*HEADER    HORMONE/GROWTH FACTOR                   13-AUG-01   1JRJ              
*TITLE     SOLUTION STRUCTURE OF EXENDIN-4 IN 30-VOL% TRIFLUOROETHANOL           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXENDIN-4;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS PRODUCED USING FMOC                   
*SOURCE   4 SYNTHESIS. THE SEQUENCE OCCURS NATURALLY IN THE SALIVARY             
*SOURCE   5 SECRETION OF HELODERMA SUSPECTUM (GILA MONSTER).                     
*KEYWDS    TRP-CAGE, GLP-1, POLY-PROII, HYDROPHOBIC CLUSTER                      
*EXPDTA    NMR, 36 STRUCTURES                                                    
*AUTHOR    J.W.NEIDIGH, R.M.FESINMEYER, K.S.PRICKETT, N.H.ANDERSEN               
*REVDAT   1   21-NOV-01 1JRJ    0                                                
assign (residue   7 and name HB     )(residue   7 and name HN     ) 3.00 1.00 0.50 

assign (residue   6 and name HB*    )(residue   6 and name HN     ) 3.00 1.00 0.50 
assign (residue   6 and name HB*    )(residue   6 and name HD*    ) 3.50 1.50 0.50 
assign (residue   6 and name HD*    )(residue   6 and name HA     ) 4.00 2.00 1.00 
assign (residue   6 and name HD*    )(residue   6 and name HN     ) 3.50 1.50 0.50 
assign (residue   9 and name HB*    )(residue   9 and name HN     ) 2.50 0.50 0.40 
assign (residue  12 and name HB*    )(residue  12 and name HN     ) 2.60 0.60 0.40 
assign (residue  13 and name HB*    )(residue  13 and name HN     ) 2.60 0.60 0.40 

assign (residue   3 and name HA     )(residue   4 and name HN     ) 2.50 0.50 0.40 
assign (residue   7 and name HB     )(residue   8 and name HN     ) 3.50 1.50 0.50 
assign (residue   7 and name HN     )(residue   8 and name HN     ) 3.00 1.00 0.50 
assign (residue   8 and name HB*    )(residue   9 and name HN     ) 3.50 1.50 0.50 
assign (residue   8 and name HN     )(residue   9 and name HN     ) 2.60 0.60 0.40 
assign (residue   9 and name HB*    )(residue  10 and name HN     ) 3.00 1.00 0.50 
assign (residue   9 and name HN     )(residue  10 and name HN     ) 2.60 0.60 0.40 
assign (residue  11 and name HN     )(residue  12 and name HN     ) 2.50 0.50 0.40 
assign (residue  12 and name HA     )(residue  13 and name HN     ) 4.00 2.00 1.00 
assign (residue  12 and name HB*    )(residue  13 and name HN     ) 3.00 1.00 0.50 
assign (residue  13 and name HA     )(residue  14 and name HN     ) 3.50 1.50 0.50 
assign (residue  13 and name HN     )(residue  14 and name HN     ) 2.50 0.50 0.40 

assign (residue   3 and name HN     )(residue   4 and name HN     ) 4.00 2.00 1.00 
assign (residue   4 and name HA*    )(residue   5 and name HN     ) 3.00 1.00 0.50 
assign (residue   4 and name HN     )(residue   5 and name HN     ) 3.00 1.00 0.50 
assign (residue   5 and name HA     )(residue   6 and name HN     ) 2.60 0.60 0.40 
assign (residue   5 and name HN     )(residue   6 and name HN     ) 3.00 1.00 0.50 
assign (residue   6 and name HA     )(residue   7 and name HN     ) 3.00 1.00 0.50 
assign (residue   6 and name HB*    )(residue   7 and name HN     ) 3.50 1.50 0.50 
assign (residue   6 and name HN     )(residue   7 and name HN     ) 2.60 0.60 0.40 
assign (residue   7 and name HA     )(residue   8 and name HN     ) 3.00 1.00 0.50 
assign (residue   8 and name HA     )(residue   9 and name HN     ) 3.00 1.00 0.50 
assign (residue   9 and name HA     )(residue  10 and name HN     ) 3.00 1.00 0.50 
assign (residue  11 and name HA     )(residue  12 and name HN     ) 3.00 1.00 0.50 
assign (residue  12 and name HN     )(residue  13 and name HN     ) 2.50 0.50 0.40 

assign (residue   7 and name HA     )(residue   9 and name HN     ) 4.00 2.00 1.00 
assign (residue   7 and name HA     )(residue  10 and name HB*    ) 3.50 1.50 0.50 
assign (residue   8 and name HA     )(residue  12 and name HN     ) 4.00 2.00 1.00 
assign (residue   9 and name HA     )(residue  12 and name HB*    ) 3.50 1.50 0.50 
assign (residue   9 and name HA     )(residue  12 and name HN     ) 3.00 1.00 0.50 
assign (residue   9 and name HA     )(residue  13 and name HN     ) 4.00 2.00 1.00 
assign (residue  10 and name HA     )(residue  13 and name HN     ) 3.00 1.00 0.50 
assign (residue  10 and name HD*    )(residue  14 and name HG*    ) 3.50 1.50 0.50 
assign (residue  11 and name HN     )(residue  13 and name HN     ) 4.00 2.00 1.00 
assign (residue  12 and name HN     )(residue  14 and name HN     ) 4.00 2.00 1.00 

assign (residue   5 and name HA     )(residue   7 and name HN     ) 4.00 2.00 1.00 
assign (residue   6 and name HA     )(residue   9 and name HB*    ) 4.00 2.00 1.00 
assign (residue   6 and name HD*    )(residue  10 and name HD*    ) 3.80 1.80 0.80 
assign (residue   6 and name HE*    )(residue  10 and name HD*    ) 3.80 1.80 0.80 
assign (residue   8 and name HA     )(residue  11 and name HN     ) 3.50 1.50 0.50 
assign (residue  10 and name HA     )(residue  13 and name HG*    ) 4.00 2.00 1.00 
assign (residue  11 and name HA     )(residue  14 and name HN     ) 3.50 1.50 0.50 

assign (residue  19 and name HN     )(residue  19 and name HG2*   ) 2.50 0.50 0.65 
assign (residue  19 and name HN     )(residue  19 and name HG1*   ) 4.50 1.50 1.50 

assign (residue  20 and name HB*    )(residue  20 and name HN     ) 2.60 0.60 0.40 

assign (residue  14 and name HN     )(residue  15 and name HN     ) 2.60 0.60 0.40 
assign (residue  15 and name HA     )(residue  16 and name HN     ) 3.50 1.50 0.50 
assign (residue  15 and name HB*    )(residue  16 and name HN     ) 3.00 1.00 0.50 
assign (residue  17 and name HA     )(residue  18 and name HN     ) 3.00 1.00 0.50 
assign (residue  18 and name HA     )(residue  19 and name HN     ) 4.00 2.00 1.00 
assign (residue  18 and name HB*    )(residue  19 and name HN     ) 3.00 1.00 0.80 
assign (residue  18 and name HN     )(residue  19 and name HN     ) 2.60 0.60 0.40 
assign (residue  19 and name HA     )(residue  20 and name HN     ) 4.00 2.00 1.00 

assign (residue  18 and name HB*    )(residue  19 and name HG2*   ) 3.80 1.80 0.80 
assign (residue  19 and name HN     )(residue  20 and name HN     ) 2.60 0.60 0.40 

assign (residue  12 and name HA     )(residue  15 and name HB*    ) 3.50 1.50 0.50 
assign (residue  12 and name HA     )(residue  15 and name HG*    ) 4.00 2.00 1.00 
assign (residue  13 and name HA     )(residue  16 and name HB*    ) 3.50 1.50 0.50 
assign (residue  13 and name HA     )(residue  16 and name HG*    ) 4.00 2.00 1.00 
assign (residue  13 and name HA     )(residue  16 and name HN     ) 3.00 1.00 0.50 
assign (residue  15 and name HA     )(residue  18 and name HB*    ) 3.00 1.00 0.80 
assign (residue  16 and name HA     )(residue  19 and name HB     ) 3.50 1.50 0.50 
assign (residue  16 and name HA     )(residue  19 and name HN     ) 3.00 1.00 0.50 
assign (residue  17 and name HA     )(residue  20 and name HB*    ) 3.00 1.00 0.50 

assign (residue  12 and name HA     )(residue  15 and name HN     ) 3.50 1.50 0.50 
assign (residue  13 and name HA     )(residue  17 and name HN     ) 4.00 2.00 1.00 
assign (residue  14 and name HA     )(residue  17 and name HN     ) 3.50 1.50 0.50 
assign (residue  15 and name HA     )(residue  18 and name HN     ) 3.50 1.50 0.50 
assign (residue  15 and name HA     )(residue  19 and name HN     ) 4.00 2.00 1.00 
assign (residue  16 and name HA     )(residue  19 and name HG2*   ) 3.00 1.00 0.80 
assign (residue  17 and name HA     )(residue  20 and name HN     ) 3.50 1.50 0.50 

assign (residue  37 and name HB1    )(residue  37 and name HD1    ) 3.00 1.00 0.50 
assign (residue  38 and name HB1    )(residue  38 and name HD1    ) 3.00 1.00 0.50 

assign (residue  22 and name HB1    )(residue  22 and name HN     ) 2.50 0.50 0.40 
assign (residue  22 and name HB2    )(residue  22 and name HN     ) 2.50 0.50 0.40 
assign (residue  23 and name HB     )(residue  23 and name HN     ) 2.60 0.60 0.40 
assign (residue  24 and name HB1    )(residue  24 and name HN     ) 3.00 1.00 0.50 
assign (residue  24 and name HB2    )(residue  24 and name HN     ) 2.50 0.50 0.40 
assign (residue  25 and name HB1    )(residue  25 and name HN     ) 2.50 0.50 0.40 
assign (residue  25 and name HB2    )(residue  25 and name HN     ) 2.50 0.50 0.40 
assign (residue  25 and name HD1    )(residue  25 and name HA     ) 2.60 0.60 0.40 
assign (residue  25 and name HD1    )(residue  25 and name HB2    ) 3.50 1.50 0.50 
assign (residue  25 and name HE3    )(residue  25 and name HB2    ) 3.50 1.50 0.50 
assign (residue  25 and name HE3    )(residue  25 and name HN     ) 4.00 2.00 1.00 
assign (residue  27 and name HB*    )(residue  27 and name HN     ) 2.60 0.60 0.40 
assign (residue  28 and name HB2    )(residue  28 and name HN     ) 3.50 1.50 0.50 
assign (residue  28 and name HB1    )(residue  28 and name HN     ) 2.50 0.50 0.40 
assign (residue  31 and name HA     )(residue  31 and name HG1    ) 3.00 1.00 0.50 
assign (residue  31 and name HB1    )(residue  31 and name HD2    ) 4.00 2.00 1.00 
assign (residue  31 and name HB1    )(residue  31 and name HD1    ) 4.00 2.00 1.00 
assign (residue  31 and name HB2    )(residue  31 and name HD2    ) 3.50 1.50 0.50 
assign (residue  32 and name HB1    )(residue  32 and name HN     ) 3.00 1.00 0.50 
assign (residue  32 and name HB2    )(residue  32 and name HN     ) 3.00 1.00 0.50 
assign (residue  33 and name HB1    )(residue  33 and name HN     ) 4.00 2.00 1.00 
assign (residue  33 and name HB2    )(residue  33 and name HN     ) 2.60 0.60 0.40 
assign (residue  36 and name HB1    )(residue  36 and name HD1    ) 3.00 1.00 0.50 

