRP  25   9.864  -8.258   0.748
  176    H    LEU  26           H        LEU  26  12.874  -0.310   1.398
  177    HA   LEU  26           HA       LEU  26  15.220   0.659  -0.141
  178   1HB   LEU  26          2HB       LEU  26  12.233   0.810  -0.340
  179   2HB   LEU  26          1HB       LEU  26  13.159   1.980  -1.253
  180    HG   LEU  26           HG       LEU  26  14.407   0.060  -2.354
  181   1HD1  LEU  26          1HD1      LEU  26  14.119  -1.660  -0.557
  182   2HD1  LEU  26          2HD1      LEU  26  13.481  -2.238  -2.068
  183   3HD1  LEU  26          3HD1      LEU  26  12.384  -1.656  -0.832
  184   1HD2  LEU  26          1HD2      LEU  26  12.464  -0.724  -3.673
  185   2HD2  LEU  26          2HD2      LEU  26  12.338   1.002  -3.366
  186   3HD2  LEU  26          3HD2      LEU  26  11.387  -0.132  -2.422
  187    H    VAL  27           H        VAL  27  13.177   2.016   2.357
  188    HA   VAL  27           HA       VAL  27  14.147   4.764   1.989
  189    HB   VAL  27           HB       VAL  27  12.698   3.482   4.358
  190   1HG1  VAL  27          1HG1      VAL  27  12.086   5.841   4.911
  191   2HG1  VAL  27          2HG1      VAL  27  13.060   6.418   3.575
  192   3HG1  VAL  27          3HG1      VAL  27  13.823   5.637   4.947
  193   1HG2  VAL  27          1HG2      VAL  27  11.653   5.217   2.020
  194   2HG2  VAL  27          2HG2      VAL  27  10.670   4.596   3.330
  195   3HG2  VAL  27          3HG2      VAL  27  11.360   3.498   2.156
  196    H    LYS  28           H        LYS  28  14.655   2.300   4.473
  197    HA   LYS  28           HA       LYS  28  17.255   3.660   5.041
  198   1HB   LYS  28          2HB       LYS  28  15.484   4.086   6.750
  199   2HB   LYS  28          1HB       LYS  28  15.411   2.368   7.087
  200   1HG   LYS  28          2HG       LYS  28  16.845   3.529   8.706
  201   2HG   LYS  28          1HG       LYS  28  17.771   2.355   7.806
  202   1HD   LYS  28          2HD       LYS  28  17.987   4.937   6.367
  203   2HD   LYS  28          1HD       LYS  28  18.180   5.283   8.052
  204   1HE   LYS  28          2HE       LYS  28  20.408   4.926   7.297
  205   2HE   LYS  28          1HE       LYS  28  19.992   3.414   8.093
  206   1HZ   LYS  28          1HZ       LYS  28  20.668   3.734   5.290
  207   2HZ   LYS  28          2HZ       LYS  28  19.138   3.275   5.394
  208   3HZ   LYS  28          3HZ       LYS  28  20.219   2.315   6.047
  209    H    GLY  29           H        GLY  29  16.032   0.672   4.116
  210   1HA   GLY  29          2HA       GLY  29  17.844  -1.206   5.363
  211   2HA   GLY  29          1HA       GLY  29  17.236  -1.401   3.699
  212    H    ARG  30           HN       ARG  30  18.091   1.128   3.074
  213    HA   ARG  30           HA       ARG  30  21.018   0.985   2.545
  214   1HB   ARG  30          2HB       ARG  30  19.489   0.606   0.635
  215   2HB   ARG  30          1HB       ARG  30  18.557   2.008   1.024
  216   1HG   ARG  30          2HG       ARG  30  21.427   1.895  -0.034
  217   2HG   ARG  30          1HG       ARG  30  20.050   2.377  -0.984
  218   1HD   ARG  30          2HD       ARG  30  21.289   3.895   1.349
  219   2HD   ARG  30          1HD       ARG  30  21.457   4.322  -0.322
  220    HE   ARG  30           HE       ARG  30  19.592   5.719   0.622
  221   1HH1  ARG  30          1HH2      ARG  30  18.291   4.101  -1.459
  222   2HH1  ARG  30          2HH2      ARG  30  16.841   3.701  -0.537
  223   1HH2  ARG  30          1HH1      ARG  30  18.176   4.460   2.352
  224   2HH2  ARG  30          2HH1      ARG  30  16.742   3.965   1.545