assign (residue  20 and name HA     )(residue  21 and name HN     ) 4.00 2.00 1.00 
assign (residue  20 and name HB*    )(residue  21 and name HN     ) 3.50 1.50 0.50 
assign (residue  20 and name HN     )(residue  21 and name HN     ) 2.60 0.60 0.40 
assign (residue  21 and name HA     )(residue  22 and name HN     ) 4.00 2.00 1.00 
assign (residue  21 and name HB*    )(residue  22 and name HN     ) 3.50 1.50 0.50 
assign (residue  22 and name HA     )(residue  23 and name HN     ) 4.00 2.00 1.00 
assign (residue  22 and name HB1    )(residue  23 and name HN     ) 3.00 1.00 0.50 
assign (residue  22 and name HB2    )(residue  23 and name HN     ) 4.00 2.00 1.00 
assign (residue  22 and name HN     )(residue  23 and name HN     ) 3.00 1.00 0.50 
assign (residue  22 and name HD*    )(residue  23 and name HG1*   ) 4.00 2.00 1.00 
assign (residue  23 and name HA     )(residue  24 and name HN     ) 4.00 2.00 1.00 
assign (residue  23 and name HB     )(residue  24 and name HN     ) 3.00 1.00 0.50 
assign (residue  23 and name HN     )(residue  24 and name HN     ) 3.00 1.00 0.50 
assign (residue  24 and name HA     )(residue  25 and name HN     ) 4.00 2.00 1.00 
assign (residue  25 and name HA     )(residue  26 and name HN     ) 4.00 2.00 1.00 
assign (residue  25 and name HB1    )(residue  26 and name HN     ) 3.00 1.00 0.50 
assign (residue  25 and name HN     )(residue  26 and name HN     ) 2.50 0.50 0.40 
assign (residue  25 and name HE3    )(residue  26 and name HD2*   ) 2.50 0.50 0.65 
assign (residue  25 and name HE3    )(residue  26 and name HG     ) 2.50 0.50 0.40 
assign (residue  25 and name HZ3    )(residue  26 and name HD2*   ) 2.50 0.50 0.65 
assign (residue  26 and name HA     )(residue  27 and name HN     ) 4.00 2.00 1.00 
assign (residue  26 and name HN     )(residue  27 and name HN     ) 2.50 0.50 0.40 
assign (residue  27 and name HA     )(residue  28 and name HN     ) 4.00 2.00 1.00 
assign (residue  27 and name HB*    )(residue  28 and name HN     ) 4.00 2.00 1.00 
assign (residue  27 and name HN     )(residue  28 and name HN     ) 2.50 0.50 0.40 
assign (residue  29 and name HA1    )(residue  30 and name HN     ) 3.50 1.50 0.50 
assign (residue  29 and name HA2    )(residue  30 and name HN     ) 3.50 1.50 0.50 
assign (residue  29 and name HN     )(residue  30 and name HN     ) 2.50 0.50 0.40 
assign (residue  30 and name HA2    )(residue  31 and name HD1    ) 4.00 2.00 1.00 
assign (residue  30 and name HA1    )(residue  31 and name HD2    ) 2.50 0.50 0.40 
assign (residue  30 and name HA2    )(residue  31 and name HD2    ) 4.00 2.00 1.00 
assign (residue  30 and name HA1    )(residue  31 and name HD1    ) 2.50 0.50 0.40 
assign (residue  31 and name HA     )(residue  32 and name HN     ) 3.50 1.50 0.50 
assign (residue  32 and name HA     )(residue  33 and name HN     ) 3.50 1.50 0.50 
assign (residue  32 and name HN     )(residue  33 and name HN     ) 3.00 1.00 0.50 
assign (residue  33 and name HA     )(residue  34 and name HN     ) 3.50 1.50 0.50 
assign (residue  33 and name HN     )(residue  34 and name HN     ) 2.60 0.60 0.40 
assign (residue  34 and name HN     )(residue  35 and name HN     ) 2.60 0.60 0.40 
assign (residue  37 and name HA     )(residue  38 and name HD*    ) 2.60 0.60 0.40 

assign (residue  21 and name HN     )(residue  22 and name HN     ) 3.00 1.00 0.50 
assign (residue  22 and name HD*    )(residue  23 and name HD1*   ) 4.50 1.50 1.50 
assign (residue  22 and name HD*    )(residue  23 and name HN     ) 3.50 1.50 0.50 
assign (residue  24 and name HB1    )(residue  25 and name HN     ) 3.50 1.50 0.50 
assign (residue  24 and name HB2    )(residue  25 and name HN     ) 3.50 1.50 0.50 
assign (residue  24 and name HN     )(residue  25 and name HN     ) 3.00 1.00 0.50 
assign (residue  25 and name HE3    )(residue  26 and name HA     ) 3.50 1.50 0.50 
assign (residue  25 and name HE3    )(residue  26 and name HN     ) 3.00 1.00 0.50 
assign (residue  25 and name HZ3    )(residue  26 and name HG     ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  26 and name HD2*   ) 4.50 1.50 1.50 
assign (residue  28 and name HA     )(residue  29 and name HN     ) 3.50 1.50 0.50 
assign (residue  28 and name HN     )(residue  29 and name HN     ) 2.50 0.50 0.40 
assign (residue  30 and name HN     )(residue  31 and name HD2    ) 4.00 2.00 1.00 
assign (residue  30 and name HN     )(residue  31 and name HD1    ) 4.00 2.00 1.00 
assign (residue  31 and name HB*    )(residue  32 and name HN     ) 4.00 2.00 1.00 
assign (residue  32 and name HN     )(residue  31 and name HD1    ) 4.00 2.00 1.00 
assign (residue  32 and name HN     )(residue  31 and name HD2    ) 3.50 1.50 0.50 
assign (residue  33 and name HB2    )(residue  34 and name HN     ) 4.00 2.00 1.00 
assign (residue  33 and name HB1    )(residue  34 and name HN     ) 4.00 2.00 1.00 
assign (residue  34 and name HA1    )(residue  35 and name HN     ) 3.50 1.50 0.50 
assign (residue  34 and name HA2    )(residue  35 and name HN     ) 3.00 1.00 0.50 
assign (residue  36 and name HD*    )(residue  35 and name HA     ) 2.50 0.50 0.40 
assign (residue  36 and name HD*    )(residue  35 and name HB*    ) 3.00 1.00 0.80 
assign (residue  37 and name HD1    )(residue  36 and name HA     ) 2.60 0.60 0.40 
assign (residue  37 and name HD2    )(residue  36 and name HA     ) 3.00 1.00 0.50 
assign (residue  37 and name HD2    )(residue  36 and name HB1    ) 2.50 0.50 0.40 
assign (residue  37 and name HD1    )(residue  36 and name HB1    ) 4.00 2.00 1.00 
assign (residue  37 and name HA     )(residue  38 and name HD2    ) 3.00 1.00 0.50 
assign (residue  37 and name HA     )(residue  38 and name HD1    ) 2.50 0.50 0.40 
assign (residue  37 and name HB2    )(residue  38 and name HD2    ) 3.00 1.00 0.50 

assign (residue  18 and name HA     )(residue  21 and name HB*    ) 3.50 1.50 0.50 
assign (residue  18 and name HA     )(residue  21 and name HN     ) 3.00 1.00 0.50 
assign (residue  19 and name HA     )(residue  21 and name HN     ) 4.00 2.00 1.00 
assign (residue  19 and name HA     )(residue  22 and name HB1    ) 3.00 1.00 0.50 
assign (residue  19 and name HA     )(residue  22 and name HN     ) 3.00 1.00 0.50 
assign (residue  19 and name HA     )(residue  23 and name HN     ) 4.00 2.00 1.00 
assign (residue  20 and name HA     )(residue  23 and name HB     ) 3.00 1.00 0.50 
assign (residue  20 and name HA     )(residue  23 and name HN     ) 3.00 1.00 0.50 
assign (residue  21 and name HN     )(residue  23 and name HN     ) 4.00 2.00 1.00 
assign (residue  21 and name HA     )(residue  24 and name HN     ) 3.00 1.00 0.50 
assign (residue  22 and name HD*    )(residue  19 and name HA     ) 3.50 1.50 0.50 
assign (residue  22 and name HD*    )(residue  19 and name HG1*   ) 3.80 1.80 0.80 
assign (residue  22 and name HA     )(residue  25 and name HN     ) 3.00 1.00 0.50 
assign (residue  22 and name HE*    )(residue  26 and name HD1*   ) 3.00 1.00 0.80 
assign (residue  22 and name HE*    )(residue  26 and name HD2*   ) 3.80 1.80 0.80 
assign (residue  23 and name HN     )(residue  25 and name HN     ) 4.00 2.00 1.00 
assign (residue  23 and name HA     )(residue  26 and name HB*    ) 3.50 1.50 0.50 
assign (residue  23 and name HA     )(residue  26 and name HN     ) 3.00 1.00 0.50 
assign (residue  23 and name HA     )(residue  27 and name HN     ) 4.00 2.00 1.00 
assign (residue  23 and name HG2*   )(residue  27 and name HE*    ) 3.80 1.80 0.80 
assign (residue  24 and name HN     )(residue  26 and name HN     ) 4.00 2.00 1.00 
assign (residue  24 and name HA     )(residue  27 and name HB*    ) 3.50 1.50 0.50 
assign (residue  24 and name HA     )(residue  27 and name HN     ) 3.00 1.00 0.50 
assign (residue  24 and name HA     )(residue  28 and name HN     ) 4.00 2.00 1.00 
assign (residue  25 and name HZ3    )(residue  22 and name HE*    ) 3.00 1.00 0.50 
assign (residue  25 and name HN     )(residue  27 and name HN     ) 4.00 2.00 1.00 
assign (residue  25 and name HA     )(residue  28 and name HB1    ) 3.50 1.50 0.50 
assign (residue  25 and name HA     )(residue  28 and name HN     ) 3.50 1.50 0.50 
assign (residue  26 and name HD1*   )(residue  23 and name HA     ) 3.00 1.00 1.00 
assign (residue  26 and name HA     )(residue  29 and name HN     ) 4.50 1.50 1.50 
assign (residue  26 and name HA     )(residue  30 and name HN     ) 2.50 0.50 0.40 
assign (residue  27 and name HN     )(residue  29 and name HN     ) 4.00 2.00 1.00 
assign (residue  28 and name HD21   )(residue  24 and name HG*    ) 3.50 1.50 0.50 
assign (residue  28 and name HN     )(residue  30 and name HN     ) 4.00 2.00 1.00 
assign (residue  29 and name HA1    )(residue  33 and name HB2    ) 4.00 2.00 1.00 
assign (residue  30 and name HA1    )(residue  26 and name HA     ) 3.50 1.50 0.50 
assign (residue  30 and name HA2    )(residue  26 and name HA     ) 3.00 1.00 0.50 
assign (residue  31 and name HA     )(residue  33 and name HN     ) 3.50 1.50 0.50 
assign (residue  31 and name HA     )(residue  34 and name HN     ) 4.00 2.00 1.00 
assign (residue  32 and name HA     )(residue  34 and name HN     ) 3.50 1.50 0.50 

assign (residue  17 and name HA     )(residue  21 and name HN     ) 4.00 2.00 1.00 
assign (residue  18 and name HA     )(residue  22 and name HN     ) 4.00 2.00 1.00 
assign (residue  19 and name HA     )(residue  22 and name HB2    ) 3.50 1.50 0.50 
assign (residue  20 and name HA     )(residue  23 and name HG2*   ) 3.80 1.80 0.80 
assign (residue  21 and name HA     )(residue  24 and name HB1    ) 3.00 1.00 0.50 
assign (residue  21 and name HA     )(residue  24 and name HB2    ) 3.00 1.00 0.50 
assign (residue  22 and name HA     )(residue  25 and name HB1    ) 3.50 1.50 0.50 
assign (residue  22 and name HA     )(residue  25 and name HB2    ) 3.50 1.50 0.50 
assign (residue  22 and name HD*    )(residue  26 and name HD1*   ) 3.80 1.80 0.80 
assign (residue  22 and name HZ     )(residue  26 and name HD2*   ) 3.00 1.00 0.80 
assign (residue  23 and name HD1*   )(residue  20 and name HA     ) 3.80 1.80 0.80 
assign (residue  23 and name HA     )(residue  26 and name HG     ) 4.00 2.00 1.00 
assign (residue  25 and name HE3    )(residue  22 and name HA     ) 3.00 1.00 0.50 
assign (residue  25 and name HE3    )(residue  22 and name HD*    ) 3.50 1.50 0.50 
assign (residue  25 and name HA     )(residue  28 and name HB2    ) 4.00 2.00 1.00 
assign (residue  26 and name HN     )(residue  28 and name HN     ) 4.00 2.00 1.00 
assign (residue  27 and name HA     )(residue  29 and name HN     ) 4.00 2.00 1.00 
assign (residue  30 and name HA1    )(residue  26 and name HD2*   ) 3.00 1.00 0.80 
assign (residue  30 and name HA2    )(residue  26 and name HD2*   ) 3.80 1.80 0.80 
assign (residue  30 and name HN     )(residue  26 and name HD2*   ) 3.80 1.80 0.80 
assign (residue  30 and name HA1    )(residue  32 and name HN     ) 3.50 1.50 0.50 
assign (residue  30 and name HA2    )(residue  32 and name HN     ) 4.00 2.00 1.00 
assign (residue  30 and name HN     )(residue  33 and name HB2    ) 4.00 2.00 1.00 
assign (residue  33 and name HB1    )(residue  35 and name HN     ) 4.00 2.00 1.00 

assign (residue  22 and name HA     )(residue  38 and name HG1    ) 3.00 1.00 0.50 
assign (residue  22 and name HD*    )(residue  38 and name HD2    ) 3.50 1.50 0.50 
assign (residue  25 and name HE3    )(residue  30 and name HA2    ) 3.50 1.50 0.50 
assign (residue  25 and name HZ3    )(residue  30 and name HA1    ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  31 and name HD1    ) 3.00 1.00 0.50 
assign (residue  25 and name HZ2    )(residue  31 and name HA     ) 2.50 0.50 0.40 
assign (residue  25 and name HZ2    )(residue  36 and name HA     ) 3.50 1.50 0.50 
assign (residue  25 and name HE1    )(residue  37 and name HA     ) 3.00 1.00 0.50 
assign (residue  25 and name HD1    )(residue  37 and name HA     ) 3.50 1.50 0.50 
assign (residue  25 and name HZ2    )(residue  37 and name HD1    ) 3.00 1.00 0.50 

assign (residue  22 and name HA     )(residue  38 and name HB1    ) 4.00 2.00 1.00 
assign (residue  22 and name HA     )(residue  38 and name HB2    ) 3.50 1.50 0.50 
assign (residue  22 and name HE*    )(residue  37 and name HB1    ) 4.00 2.00 1.00 
assign (residue  22 and name HD*    )(residue  37 and name HB2    ) 4.00 2.00 1.00 
assign (residue  22 and name HE*    )(residue  37 and name HB2    ) 4.00 2.00 1.00 
assign (residue  22 and name HB2    )(residue  38 and name HG*    ) 3.50 1.50 0.50 
assign (residue  22 and name HD*    )(residue  38 and name HD1    ) 4.00 2.00 1.00 
assign (residue  22 and name HD*    )(residue  38 and name HG*    ) 4.00 2.00 1.00 
assign (residue  25 and name HD1    )(residue  30 and name HA2    ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  30 and name HA2    ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  30 and name HA1    ) 4.00 2.00 1.00 
assign (residue  25 and name HE1    )(residue  31 and name HA     ) 4.00 2.00 1.00 
assign (residue  25 and name HZ3    )(residue  31 and name HD1    ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  31 and name HD2    ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  31 and name HG1    ) 3.00 1.00 0.50 
assign (residue  25 and name HH2    )(residue  31 and name HA     ) 3.00 1.00 0.50 
assign (residue  25 and name HH2    )(residue  31 and name HB1    ) 3.50 1.50 0.50 
assign (residue  25 and name HZ2    )(residue  31 and name HB1    ) 3.50 1.50 0.50 
assign (residue  25 and name HE1    )(residue  35 and name HB*    ) 3.80 1.80 0.80 
assign (residue  25 and name HE1    )(residue  35 and name HN     ) 3.50 1.50 0.50 
assign (residue  25 and name HD1    )(residue  35 and name HB*    ) 3.80 1.80 0.80 
assign (residue  25 and name HE1    )(residue  36 and name HA     ) 3.50 1.50 0.50 
assign (residue  25 and name HE1    )(residue  37 and name HD1    ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  37 and name HA     ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  37 and name HB1    ) 3.50 1.50 0.50 
assign (residue  25 and name HZ2    )(residue  37 and name HG1    ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  37 and name HD2    ) 4.00 2.00 1.00 
assign (residue  25 and name HE3    )(residue  37 and name HB1    ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  37 and name HB1    ) 4.00 2.00 1.00 
assign (residue  25 and name HZ2    )(residue  37 and name HB1    ) 4.00 2.00 1.00 
assign (residue  25 and name HH2    )(residue  37 and name HG1    ) 4.00 2.00 1.00 
assign (residue  25 and name HB1    )(residue  38 and name HD1    ) 4.00 2.00 1.00 
assign (residue  31 and name HD1    )(residue  26 and name HD2*   ) 3.80 1.80 0.80 
assign (residue  31 and name HD1    )(residue  26 and name HA     ) 4.00 2.00 1.00 
assign (residue  33 and name HB1    )(residue  28 and name HB2    ) 4.00 2.00 1.00 
assign (residue  33 and name HB2    )(residue  28 and name HB2    ) 4.00 2.00 1.00 

assign (residue   5 and name HA     )(residue   5 and name HB     ) 3.00 1.00 0.50 
   
assign (residue  19 and name HA     )(residue  19 and name HB     ) 3.50 1.50 0.50 

assign (residue  22 and name HA     )(residue  22 and name HB1    ) 3.50 1.50 0.50 
assign (residue  22 and name HA     )(residue  22 and name HB2    ) 2.50 0.50 0.40 
assign (residue  23 and name HA     )(residue  23 and name HB     ) 3.50 1.50 0.50 
assign (residue  25 and name HA     )(residue  25 and name HB1    ) 3.50 1.50 0.50 
assign (residue  25 and name HA     )(residue  25 and name HB2    ) 2.50 0.50 0.40 
assign (residue  26 and name HA     )(residue  26 and name HB1    ) 2.50 0.50 0.40 
assign (residue  30 and name HA1    )(residue  30 and name HN     ) 3.00 1.00 0.50 
assign (residue  30 and name HA2    )(residue  30 and name HN     ) 2.50 0.50 0.40 
assign (residue  34 and name HA1    )(residue  34 and name HN     ) 3.00 1.00 0.50 
assign (residue  34 and name HA2    )(residue  34 and name HN     ) 2.50 0.50 0.40 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          1HT       HIS   1 -23.495  16.885   8.049
    2   2H    HIS   1          2HT       HIS   1 -23.279  15.214   8.376
    3   3H    HIS   1          3HT       HIS   1 -23.686  16.294   9.647
    4    HA   HIS   1           HA       HIS   1 -25.771  16.774   8.518
    5   1HB   HIS   1          2HB       HIS   1 -24.440  15.190   6.495
    6   2HB   HIS   1          1HB       HIS   1 -26.001  14.483   6.899
    7    HD1  HIS   1           1HD      HIS   1 -24.561  16.839   4.672
    8    HD2  HIS   1           2HD      HIS   1 -28.110  16.671   6.826
    9    HE1  HIS   1           1HE      HIS   1 -26.114  18.457   3.536
   10    HE2  HIS   1           2HE      HIS   1 -28.224  18.406   4.912
   11    H    GLY   2           H        GLY   2 -24.472  13.437   8.719
   12   1HA   GLY   2          2HA       GLY   2 -26.096  12.967  11.095
   13   2HA   GLY   2          1HA       GLY   2 -26.491  11.995   9.686
   14    H    GLU   3           H        GLU   3 -25.092  10.367   9.019
   15    HA   GLU   3           HA       GLU   3 -23.117   9.575  11.040
   16   1HB   GLU   3          2HB       GLU   3 -25.123   8.105  10.114
   17   2HB   GLU   3          1HB       GLU   3 -23.960   7.735   8.849
   18   1HG   GLU   3          2HG       GLU   3 -22.595   6.568  10.248
   19   2HG   GLU   3          1HG       GLU   3 -23.067   7.499  11.668
   20    H    GLY   4           H        GLY   4 -21.054   8.770  10.421
   21   1HA   GLY   4          2HA       GLY   4 -20.086   8.781   7.764
   22   2HA   GLY   4          1HA       GLY   4 -19.687  10.309   8.537
   23    H    THR   5           H        THR   5 -19.477   6.794   9.086
   24    HA   THR   5           HA       THR   5 -17.112   7.199  10.754
   25    HB   THR   5           HB       THR   5 -18.374   4.538  10.122
   26    HG1  THR   5           1HG      THR   5 -19.202   6.416  12.077
   27   1HG2  THR   5          1HG2      THR   5 -16.181   5.136  11.625
   28   2HG2  THR   5          2HG2      THR   5 -17.181   3.692  11.798
   29   3HG2  THR   5          3HG2      THR   5 -17.464   5.090  12.835
   30    H    PHE   6           H        PHE   6 -16.239   8.004   8.517
   31    HA   PHE   6           HA       PHE   6 -15.038   5.740   7.071
   32   1HB   PHE   6          2HB       PHE   6 -14.706   7.272   5.195
   33   2HB   PHE   6          1HB       PHE   6 -16.398   7.241   5.675
   34    HD1  PHE   6           1HD      PHE   6 -13.364   9.247   5.470
   35    HD2  PHE   6           2HD      PHE   6 -17.418   9.170   6.765
   36    HE1  PHE   6           1HE      PHE   6 -13.338  11.696   5.685
   37    HE2  PHE   6           2HE      PHE   6 -17.398  11.619   6.980
   38    HZ   PHE   6           HZ       PHE   6 -15.357  12.886   6.440
   39    H    THR   7           H        THR   7 -14.332   8.714   8.803
   40    HA   THR   7           HA       THR   7 -11.638   9.030   8.156
   41    HB   THR   7           HB       THR   7 -12.760   9.624  10.889
   42    HG1  THR   7           1HG      THR   7 -13.158  11.089   8.492
   43   1HG2  THR   7          1HG2      THR   7 -11.082  11.523   9.358
   44   2HG2  THR   7          2HG2      THR   7 -10.297  10.112  10.066
   45   3HG2  THR   7          3HG2      THR   7 -11.183  11.238  11.096
   46    H    SER   8           H        SER   8 -13.175   6.932  10.531
   47    HA   SER   8           HA       SER   8 -10.937   6.166  12.007
   48   1HB   SER   8          2HB       SER   8 -13.431   5.624  12.409
   49   2HB   SER   8          1HB       SER   8 -13.158   4.245  11.345
   50    HG   SER   8           HG       SER   8 -12.303   4.684  13.932
   51    H    ASP   9           H        ASP   9 -12.298   4.710   9.072
   52    HA   ASP   9           HA       ASP   9 -10.221   2.731   8.884
   53   1HB   ASP   9          2HB       ASP   9 -12.718   2.768   7.934
   54   2HB   ASP   9          1HB       ASP   9 -11.894   3.406   6.514
   55    H    LEU  10           H        LEU  10 -10.858   5.884   7.468
   56    HA   LEU  10           HA       LEU  10  -8.963   5.834   5.401
   57   1HB   LEU  10          2HB       LEU  10 -10.832   7.606   6.225
   58   2HB   LEU  10          1HB       LEU  10  -9.379   8.405   6.794
   59    HG   LEU  10           HG       LEU  10  -9.675   7.482   3.946
   60   1HD1  LEU  10          1HD1      LEU  10 -11.451   8.942   4.022
   61   2HD1  LEU  10          2HD1      LEU  10 -10.124  10.027   3.611
   62   3HD1  LEU  10          3HD1      LEU  10 -10.715   9.944   5.271
   63   1HD2  LEU  10          1HD2      LEU  10  -7.771   9.184   5.482
   64   2HD2  LEU  10          2HD2      LEU  10  -8.064   9.549   3.782
   65   3HD2  LEU  10          3HD2      LEU  10  -7.453   7.962   4.250
   66    H    SER  11           H        SER  11  -8.661   6.751   8.812
   67    HA   SER  11           HA       SER  11  -6.067   7.791   8.741
   68   1HB   SER  11          2HB       SER  11  -7.969   7.333  10.708
   69   2HB   SER  11          1HB       SER  11  -6.629   6.289  11.181
   70    HG   SER  11           HG       SER  11  -6.057   8.168  12.052
   71    H    LYS  12           H        LYS  12  -7.191   4.467   9.211
   72    HA   LYS  12           HA       LYS  12  -4.601   3.353   9.612
   73   1HB   LYS  12          2HB       LYS  12  -7.342   2.380   9.399
   74   2HB   LYS  12          1HB       LYS  12  -6.192   1.297   8.627
   75   1HG   LYS  12          2HG       LYS  12  -4.857   1.479  10.808
   76   2HG   LYS  12          1HG       LYS  12  -6.342   2.141  11.495
   77   1HD   LYS  12          2HD       LYS  12  -7.524   0.089  10.638
   78   2HD   LYS  12          1HD       LYS  12  -5.933  -0.573  10.254
   79   1HE   LYS  12          2HE       LYS  12  -5.491   0.129  12.792
   80   2HE   LYS  12          1HE       LYS  12  -7.231  -0.133  12.882
   81   1HZ   LYS  12          1HZ       LYS  12  -6.963  -2.360  12.140
   82   2HZ   LYS  12          2HZ       LYS  12  -5.854  -2.121  13.394
   83   3HZ   LYS  12          3HZ       LYS  12  -5.324  -2.127  11.787
   84    H    GLN  13           H        GLN  13  -6.742   3.614   6.787
   85    HA   GLN  13           HA       GLN  13  -5.243   2.172   4.944
   86   1HB   GLN  13          2HB       GLN  13  -7.281   4.318   4.790
   87   2HB   GLN  13          1HB       GLN  13  -6.303   4.073   3.350
   88   1HG   GLN  13          2HG       GLN  13  -6.922   1.621   3.521
   89   2HG   GLN  13          1HG       GLN  13  -8.122   2.115   4.713
   90   1HE2  GLN  13          1HE2      GLN  13  -8.005   1.133   1.734
   91   2HE2  GLN  13          2HE2      GLN  13  -9.197   2.128   0.978
   92    H    MET  14           H        MET  14  -4.903   5.539   5.980
   93    HA   MET  14           HA       MET  14  -3.067   6.414   4.064
   94   1HB   MET  14          2HB       MET  14  -3.798   7.243   6.825
   95   2HB   MET  14          1HB       MET  14  -2.280   7.852   6.185
   96   1HG   MET  14          2HG       MET  14  -4.793   8.094   4.591
   97   2HG   MET  14          1HG       MET  14  -4.439   9.234   5.887
   98   1HE   MET  14          1HE       MET  14  -3.668  11.365   2.781
   99   2HE   MET  14          2HE       MET  14  -3.887  11.627   4.511
  100   3HE   MET  14          3HE       MET  14  -5.009  10.592   3.625
  101    H    GLU  15           H        GLU  15  -2.530   4.806   7.185
  102    HA   GLU  15           HA       GLU  15   0.297   4.862   7.090
  103   1HB   GLU  15          2HB       GLU  15  -1.740   3.815   8.828
  104   2HB   GLU  15          1HB       GLU  15  -0.509   2.588   8.565
  105   1HG   GLU  15          2HG       GLU  15   0.362   5.350   9.233
  106   2HG   GLU  15          1HG       GLU  15  -0.317   4.341  10.511
  107    H    GLU  16           H        GLU  16  -2.104   2.530   5.958
  108    HA   GLU  16           HA       GLU  16  -0.321   0.448   5.295
  109   1HB   GLU  16          2HB       GLU  16  -3.128   1.149   4.617
  110   2HB   GLU  16          1HB       GLU  16  -2.317   0.001   3.563
  111   1HG   GLU  16          2HG       GLU  16  -3.374  -1.344   5.121
  112   2HG   GLU  16          1HG       GLU  16  -1.718  -1.253   5.716
  113    H    GLU  17           H        GLU  17  -1.458   3.265   3.481
  114    HA   GLU  17           HA       GLU  17  -0.466   2.545   0.957
  115   1HB   GLU  17          2HB       GLU  17  -2.045   4.430   1.414
  116   2HB   GLU  17          1HB       GLU  17  -0.696   5.343   2.076
  117   1HG   GLU  17          2HG       GLU  17  -1.271   5.946  -0.252
  118   2HG   GLU  17          1HG       GLU  17   0.395   5.402  -0.052
  119    H    ALA  18           H        ALA  18   1.063   4.221   3.666
  120    HA   ALA  18           HA       ALA  18   3.460   4.947   2.395
  121   1HB   ALA  18          1HB       ALA  18   2.394   5.133   4.984
  122   2HB   ALA  18          2HB       ALA  18   3.880   5.864   4.376
  123   3HB   ALA  18          3HB       ALA  18   3.928   4.279   5.151
  124    H    VAL  19           H        VAL  19   2.463   1.950   3.974
  125    HA   VAL  19           HA       VAL  19   4.969   0.658   4.014
  126    HB   VAL  19           HB       VAL  19   2.261  -0.662   3.736
  127   1HG1  VAL  19          1HG1      VAL  19   4.981  -1.652   4.122
  128   2HG1  VAL  19          2HG1      VAL  19   3.531  -2.497   3.582
  129   3HG1  VAL  19          3HG1      VAL  19   3.828  -2.268   5.305
  130   1HG2  VAL  19          1HG2      VAL  19   3.329   0.904   5.887
  131   2HG2  VAL  19          2HG2      VAL  19   3.147  -0.772   6.404
  132   3HG2  VAL  19          3HG2      VAL  19   1.761   0.108   5.760
  133    H    ARG  20           H        ARG  20   2.379   0.745   1.582
  134    HA   ARG  20           HA       ARG  20   3.444  -1.112  -0.230
  135   1HB   ARG  20          2HB       ARG  20   1.533   1.177  -0.429
  136   2HB   ARG  20          1HB       ARG  20   2.157   0.489  -1.921
  137   1HG   ARG  20          2HG       ARG  20   1.188  -1.606  -1.487
  138   2HG   ARG  20          1HG       ARG  20   0.885  -1.206   0.206
  139   1HD   ARG  20          2HD       ARG  20  -1.191  -1.094  -1.013
  140   2HD   ARG  20          1HD       ARG  20  -0.712   0.534  -0.536
  141    HE   ARG  20           HE       ARG  20  -0.408   1.081  -2.752
  142   1HH1  ARG  20          1HH1      ARG  20  -0.942  -2.371  -2.474
  143   2HH1  ARG  20          2HH1      ARG  20  -1.136  -2.600  -4.179
  144   1HH2  ARG  20          1HH2      ARG  20  -0.662   0.768  -4.996
  145   2HH2  ARG  20          2HH2      ARG  20  -0.976  -0.821  -5.610
  146    H    LEU  21           H        LEU  21   3.922   2.406   0.029
  147    HA   LEU  21           HA       LEU  21   5.559   2.695  -2.250
  148   1HB   LEU  21          2HB       LEU  21   4.859   4.313   0.111
  149   2HB   LEU  21          1HB       LEU  21   6.437   4.667  -0.567
  150    HG   LEU  21           HG       LEU  21   5.244   4.923  -2.813
  151   1HD1  LEU  21          1HD1      LEU  21   3.158   3.848  -2.276
  152   2HD1  LEU  21          2HD1      LEU  21   2.856   5.548  -2.637
  153   3HD1  LEU  21          3HD1      LEU  21   2.864   4.991  -0.964
  154   1HD2  LEU  21          1HD2      LEU  21   4.133   7.086  -1.237
  155   2HD2  LEU  21          2HD2      LEU  21   5.428   7.110  -2.435
  156   3HD2  LEU  21          3HD2      LEU  21   5.788   6.704  -0.757
  157    H    PHE  22           H        PHE  22   6.333   2.130   1.168
  158    HA   PHE  22           HA       PHE  22   9.135   2.192   0.923
  159   1HB   PHE  22          2HB       PHE  22   8.164   2.356   3.103
  160   2HB   PHE  22          1HB       PHE  22   7.303   0.834   2.905
  161    HD1  PHE  22           1HD      PHE  22   8.153  -1.017   3.942
  162    HD2  PHE  22           2HD      PHE  22  10.803   2.139   2.877
  163    HE1  PHE  22           1HE      PHE  22  10.009  -2.211   5.033
  164    HE2  PHE  22           2HE      PHE  22  12.663   0.950   3.966
  165    HZ   PHE  22           HZ       PHE  22  12.266  -1.227   5.046
  166    H    ILE  23           H        ILE  23   6.779  -0.434   0.626
  167    HA   ILE  23           HA       ILE  23   8.581  -2.576   0.361
  168    HB   ILE  23           HB       ILE  23   5.758  -2.185  -0.631
  169   1HG1  ILE  23          2HG1      ILE  23   6.690  -4.167   1.423
  170   2HG1  ILE  23          1HG1      ILE  23   6.450  -2.482   1.869
  171   1HG2  ILE  23          1HG2      ILE  23   5.712  -4.611  -1.099
  172   2HG2  ILE  23          2HG2      ILE  23   7.456  -4.665  -0.846
  173   3HG2  ILE  23          3HG2      ILE  23   6.788  -3.719  -2.176
  174   1HD1  ILE  23          1HD1      ILE  23   4.536  -4.193   2.198
  175   2HD1  ILE  23          2HD1      ILE  23   4.276  -3.966   0.469
  176   3HD1  ILE  23          3HD1      ILE  23   4.171  -2.587   1.564
  177    H    GLU  24           H        GLU  24   7.058  -0.472  -2.072
  178    HA   GLU  24           HA       GLU  24   8.158  -1.711  -4.352
  179   1HB   GLU  24          2HB       GLU  24   6.252  -0.062  -4.316
  180   2HB   GLU  24          1HB       GLU  24   7.437   1.208  -4.061
  181   1HG   GLU  24          2HG       GLU  24   8.508   0.601  -6.196
  182   2HG   GLU  24          1HG       GLU  24   7.250  -0.606  -6.455
  183    H    TRP  25           H        TRP  25   9.336   0.855  -2.238
  184    HA   TRP  25           HA       TRP  25  11.558   1.641  -3.776
  185   1HB   TRP  25          2HB       TRP  25  10.752   3.048  -1.988
  186   2HB   TRP  25          1HB       TRP  25  11.048   1.785  -0.799
  187    HD1  TRP  25           HD       TRP  25  13.138   3.941  -3.267
  188    HE1  TRP  25           1HE      TRP  25  15.393   4.458  -2.138
  189    HE3  TRP  25           3HE      TRP  25  12.515   1.269   1.046
  190    HZ2  TRP  25           2HZ      TRP  25  16.730   3.817   0.266
  191    HZ3  TRP  25           3HZ      TRP  25  14.329   1.272   2.710
  192    HH2  TRP  25           HH       TRP  25  16.392   2.520   2.326
  193    H    LEU  26           H        LEU  26  11.149  -0.865  -1.306
  194    HA   LEU  26           HA       LEU  26  13.907  -1.567  -1.178
  195   1HB   LEU  26          2HB       LEU  26  11.393  -3.013  -0.364
  196   2HB   LEU  26          1HB       LEU  26  12.991  -3.697  -0.133
  197    HG   LEU  26           HG       LEU  26  11.924  -1.166   1.122
  198   1HD1  LEU  26          1HD1      LEU  26  12.307  -3.969   2.043
  199   2HD1  LEU  26          2HD1      LEU  26  11.009  -2.830   2.394
  200   3HD1  LEU  26          3HD1      LEU  26  12.573  -2.656   3.191
  201   1HD2  LEU  26          1HD2      LEU  26  14.630  -2.459   1.466
  202   2HD2  LEU  26          2HD2      LEU  26  14.039  -1.015   2.288
  203   3HD2  LEU  26          3HD2      LEU  26  14.318  -0.986   0.545
  204    H    LYS  27           H        LYS  27  11.221  -2.532  -3.203
  205    HA   LYS  27           HA       LYS  27  12.374  -4.875  -4.294
  206   1HB   LYS  27          2HB       LYS  27   9.960  -3.398  -4.594
  207   2HB   LYS  27          1HB       LYS  27  10.639  -3.642  -6.198
  208   1HG   LYS  27          2HG       LYS  27  10.907  -6.114  -5.367
  209   2HG   LYS  27          1HG       LYS  27   9.641  -5.641  -4.231
  210   1HD   LYS  27          2HD       LYS  27   9.060  -4.768  -6.939
  211   2HD   LYS  27          1HD       LYS  27   9.286  -6.515  -6.842
  212   1HE   LYS  27          2HE       LYS  27   7.595  -5.202  -4.779
  213   2HE   LYS  27          1HE       LYS  27   6.933  -5.378  -6.404
  214   1HZ   LYS  27          1HZ       LYS  27   7.972  -7.577  -4.697
  215   2HZ   LYS  27          2HZ       LYS  27   7.379  -7.761  -6.270
  216   3HZ   LYS  27          3HZ       LYS  27   6.344  -7.260  -5.030
  217    H    ASN  28           H        ASN  28  12.501  -1.463  -5.249
  218    HA   ASN  28           HA       ASN  28  13.850  -1.984  -7.719
  219   1HB   ASN  28          2HB       ASN  28  14.071   0.409  -7.935
  220   2HB   ASN  28          1HB       ASN  28  12.456   0.037  -7.346
  221   1HD2  ASN  28          1HD2      ASN  28  11.934   1.804  -6.233
  222   2HD2  ASN  28          2HD2      ASN  28  12.848   2.463  -4.923
  223    H    GLY  29           H        GLY  29  14.918  -1.997  -4.500
  224   1HA   GLY  29          2HA       GLY  29  17.351  -2.881  -4.602
  225   2HA   GLY  29          1HA       GLY  29  17.666  -1.283  -5.259
  226    H    GLY  30           H        GLY  30  15.409  -0.349  -3.293
  227   1HA   GLY  30          2HA       GLY  30  15.276   0.473  -1.161
  228   2HA   GLY  30          1HA       GLY  30  16.446  -0.749  -0.685
  229    HA   PRO  31           HA       PRO  31  18.792   3.033   0.165
  230   1HB   PRO  31          2HB       PRO  31  20.756   1.044   1.132
  231   2HB   PRO  31          1HB       PRO  31  20.057   2.434   1.967
  232   1HG   PRO  31          2HG       PRO  31  19.331  -0.064   2.583
  233   2HG   PRO  31          1HG       PRO  31  18.162   1.268   2.598
  234   1HD   PRO  31          2HD       PRO  31  18.576  -0.870   0.547
  235   2HD   PRO  31          1HD       PRO  31  17.062  -0.167   1.155
  236    H    SER  32           H        SER  32  20.056   0.085  -1.360
  237    HA   SER  32           HA       SER  32  22.170   1.615  -2.662
  238   1HB   SER  32          2HB       SER  32  22.730  -0.780  -3.535
  239   2HB   SER  32          1HB       SER  32  23.065  -0.379  -1.855
  240    HG   SER  32           HG       SER  32  21.577  -1.747  -1.234
  241    H    SER  33           H        SER  33  19.675   2.369  -3.544
  242    HA   SER  33           HA       SER  33  19.528   1.168  -6.231
  243   1HB   SER  33          2HB       SER  33  17.479   0.841  -4.837
  244   2HB   SER  33          1HB       SER  33  17.291   2.591  -4.773
  245    HG   SER  33           HG       SER  33  16.817   0.830  -6.852
  246    H    GLY  34           H        GLY  34  19.570   4.170  -4.373
  247   1HA   GLY  34          2HA       GLY  34  20.933   5.923  -5.583
  248   2HA   GLY  34          1HA       GLY  34  19.803   5.676  -6.903
  249    H    ALA  35           H        ALA  35  17.424   5.482  -5.429
  250    HA   ALA  35           HA       ALA  35  17.067   8.288  -4.696
  251   1HB   ALA  35          1HB       ALA  35  14.920   6.206  -5.039
  252   2HB   ALA  35          2HB       ALA  35  15.579   7.153  -6.373
  253   3HB   ALA  35          3HB       ALA  35  14.741   7.961  -5.049
  254    HA   PRO  36           HA       PRO  36  16.723   7.505  -0.359
  255   1HB   PRO  36          2HB       PRO  36  14.981   9.437   0.397
  256   2HB   PRO  36          1HB       PRO  36  16.646   9.786  -0.082
  257   1HG   PRO  36          2HG       PRO  36  14.125  10.020  -1.682
  258   2HG   PRO  36          1HG       PRO  36  15.495  11.143  -1.580
  259   1HD   PRO  36          2HD       PRO  36  15.172   9.412  -3.640
  260   2HD   PRO  36          1HD       PRO  36  16.770   9.920  -3.057
  261    HA   PRO  37           HA       PRO  37  13.186   5.006   0.526
  262   1HB   PRO  37          2HB       PRO  37  12.920   5.304   3.211
  263   2HB   PRO  37          1HB       PRO  37  14.230   4.377   2.472
  264   1HG   PRO  37          2HG       PRO  37  14.252   7.178   3.523
  265   2HG   PRO  37          1HG       PRO  37  15.466   5.900   3.720
  266   1HD   PRO  37          2HD       PRO  37  15.734   7.901   1.914
  267   2HD   PRO  37          1HD       PRO  37  16.379   6.270   1.637
  268    HA   PRO  38           HA       PRO  38   9.691   7.774   0.490
  269   1HB   PRO  38          2HB       PRO  38   7.735   5.918   0.350
  270   2HB   PRO  38          1HB       PRO  38   8.791   6.280  -1.020
  271   1HG   PRO  38          2HG       PRO  38   8.922   4.020   0.933
  272   2HG   PRO  38          1HG       PRO  38   9.160   3.997  -0.823
  273   1HD   PRO  38          2HD       PRO  38  11.212   4.004   0.979
  274   2HD   PRO  38          1HD       PRO  38  11.341   4.675  -0.659
  275    H    SER  39           H        SER  39   9.960   8.598   2.630
  276    HA   SER  39           HA       SER  39   8.229   7.296   4.629
  277   1HB   SER  39          2HB       SER  39  10.975   8.425   4.898
  278   2HB   SER  39          1HB       SER  39   9.861   8.645   6.250
  279    HG   SER  39           HG       SER  39  10.941   6.290   5.187
  Start of MODEL    2
    1   1H    HIS   1          1HT       HIS   1 -20.680   1.244  13.499
    2   2H    HIS   1          2HT       HIS   1 -19.397   1.982  12.629
    3   3H    HIS   1          3HT       HIS   1 -20.381   2.921  13.674
    4    HA   HIS   1           HA       HIS   1 -19.612   1.589  15.538
    5   1HB   HIS   1          2HB       HIS   1 -19.009  -0.380  14.135
    6   2HB   HIS   1          1HB       HIS   1 -17.650   0.532  13.486
    7    HD1  HIS   1           1HD      HIS   1 -15.639  -0.536  14.468
    8    HD2  HIS   1           2HD      HIS   1 -18.627   0.046  17.297
    9    HE1  HIS   1           1HE      HIS   1 -14.630  -1.230  16.663
   10    HE2  HIS   1           2HE      HIS   1 -16.424  -0.778  18.374
   11    H    GLY   2           H        GLY   2 -17.327   2.621  12.975
   12   1HA   GLY   2          2HA       GLY   2 -16.498   4.838  14.726
   13   2HA   GLY   2          1HA       GLY   2 -15.281   3.766  14.049
   14    H    GLU   3           H        GLU   3 -18.084   5.685  12.943
   15    HA   GLU   3           HA       GLU   3 -16.544   6.388  10.534
   16   1HB   GLU   3          2HB       GLU   3 -18.841   5.223  10.388
   17   2HB   GLU   3          1HB       GLU   3 -19.510   6.779  10.857
   18   1HG   GLU   3          2HG       GLU   3 -18.298   7.775   8.896
   19   2HG   GLU   3          1HG       GLU   3 -17.922   6.128   8.389
   20    H    GLY   4           H        GLY   4 -16.086   8.472  10.057
   21   1HA   GLY   4          2HA       GLY   4 -17.327  10.594  11.676
   22   2HA   GLY   4          1HA       GLY   4 -15.574  10.473  11.617
   23    H    THR   5           H        THR   5 -14.488  11.346   9.927
   24    HA   THR   5           HA       THR   5 -15.899  12.071   7.494
   25    HB   THR   5           HB       THR   5 -16.347  14.011   8.857
   26    HG1  THR   5           1HG      THR   5 -15.857  15.287   7.279
   27   1HG2  THR   5          1HG2      THR   5 -13.381  14.231   9.317
   28   2HG2  THR   5          2HG2      THR   5 -14.598  13.827  10.527
   29   3HG2  THR   5          3HG2      THR   5 -14.593  15.424   9.780
   30    H    PHE   6           H        PHE   6 -14.228  10.207   7.241
   31    HA   PHE   6           HA       PHE   6 -12.367   9.468   6.172
   32   1HB   PHE   6          2HB       PHE   6 -12.933  11.856   4.969
   33   2HB   PHE   6          1HB       PHE   6 -11.272  12.110   5.494
   34    HD1  PHE   6           1HD      PHE   6  -9.596  11.508   4.046
   35    HD2  PHE   6           2HD      PHE   6 -13.338   9.493   3.817
   36    HE1  PHE   6           1HE      PHE   6  -8.787  10.236   2.104
   37    HE2  PHE   6           2HE      PHE   6 -12.535   8.216   1.872
   38    HZ   PHE   6           HZ       PHE   6 -10.256   8.587   1.013
   39    H    THR   7           H        THR   7 -12.296  10.798   9.028
   40    HA   THR   7           HA       THR   7  -9.502  11.433   9.330
   41    HB   THR   7           HB       THR   7 -10.270  11.277  11.858
   42    HG1  THR   7           1HG      THR   7 -12.336  11.104  12.156
   43   1HG2  THR   7          1HG2      THR   7 -11.401  13.573  11.584
   44   2HG2  THR   7          2HG2      THR   7 -10.920  13.425   9.894
   45   3HG2  THR   7          3HG2      THR   7  -9.697  13.397  11.165
   46    H    SER   8           H        SER   8 -11.653   8.856  10.481
   47    HA   SER   8           HA       SER   8  -9.590   7.301  11.655
   48   1HB   SER   8          2HB       SER   8 -12.378   6.521  10.769
   49   2HB   SER   8          1HB       SER   8 -11.312   5.499  11.732
   50    HG   SER   8           HG       SER   8 -12.769   7.731  12.463
   51    H    ASP   9           H        ASP   9 -11.071   7.338   8.460
   52    HA   ASP   9           HA       ASP   9  -9.871   4.921   7.551
   53   1HB   ASP   9          2HB       ASP   9 -11.897   6.402   6.606
   54   2HB   ASP   9          1HB       ASP   9 -10.606   7.025   5.583
   55    H    LEU  10           H        LEU  10  -8.983   8.334   7.324
   56    HA   LEU  10           HA       LEU  10  -6.824   8.055   5.555
   57   1HB   LEU  10          2HB       LEU  10  -7.796  10.103   7.422
   58   2HB   LEU  10          1HB       LEU  10  -6.067  10.152   7.136
   59    HG   LEU  10           HG       LEU  10  -8.163  10.246   4.966
   60   1HD1  LEU  10          1HD1      LEU  10  -7.769  12.578   4.802
   61   2HD1  LEU  10          2HD1      LEU  10  -6.438  12.503   5.957
   62   3HD1  LEU  10          3HD1      LEU  10  -8.095  12.236   6.502
   63   1HD2  LEU  10          1HD2      LEU  10  -6.412   9.591   3.725
   64   2HD2  LEU  10          2HD2      LEU  10  -5.240   9.993   4.981
   65   3HD2  LEU  10          3HD2      LEU  10  -5.866  11.257   3.921
   66    H    SER  11           H        SER  11  -7.017   7.650   9.055
   67    HA   SER  11           HA       SER  11  -4.258   7.573   9.588
   68   1HB   SER  11          2HB       SER  11  -6.138   7.755  11.287
   69   2HB   SER  11          1HB       SER  11  -6.357   6.015  11.101
   70    HG   SER  11           HG       SER  11  -4.574   5.665  12.191
   71    H    LYS  12           H        LYS  12  -6.546   5.008   8.739
   72    HA   LYS  12           HA       LYS  12  -4.536   2.946   8.879
   73   1HB   LYS  12          2HB       LYS  12  -7.354   3.031   8.818
   74   2HB   LYS  12          1HB       LYS  12  -6.861   2.156   7.374
   75   1HG   LYS  12          2HG       LYS  12  -6.069   0.393   8.543
   76   2HG   LYS  12          1HG       LYS  12  -5.524   1.389   9.893
   77   1HD   LYS  12          2HD       LYS  12  -7.300   0.142  10.772
   78   2HD   LYS  12          1HD       LYS  12  -8.008   1.718  10.415
   79   1HE   LYS  12          2HE       LYS  12  -8.978   0.878   8.378
   80   2HE   LYS  12          1HE       LYS  12  -8.149  -0.667   8.576
   81   1HZ   LYS  12          1HZ       LYS  12  -9.456  -1.111  10.533
   82   2HZ   LYS  12          2HZ       LYS  12 -10.492  -0.754   9.243
   83   3HZ   LYS  12          3HZ       LYS  12 -10.200   0.407  10.439
   84    H    GLN  13           H        GLN  13  -6.028   4.901   6.362
   85    HA   GLN  13           HA       GLN  13  -5.029   3.427   4.153
   86   1HB   GLN  13          2HB       GLN  13  -6.928   5.217   4.279
   87   2HB   GLN  13          1HB       GLN  13  -5.625   6.364   4.010
   88   1HG   GLN  13          2HG       GLN  13  -5.128   5.462   1.896
   89   2HG   GLN  13          1HG       GLN  13  -6.093   4.018   2.199
   90   1HE2  GLN  13          1HE2      GLN  13  -8.436   4.342   2.439
   91   2HE2  GLN  13          2HE2      GLN  13  -9.196   5.579   1.502
   92    H    MET  14           H        MET  14  -3.878   6.390   5.776
   93    HA   MET  14           HA       MET  14  -1.672   6.865   4.112
   94   1HB   MET  14          2HB       MET  14  -2.418   7.663   6.889
   95   2HB   MET  14          1HB       MET  14  -0.764   7.937   6.360
   96   1HG   MET  14          2HG       MET  14  -2.838   8.835   4.487
   97   2HG   MET  14          1HG       MET  14  -2.791   9.688   6.027
   98   1HE   MET  14          1HE       MET  14  -2.634  10.894   3.437
   99   2HE   MET  14          2HE       MET  14  -1.080  11.468   2.834
  100   3HE   MET  14          3HE       MET  14  -1.790  12.196   4.275
  101    H    GLU  15           H        GLU  15  -1.992   4.870   7.017
  102    HA   GLU  15           HA       GLU  15   0.767   4.216   7.227
  103   1HB   GLU  15          2HB       GLU  15  -1.751   3.056   8.386
  104   2HB   GLU  15          1HB       GLU  15  -0.201   2.266   8.632
  105   1HG   GLU  15          2HG       GLU  15  -0.551   5.162   9.282
  106   2HG   GLU  15          1HG       GLU  15  -1.078   3.913  10.411
  107    H    GLU  16           H        GLU  16  -2.023   2.568   5.757
  108    HA   GLU  16           HA       GLU  16  -0.615   0.227   5.004
  109   1HB   GLU  16          2HB       GLU  16  -3.171   0.648   5.161
  110   2HB   GLU  16          1HB       GLU  16  -3.017   1.254   3.519
  111   1HG   GLU  16          2HG       GLU  16  -3.618  -0.958   3.222
  112   2HG   GLU  16          1HG       GLU  16  -1.868  -0.985   3.017
  113    H    GLU  17           H        GLU  17  -1.475   3.174   3.198
  114    HA   GLU  17           HA       GLU  17  -0.370   2.403   0.734
  115   1HB   GLU  17          2HB       GLU  17  -0.838   5.131   1.936
  116   2HB   GLU  17          1HB       GLU  17  -0.270   4.894   0.290
  117   1HG   GLU  17          2HG       GLU  17  -2.866   3.842   1.398
  118   2HG   GLU  17          1HG       GLU  17  -2.687   5.296   0.418
  119    H    ALA  18           H        ALA  18   1.069   3.946   3.555
  120    HA   ALA  18           HA       ALA  18   3.542   4.642   2.382
  121   1HB   ALA  18          1HB       ALA  18   2.919   4.025   5.270
  122   2HB   ALA  18          2HB       ALA  18   2.796   5.603   4.492
  123   3HB   ALA  18          3HB       ALA  18   4.371   4.832   4.677
  124    H    VAL  19           H        VAL  19   2.406   1.689   3.981
  125    HA   VAL  19           HA       VAL  19   4.908   0.372   4.100
  126    HB   VAL  19           HB       VAL  19   2.144  -0.851   3.920
  127   1HG1  VAL  19          1HG1      VAL  19   4.821  -2.014   4.106
  128   2HG1  VAL  19          2HG1      VAL  19   3.292  -2.755   3.637
  129   3HG1  VAL  19          3HG1      VAL  19   3.703  -2.590   5.343
  130   1HG2  VAL  19          1HG2      VAL  19   3.177   0.730   5.933
  131   2HG2  VAL  19          2HG2      VAL  19   3.482  -0.910   6.503
  132   3HG2  VAL  19          3HG2      VAL  19   1.842  -0.411   6.088
  133    H    ARG  20           H        ARG  20   2.304   0.341   1.673
  134    HA   ARG  20           HA       ARG  20   3.466  -1.545  -0.066
  135   1HB   ARG  20          2HB       ARG  20   1.072  -0.599  -0.065
  136   2HB   ARG  20          1HB       ARG  20   1.736   0.739  -0.991
  137   1HG   ARG  20          2HG       ARG  20   0.845  -0.755  -2.568
  138   2HG   ARG  20          1HG       ARG  20   2.594  -0.985  -2.627
  139   1HD   ARG  20          2HD       ARG  20   2.266  -2.904  -1.015
  140   2HD   ARG  20          1HD       ARG  20   0.535  -2.745  -1.312
  141    HE   ARG  20           HE       ARG  20   1.590  -2.961  -3.802
  142   1HH1  ARG  20          1HH1      ARG  20   1.856  -4.904  -0.902
  143   2HH1  ARG  20          2HH1      ARG  20   2.078  -6.387  -1.768
  144   1HH2  ARG  20          1HH2      ARG  20   1.882  -4.919  -4.937
  145   2HH2  ARG  20          2HH2      ARG  20   2.094  -6.396  -4.058
  146    H    LEU  21           H        LEU  21   3.731   1.994   0.090
  147    HA   LEU  21           HA       LEU  21   5.294   2.302  -2.248
  148   1HB   LEU  21          2HB       LEU  21   4.035   4.079  -0.847
  149   2HB   LEU  21          1HB       LEU  21   5.489   4.123   0.133
  150    HG   LEU  21           HG       LEU  21   6.795   4.742  -1.884
  151   1HD1  LEU  21          1HD1      LEU  21   5.418   5.598  -3.836
  152   2HD1  LEU  21          2HD1      LEU  21   4.075   4.675  -3.161
  153   3HD1  LEU  21          3HD1      LEU  21   5.548   3.847  -3.668
  154   1HD2  LEU  21          1HD2      LEU  21   6.392   6.942  -1.562
  155   2HD2  LEU  21          2HD2      LEU  21   5.357   6.340  -0.268
  156   3HD2  LEU  21          3HD2      LEU  21   4.656   6.774  -1.827
  157    H    PHE  22           H        PHE  22   6.123   1.839   1.163
  158    HA   PHE  22           HA       PHE  22   8.925   2.096   0.889
  159   1HB   PHE  22          2HB       PHE  22   7.940   2.267   3.072
  160   2HB   PHE  22          1HB       PHE  22   7.206   0.675   2.932
  161    HD1  PHE  22           1HD      PHE  22   8.214  -1.069   4.006
  162    HD2  PHE  22           2HD      PHE  22  10.583   2.268   2.843
  163    HE1  PHE  22           1HE      PHE  22  10.169  -2.071   5.122
  164    HE2  PHE  22           2HE      PHE  22  12.541   1.274   3.951
  165    HZ   PHE  22           HZ       PHE  22  12.335  -0.900   5.092
  166    H    ILE  23           H        ILE  23   6.726  -0.676   0.707
  167    HA   ILE  23           HA       ILE  23   8.649  -2.713   0.459
  168    HB   ILE  23           HB       ILE  23   5.795  -2.519  -0.504
  169   1HG1  ILE  23          2HG1      ILE  23   6.887  -4.362   1.603
  170   2HG1  ILE  23          1HG1      ILE  23   6.511  -2.688   1.989
  171   1HG2  ILE  23          1HG2      ILE  23   7.792  -4.425  -1.321
  172   2HG2  ILE  23          2HG2      ILE  23   6.118  -4.257  -1.848
  173   3HG2  ILE  23          3HG2      ILE  23   6.501  -5.223  -0.423
  174   1HD1  ILE  23          1HD1      ILE  23   4.196  -3.171   1.036
  175   2HD1  ILE  23          2HD1      ILE  23   4.609  -3.884   2.596
  176   3HD1  ILE  23          3HD1      ILE  23   4.652  -4.873   1.136
  177    H    GLU  24           H        GLU  24   6.978  -0.756  -2.003
  178    HA   GLU  24           HA       GLU  24   8.117  -1.986  -4.266
  179   1HB   GLU  24          2HB       GLU  24   6.134  -0.440  -4.257
  180   2HB   GLU  24          1HB       GLU  24   7.249   0.900  -4.029
  181   1HG   GLU  24          2HG       GLU  24   8.312   0.411  -6.152
  182   2HG   GLU  24          1HG       GLU  24   7.262  -0.987  -6.376
  183    H    TRP  25           H        TRP  25   9.169   0.729  -2.264
  184    HA   TRP  25           HA       TRP  25  11.363   1.543  -3.838
  185   1HB   TRP  25          2HB       TRP  25  10.504   3.003  -2.123
  186   2HB   TRP  25          1HB       TRP  25  10.806   1.803  -0.875
  187    HD1  TRP  25           HD       TRP  25  12.827   4.030  -3.324
  188    HE1  TRP  25           1HE      TRP  25  15.067   4.614  -2.197
  189    HE3  TRP  25           3HE      TRP  25  12.338   1.250   0.937
  190    HZ2  TRP  25           2HZ      TRP  25  16.444   3.980   0.187
  191    HZ3  TRP  25           3HZ      TRP  25  14.160   1.295   2.589
  192    HH2  TRP  25           HH       TRP  25  16.169   2.630   2.221
  193    H    LEU  26           H        LEU  26  11.032  -0.894  -1.293
  194    HA   LEU  26           HA       LEU  26  13.824  -1.486  -1.141
  195   1HB   LEU  26          2HB       LEU  26  11.352  -2.929  -0.214
  196   2HB   LEU  26          1HB       LEU  26  12.955  -3.610  -0.012
  197    HG   LEU  26           HG       LEU  26  11.938  -1.035   1.193
  198   1HD1  LEU  26          1HD1      LEU  26  12.393  -3.802   2.218
  199   2HD1  LEU  26          2HD1      LEU  26  11.042  -2.704   2.501
  200   3HD1  LEU  26          3HD1      LEU  26  12.588  -2.421   3.299
  201   1HD2  LEU  26          1HD2      LEU  26  14.292  -0.836   0.571
  202   2HD2  LEU  26          2HD2      LEU  26  14.651  -2.333   1.432
  203   3HD2  LEU  26          3HD2      LEU  26  14.099  -0.916   2.323
  204    H    LYS  27           H        LYS  27  11.120  -2.672  -3.034
  205    HA   LYS  27           HA       LYS  27  12.296  -5.020  -4.049
  206   1HB   LYS  27          2HB       LYS  27  10.062  -3.233  -4.937
  207   2HB   LYS  27          1HB       LYS  27  10.624  -4.513  -6.004
  208   1HG   LYS  27          2HG       LYS  27  10.217  -5.526  -3.343
  209   2HG   LYS  27          1HG       LYS  27   8.767  -4.712  -3.932
  210   1HD   LYS  27          2HD       LYS  27   9.933  -6.358  -5.996
  211   2HD   LYS  27          1HD       LYS  27   9.621  -7.302  -4.539
  212   1HE   LYS  27          2HE       LYS  27   7.601  -7.486  -5.616
  213   2HE   LYS  27          1HE       LYS  27   7.310  -6.077  -4.601
  214   1HZ   LYS  27          1HZ       LYS  27   6.546  -5.705  -6.856
  215   2HZ   LYS  27          2HZ       LYS  27   8.093  -6.012  -7.466
  216   3HZ   LYS  27          3HZ       LYS  27   7.824  -4.657  -6.493
  217    H    ASN  28           H        ASN  28  12.449  -1.648  -5.114
  218    HA   ASN  28           HA       ASN  28  13.815  -2.273  -7.559
  219   1HB   ASN  28          2HB       ASN  28  13.979   0.104  -7.900
  220   2HB   ASN  28          1HB       ASN  28  12.377  -0.253  -7.275
  221   1HD2  ASN  28          1HD2      ASN  28  11.795   1.473  -6.161
  222   2HD2  ASN  28          2HD2      ASN  28  12.732   2.244  -4.932
  223    H    GLY  29           H        GLY  29  14.845  -2.325  -4.386
  224   1HA   GLY  29          2HA       GLY  29  17.248  -3.113  -4.306
  225   2HA   GLY  29          1HA       GLY  29  17.609  -1.602  -5.124
  226    H    GLY  30           H        GLY  30  15.309  -0.444  -3.330
  227   1HA   GLY  30          2HA       GLY  30  15.112   0.567  -1.281
  228   2HA   GLY  30          1HA       GLY  30  16.322  -0.552  -0.673
  229    HA   PRO  31           HA       PRO  31  18.554   3.359  -0.235
  230   1HB   PRO  31          2HB       PRO  31  20.591   1.578   0.947
  231   2HB   PRO  31          1HB       PRO  31  19.799   2.997   1.637
  232   1HG   PRO  31          2HG       PRO  31  19.215   0.522   2.477
  233   2HG   PRO  31          1HG       PRO  31  17.975   1.787   2.373
  234   1HD   PRO  31          2HD       PRO  31  18.519  -0.496   0.513
  235   2HD   PRO  31          1HD       PRO  31  16.965   0.165   1.065
  236    H    SER  32           H        SER  32  19.731   0.349  -1.626
  237    HA   SER  32           HA       SER  32  21.996   1.680  -2.880
  238   1HB   SER  32          2HB       SER  32  21.485  -0.953  -2.022
  239   2HB   SER  32          1HB       SER  32  21.590  -1.039  -3.779
  240    HG   SER  32           HG       SER  32  23.656  -0.753  -3.616
  241    H    SER  33           H        SER  33  19.669   2.810  -3.766
  242    HA   SER  33           HA       SER  33  19.616   1.944  -6.570
  243   1HB   SER  33          2HB       SER  33  17.135   2.729  -5.026
  244   2HB   SER  33          1HB       SER  33  17.212   2.201  -6.705
  245    HG   SER  33           HG       SER  33  17.553   0.174  -6.076
  246    H    GLY  34           H        GLY  34  20.589   4.336  -4.706
  247   1HA   GLY  34          2HA       GLY  34  21.000   6.566  -5.046
  248   2HA   GLY  34          1HA       GLY  34  20.530   6.306  -6.718
  249    H    ALA  35           H        ALA  35  18.459   5.781  -3.905
  250    HA   ALA  35           HA       ALA  35  17.050   8.278  -4.293
  251   1HB   ALA  35          1HB       ALA  35  16.078   6.879  -6.047
  252   2HB   ALA  35          2HB       ALA  35  14.894   7.259  -4.797
  253   3HB   ALA  35          3HB       ALA  35  15.648   5.665  -4.842
  254    HA   PRO  36           HA       PRO  36  16.490   7.611   0.057
  255   1HB   PRO  36          2HB       PRO  36  14.596   9.516   0.517
  256   2HB   PRO  36          1HB       PRO  36  16.309   9.880   0.296
  257   1HG   PRO  36          2HG       PRO  36  14.056  10.082  -1.658
  258   2HG   PRO  36          1HG       PRO  36  15.421  11.185  -1.402
  259   1HD   PRO  36          2HD       PRO  36  15.335   9.397  -3.440
  260   2HD   PRO  36          1HD       PRO  36  16.850   9.914  -2.677
  261    HA   PRO  37           HA       PRO  37  12.938   5.026   0.549
  262   1HB   PRO  37          2HB       PRO  37  12.560   5.146   3.223
  263   2HB   PRO  37          1HB       PRO  37  13.936   4.305   2.500
  264   1HG   PRO  37          2HG       PRO  37  13.812   7.050   3.695
  265   2HG   PRO  37          1HG       PRO  37  15.045   5.793   3.910
  266   1HD   PRO  37          2HD       PRO  37  15.368   7.883   2.210
  267   2HD   PRO  37          1HD       PRO  37  16.070   6.279   1.906
  268    HA   PRO  38           HA       PRO  38   9.399   7.725   0.406
  269   1HB   PRO  38          2HB       PRO  38   7.453   5.822   0.660
  270   2HB   PRO  38          1HB       PRO  38   8.329   6.132  -0.844
  271   1HG   PRO  38          2HG       PRO  38   8.784   4.006   1.211
  272   2HG   PRO  38          1HG       PRO  38   8.806   3.877  -0.558
  273   1HD   PRO  38          2HD       PRO  38  11.070   4.018   0.896
  274   2HD   PRO  38          1HD       PRO  38  10.940   4.745  -0.719
  275    H    SER  39           H        SER  39   9.644   5.255   2.945
  276    HA   SER  39           HA       SER  39   7.720   6.486   4.663
  277   1HB   SER  39          2HB       SER  39   9.611   4.195   4.853
  278   2HB   SER  39          1HB       SER  39   9.062   4.911   6.369
  279    HG   SER  39           HG       SER  39   7.626   3.303   5.779
  Start of MODEL    3
    1   1H    HIS   1          1HT       HIS   1 -20.647   4.812   9.051
    2   2H    HIS   1          2HT       HIS   1 -20.986   4.792   7.370
    3   3H    HIS   1          3HT       HIS   1 -22.191   5.294   8.486
    4    HA   HIS   1           HA       HIS   1 -19.641   6.651   7.911
    5   1HB   HIS   1          2HB       HIS   1 -21.973   6.616   6.443
    6   2HB   HIS   1          1HB       HIS   1 -22.202   8.027   7.470
    7    HD1  HIS   1           1HD      HIS   1 -21.319   7.542   4.238
    8    HD2  HIS   1           2HD      HIS   1 -19.275   9.367   7.361
    9    HE1  HIS   1           1HE      HIS   1 -19.659   9.082   3.147
   10    HE2  HIS   1           2HE      HIS   1 -18.371  10.105   5.054
   11    H    GLY   2           H        GLY   2 -18.885   7.569   9.712
   12   1HA   GLY   2          2HA       GLY   2 -20.819   8.850  11.541
   13   2HA   GLY   2          1HA       GLY   2 -19.513   7.853  12.164
   14    H    GLU   3           H        GLU   3 -20.444  10.952  11.683
   15    HA   GLU   3           HA       GLU   3 -17.900  12.066  10.880
   16   1HB   GLU   3          2HB       GLU   3 -20.568  12.973  10.938
   17   2HB   GLU   3          1HB       GLU   3 -19.681  14.006  12.050
   18   1HG   GLU   3          2HG       GLU   3 -18.933  13.484   9.180
   19   2HG   GLU   3          1HG       GLU   3 -19.761  14.919   9.782
   20    H    GLY   4           H        GLY   4 -16.454  13.200  12.157
   21   1HA   GLY   4          2HA       GLY   4 -15.903  14.275  14.269
   22   2HA   GLY   4          1HA       GLY   4 -16.909  13.081  15.074
   23    H    THR   5           H        THR   5 -16.092  10.710  14.154
   24    HA   THR   5           HA       THR   5 -13.217  10.639  14.801
   25    HB   THR   5           HB       THR   5 -14.523   9.674  16.603
   26    HG1  THR   5           1HG      THR   5 -12.679   8.556  16.369
   27   1HG2  THR   5          1HG2      THR   5 -16.101   8.019  16.449
   28   2HG2  THR   5          2HG2      THR   5 -15.537   7.473  14.871
   29   3HG2  THR   5          3HG2      THR   5 -16.452   8.974  15.009
   30    H    PHE   6           H        PHE   6 -13.158  11.008  12.391
   31    HA   PHE   6           HA       PHE   6 -13.575   8.559  10.840
   32   1HB   PHE   6          2HB       PHE   6 -13.235   9.973   8.858
   33   2HB   PHE   6          1HB       PHE   6 -14.505  10.614   9.893
   34    HD1  PHE   6           1HD      PHE   6 -11.052  11.087   8.724
   35    HD2  PHE   6           2HD      PHE   6 -14.276  12.743  10.960
   36    HE1  PHE   6           1HE      PHE   6  -9.902  13.261   8.768
   37    HE2  PHE   6           2HE      PHE   6 -13.130  14.920  11.006
   38    HZ   PHE   6           HZ       PHE   6 -10.941  15.181   9.909
   39    H    THR   7           H        THR   7 -11.047  10.632  12.075
   40    HA   THR   7           HA       THR   7  -8.917   9.763  10.463
   41    HB   THR   7           HB       THR   7  -7.532  10.474  12.532
   42    HG1  THR   7           1HG      THR   7  -9.939  11.693  13.332
   43   1HG2  THR   7          1HG2      THR   7  -7.390  12.512  11.659
   44   2HG2  THR   7          2HG2      THR   7  -9.114  12.825  11.866
   45   3HG2  THR   7          3HG2      THR   7  -8.542  11.927  10.461
   46    H    SER   8           H        SER   8 -10.508   8.257  13.172
   47    HA   SER   8           HA       SER   8  -8.504   6.550  14.086
   48   1HB   SER   8          2HB       SER   8 -10.897   6.965  15.010
   49   2HB   SER   8          1HB       SER   8 -11.371   5.662  13.920
   50    HG   SER   8           HG       SER   8 -10.512   4.280  15.244
   51    H    ASP   9           H        ASP   9 -10.988   5.922  11.624
   52    HA   ASP   9           HA       ASP   9  -9.804   3.406  10.874
   53   1HB   ASP   9          2HB       ASP   9 -12.060   5.029   9.685
   54   2HB   ASP   9          1HB       ASP   9 -11.540   3.473   9.041
   55    H    LEU  10           H        LEU  10  -9.807   6.702   9.655
   56    HA   LEU  10           HA       LEU  10  -8.676   6.230   7.127
   57   1HB   LEU  10          2HB       LEU  10  -9.735   8.362   7.905
   58   2HB   LEU  10          1HB       LEU  10  -8.295   8.674   8.854
   59    HG   LEU  10           HG       LEU  10  -7.061   8.439   6.556
   60   1HD1  LEU  10          1HD1      LEU  10  -9.895   9.031   5.732
   61   2HD1  LEU  10          2HD1      LEU  10  -8.872   7.696   5.202
   62   3HD1  LEU  10          3HD1      LEU  10  -8.490   9.346   4.715
   63   1HD2  LEU  10          1HD2      LEU  10  -7.542  10.889   6.133
   64   2HD2  LEU  10          2HD2      LEU  10  -6.970  10.473   7.749
   65   3HD2  LEU  10          3HD2      LEU  10  -8.681  10.799   7.476
   66    H    SER  11           H        SER  11  -7.189   6.741  10.299
   67    HA   SER  11           HA       SER  11  -4.528   7.005   9.456
   68   1HB   SER  11          2HB       SER  11  -5.853   6.229  12.019
   69   2HB   SER  11          1HB       SER  11  -4.117   5.967  11.855
   70    HG   SER  11           HG       SER  11  -3.786   8.059  11.889
   71    H    LYS  12           H        LYS  12  -6.442   4.136  10.217
   72    HA   LYS  12           HA       LYS  12  -4.359   2.248  10.090
   73   1HB   LYS  12          2HB       LYS  12  -6.991   2.130  10.743
   74   2HB   LYS  12          1HB       LYS  12  -7.022   1.367   9.160
   75   1HG   LYS  12          2HG       LYS  12  -4.909   0.412  10.962
   76   2HG   LYS  12          1HG       LYS  12  -6.559   0.064  11.476
   77   1HD   LYS  12          2HD       LYS  12  -6.965  -1.322   9.706
   78   2HD   LYS  12          1HD       LYS  12  -5.851  -0.463   8.639
   79   1HE   LYS  12          2HE       LYS  12  -4.734  -1.925  10.979
   80   2HE   LYS  12          1HE       LYS  12  -5.287  -2.862   9.591
   81   1HZ   LYS  12          1HZ       LYS  12  -2.921  -2.293   9.465
   82   2HZ   LYS  12          2HZ       LYS  12  -3.311  -0.647   9.463
   83   3HZ   LYS  12          3HZ       LYS  12  -3.797  -1.632   8.176
   84    H    GLN  13           H        GLN  13  -6.576   3.457   7.583
   85    HA   GLN  13           HA       GLN  13  -5.524   1.764   5.532
   86   1HB   GLN  13          2HB       GLN  13  -7.406   4.093   5.596
   87   2HB   GLN  13          1HB       GLN  13  -6.763   3.545   4.055
   88   1HG   GLN  13          2HG       GLN  13  -8.226   1.782   6.004
   89   2HG   GLN  13          1HG       GLN  13  -8.977   2.593   4.632
   90   1HE2  GLN  13          1HE2      GLN  13  -6.924   0.006   5.664
   91   2HE2  GLN  13          2HE2      GLN  13  -6.807  -0.791   4.134
   92    H    MET  14           H        MET  14  -5.016   5.150   6.465
   93    HA   MET  14           HA       MET  14  -3.387   5.931   4.332
   94   1HB   MET  14          2HB       MET  14  -3.694   6.868   7.161
   95   2HB   MET  14          1HB       MET  14  -2.405   7.529   6.163
   96   1HG   MET  14          2HG       MET  14  -4.885   7.563   4.722
   97   2HG   MET  14          1HG       MET  14  -5.075   8.349   6.288
   98   1HE   MET  14          1HE       MET  14  -5.158  10.493   6.359
   99   2HE   MET  14          2HE       MET  14  -5.440  10.967   4.684
  100   3HE   MET  14          3HE       MET  14  -4.140  11.721   5.607
  101    H    GLU  15           H        GLU  15  -2.542   4.416   7.428
  102    HA   GLU  15           HA       GLU  15   0.253   4.507   7.128
  103   1HB   GLU  15          2HB       GLU  15  -1.600   3.447   9.001
  104   2HB   GLU  15          1HB       GLU  15  -0.507   2.144   8.557
  105   1HG   GLU  15          2HG       GLU  15   0.513   4.843   9.364
  106   2HG   GLU  15          1HG       GLU  15   0.111   3.606  10.553
  107    H    GLU  16           H        GLU  16  -2.119   2.012   6.255
  108    HA   GLU  16           HA       GLU  16  -0.328   0.064   5.345
  109   1HB   GLU  16          2HB       GLU  16  -3.201   0.599   5.109
  110   2HB   GLU  16          1HB       GLU  16  -2.537  -0.281   3.740
  111   1HG   GLU  16          2HG       GLU  16  -2.019  -1.141   6.564
  112   2HG   GLU  16          1HG       GLU  16  -3.472  -1.626   5.693
  113    H    GLU  17           H        GLU  17  -1.838   2.778   3.629
  114    HA   GLU  17           HA       GLU  17  -0.924   2.137   1.049
  115   1HB   GLU  17          2HB       GLU  17  -2.577   4.028   2.031
  116   2HB   GLU  17          1HB       GLU  17  -1.139   5.004   1.764
  117   1HG   GLU  17          2HG       GLU  17  -1.119   4.040  -0.590
  118   2HG   GLU  17          1HG       GLU  17  -2.750   3.470  -0.245
  119    H    ALA  18           H        ALA  18   0.542   4.017   3.654
  120    HA   ALA  18           HA       ALA  18   2.752   5.011   2.223
  121   1HB   ALA  18          1HB       ALA  18   3.726   5.511   4.365
  122   2HB   ALA  18          2HB       ALA  18   2.634   4.386   5.170
  123   3HB   ALA  18          3HB       ALA  18   1.997   5.853   4.428
  124    H    VAL  19           H        VAL  19   2.250   1.967   3.957
  125    HA   VAL  19           HA       VAL  19   4.908   1.037   3.936
  126    HB   VAL  19           HB       VAL  19   2.465  -0.731   3.718
  127   1HG1  VAL  19          1HG1      VAL  19   5.111  -1.399   3.735
  128   2HG1  VAL  19          2HG1      VAL  19   3.795  -2.450   4.256
  129   3HG1  VAL  19          3HG1      VAL  19   4.696  -1.512   5.445
  130   1HG2  VAL  19          1HG2      VAL  19   3.018  -0.650   6.380
  131   2HG2  VAL  19          2HG2      VAL  19   1.759   0.298   5.589
  132   3HG2  VAL  19          3HG2      VAL  19   3.335   1.021   5.910
  133    H    ARG  20           H        ARG  20   2.321   0.829   1.529
  134    HA   ARG  20           HA       ARG  20   3.515  -0.980  -0.242
  135   1HB   ARG  20          2HB       ARG  20   1.145  -0.159  -0.330
  136   2HB   ARG  20          1HB       ARG  20   1.746   1.352  -0.997
  137   1HG   ARG  20          2HG       ARG  20   2.687   0.101  -2.903
  138   2HG   ARG  20          1HG       ARG  20   1.982  -1.378  -2.246
  139   1HD   ARG  20          2HD       ARG  20  -0.216   0.094  -2.265
  140   2HD   ARG  20          1HD       ARG  20   0.660   0.961  -3.525
  141    HE   ARG  20           HE       ARG  20   0.362  -0.824  -4.928
  142   1HH1  ARG  20          1HH1      ARG  20  -0.401  -1.833  -1.661
  143   2HH1  ARG  20          2HH1      ARG  20  -1.039  -3.365  -2.154
  144   1HH2  ARG  20          1HH2      ARG  20  -0.477  -2.845  -5.569
  145   2HH2  ARG  20          2HH2      ARG  20  -1.082  -3.940  -4.371
  146    H    LEU  21           H        LEU  21   3.745   2.574  -0.095
  147    HA   LEU  21           HA       LEU  21   5.357   2.902  -2.381
  148   1HB   LEU  21          2HB       LEU  21   4.750   4.549   0.029
  149   2HB   LEU  21          1HB       LEU  21   6.113   5.021  -0.966
  150    HG   LEU  21           HG       LEU  21   4.243   4.746  -2.886
  151   1HD1  LEU  21          1HD1      LEU  21   2.648   5.934  -0.648
  152   2HD1  LEU  21          2HD1      LEU  21   2.597   4.202  -0.979
  153   3HD1  LEU  21          3HD1      LEU  21   2.104   5.352  -2.221
  154   1HD2  LEU  21          1HD2      LEU  21   4.611   7.196  -1.166
  155   2HD2  LEU  21          2HD2      LEU  21   4.016   7.162  -2.826
  156   3HD2  LEU  21          3HD2      LEU  21   5.680   6.694  -2.475
  157    H    PHE  22           H        PHE  22   6.191   2.502   1.044
  158    HA   PHE  22           HA       PHE  22   8.986   2.717   0.762
  159   1HB   PHE  22          2HB       PHE  22   8.019   2.924   2.942
  160   2HB   PHE  22          1HB       PHE  22   7.251   1.345   2.823
  161    HD1  PHE  22           1HD      PHE  22   8.217  -0.404   3.924
  162    HD2  PHE  22           2HD      PHE  22  10.663   2.860   2.707
  163    HE1  PHE  22           1HE      PHE  22  10.150  -1.433   5.052
  164    HE2  PHE  22           2HE      PHE  22  12.598   1.837   3.831
  165    HZ   PHE  22           HZ       PHE  22  12.342  -0.313   5.005
  166    H    ILE  23           H        ILE  23   6.783  -0.052   0.595
  167    HA   ILE  23           HA       ILE  23   8.719  -2.086   0.389
  168    HB   ILE  23           HB       ILE  23   5.856  -1.928  -0.547
  169   1HG1  ILE  23          2HG1      ILE  23   7.021  -3.724   1.569
  170   2HG1  ILE  23          1HG1      ILE  23   6.569  -2.063   1.934
  171   1HG2  ILE  23          1HG2      ILE  23   6.092  -4.471  -0.766
  172   2HG2  ILE  23          2HG2      ILE  23   7.825  -4.167  -0.883
  173   3HG2  ILE  23          3HG2      ILE  23   6.724  -3.469  -2.071
  174   1HD1  ILE  23          1HD1      ILE  23   4.911  -4.419   1.608
  175   2HD1  ILE  23          2HD1      ILE  23   4.344  -3.045   0.657
  176   3HD1  ILE  23          3HD1      ILE  23   4.560  -2.884   2.400
  177    H    GLU  24           H        GLU  24   7.034  -0.165  -2.087
  178    HA   GLU  24           HA       GLU  24   8.074  -1.429  -4.358
  179   1HB   GLU  24          2HB       GLU  24   6.203   0.194  -4.393
  180   2HB   GLU  24          1HB       GLU  24   7.338   1.489  -4.037
  181   1HG   GLU  24          2HG       GLU  24   8.425   1.220  -6.138
  182   2HG   GLU  24          1HG       GLU  24   7.528  -0.259  -6.475
  183    H    TRP  25           H        TRP  25   9.346   1.234  -2.398
  184    HA   TRP  25           HA       TRP  25  11.563   1.844  -4.039
  185   1HB   TRP  25          2HB       TRP  25  10.888   3.462  -2.426
  186   2HB   TRP  25          1HB       TRP  25  10.997   2.302  -1.109
  187    HD1  TRP  25           HD       TRP  25  13.383   4.106  -3.586
  188    HE1  TRP  25           1HE      TRP  25  15.618   4.507  -2.375
  189    HE3  TRP  25           3HE      TRP  25  12.356   1.728   0.822
  190    HZ2  TRP  25           2HZ      TRP  25  16.788   3.898   0.120
  191    HZ3  TRP  25           3HZ      TRP  25  14.089   1.683   2.568
  192    HH2  TRP  25           HH       TRP  25  16.259   2.745   2.222
  193    H    LEU  26           H        LEU  26  11.092  -0.487  -1.427
  194    HA   LEU  26           HA       LEU  26  13.846  -1.223  -1.233
  195   1HB   LEU  26          2HB       LEU  26  11.306  -2.559  -0.312
  196   2HB   LEU  26          1HB       LEU  26  12.892  -3.248  -0.034
  197    HG   LEU  26           HG       LEU  26  11.864  -0.623   1.043
  198   1HD1  LEU  26          1HD1      LEU  26  10.934  -2.209   2.412
  199   2HD1  LEU  26          2HD1      LEU  26  12.482  -1.945   3.214
  200   3HD1  LEU  26          3HD1      LEU  26  12.257  -3.351   2.175
  201   1HD2  LEU  26          1HD2      LEU  26  13.991  -0.445   2.210
  202   2HD2  LEU  26          2HD2      LEU  26  14.241  -0.469   0.463
  203   3HD2  LEU  26          3HD2      LEU  26  14.564  -1.915   1.422
  204    H    LYS  27           H        LYS  27  11.115  -2.296  -3.156
  205    HA   LYS  27           HA       LYS  27  12.194  -4.735  -4.081
  206   1HB   LYS  27          2HB       LYS  27  10.111  -2.869  -5.207
  207   2HB   LYS  27          1HB       LYS  27  10.557  -4.369  -6.007
  208   1HG   LYS  27          2HG       LYS  27  10.072  -5.267  -3.504
  209   2HG   LYS  27          1HG       LYS  27   8.940  -3.916  -3.601
  210   1HD   LYS  27          2HD       LYS  27   7.759  -4.861  -5.357
  211   2HD   LYS  27          1HD       LYS  27   9.109  -5.888  -5.842
  212   1HE   LYS  27          2HE       LYS  27   8.342  -6.537  -3.165
  213   2HE   LYS  27          1HE       LYS  27   6.912  -6.547  -4.194
  214   1HZ   LYS  27          1HZ       LYS  27   8.047  -8.061  -5.698
  215   2HZ   LYS  27          2HZ       LYS  27   7.977  -8.713  -4.139
  216   3HZ   LYS  27          3HZ       LYS  27   9.423  -8.049  -4.713
  217    H    ASN  28           H        ASN  28  12.421  -1.413  -5.315
  218    HA   ASN  28           HA       ASN  28  13.788  -2.139  -7.707
  219   1HB   ASN  28          2HB       ASN  28  14.142   0.225  -8.048
  220   2HB   ASN  28          1HB       ASN  28  12.506  -0.024  -7.461
  221   1HD2  ASN  28          1HD2      ASN  28  12.032   1.767  -6.393
  222   2HD2  ASN  28          2HD2      ASN  28  12.984   2.468  -5.133
  223    H    GLY  29           H        GLY  29  14.814  -1.830  -4.448
  224   1HA   GLY  29          2HA       GLY  29  17.224  -2.921  -4.524
  225   2HA   GLY  29          1HA       GLY  29  17.598  -1.330  -5.165
  226    H    GLY  30           H        GLY  30  15.467  -0.133  -3.372
  227   1HA   GLY  30          2HA       GLY  30  15.243   0.660  -1.225
  228   2HA   GLY  30          1HA       GLY  30  16.304  -0.629  -0.685
  229    HA   PRO  31           HA       PRO  31  18.819   3.040   0.237
  230   1HB   PRO  31          2HB       PRO  31  20.553   0.956   1.426
  231   2HB   PRO  31          1HB       PRO  31  19.896   2.425   2.153
  232   1HG   PRO  31          2HG       PRO  31  18.945   0.008   2.796
  233   2HG   PRO  31          1HG       PRO  31  17.884   1.424   2.684
  234   1HD   PRO  31          2HD       PRO  31  18.263  -0.819   0.742
  235   2HD   PRO  31          1HD       PRO  31  16.776   0.035   1.207
  236    H    SER  32           H        SER  32  19.939  -0.038  -1.129
  237    HA   SER  32           HA       SER  32  22.248   1.319  -2.315
  238   1HB   SER  32          2HB       SER  32  22.142  -1.081  -1.082
  239   2HB   SER  32          1HB       SER  32  21.867  -1.591  -2.747
  240    HG   SER  32           HG       SER  32  24.161  -1.108  -1.677
  241    H    SER  33           H        SER  33  19.779   2.048  -3.395
  242    HA   SER  33           HA       SER  33  19.804   0.712  -6.021
  243   1HB   SER  33          2HB       SER  33  17.651   0.707  -4.584
  244   2HB   SER  33          1HB       SER  33  17.519   2.404  -5.036
  245    HG   SER  33           HG       SER  33  17.512   0.137  -6.726
  246    H    GLY  34           H        GLY  34  19.850   3.820  -4.350
  247   1HA   GLY  34          2HA       GLY  34  21.413   5.380  -5.649
  248   2HA   GLY  34          1HA       GLY  34  20.237   5.184  -6.935
  249    H    ALA  35           H        ALA  35  17.866   5.323  -5.587
  250    HA   ALA  35           HA       ALA  35  17.816   8.142  -4.819
  251   1HB   ALA  35          1HB       ALA  35  15.512   6.286  -5.401
  252   2HB   ALA  35          2HB       ALA  35  16.285   7.345  -6.579
  253   3HB   ALA  35          3HB       ALA  35  15.431   8.035  -5.200
  254    HA   PRO  36           HA       PRO  36  17.156   7.379  -0.518
  255   1HB   PRO  36          2HB       PRO  36  15.569   9.475   0.162
  256   2HB   PRO  36          1HB       PRO  36  17.289   9.653  -0.207
  257   1HG   PRO  36          2HG       PRO  36  14.911  10.162  -1.956
  258   2HG   PRO  36          1HG       PRO  36  16.382  11.132  -1.756
  259   1HD   PRO  36          2HD       PRO  36  16.007   9.464  -3.856
  260   2HD   PRO  36          1HD       PRO  36  17.611   9.789  -3.168
  261    HA   PRO  37           HA       PRO  37  13.360   5.238   0.200
  262   1HB   PRO  37          2HB       PRO  37  12.871   5.725   2.831
  263   2HB   PRO  37          1HB       PRO  37  14.146   4.639   2.269
  264   1HG   PRO  37          2HG       PRO  37  14.345   7.491   3.157
  265   2HG   PRO  37          1HG       PRO  37  15.401   6.120   3.550
  266   1HD   PRO  37          2HD       PRO  37  16.056   7.947   1.675
  267   2HD   PRO  37          1HD       PRO  37  16.517   6.240   1.531
  268    HA   PRO  38           HA       PRO  38  10.019   8.172  -0.015
  269   1HB   PRO  38          2HB       PRO  38   7.984   6.468  -0.287
  270   2HB   PRO  38          1HB       PRO  38   9.240   6.586  -1.524
  271   1HG   PRO  38          2HG       PRO  38   8.824   4.509   0.567
  272   2HG   PRO  38          1HG       PRO  38   9.422   4.330  -1.090
  273   1HD   PRO  38          2HD       PRO  38  10.986   4.465   1.245
  274   2HD   PRO  38          1HD       PRO  38  11.568   4.611  -0.423
  275    H    SER  39           H        SER  39  10.931   7.801   2.670
  276    HA   SER  39           HA       SER  39   8.374   7.705   4.135
  277   1HB   SER  39          2HB       SER  39  11.118   7.073   5.250
  278   2HB   SER  39          1HB       SER  39   9.576   6.922   6.094
  279    HG   SER  39           HG       SER  39   9.077   5.177   4.907
  Start of MODEL    4
    1   1H    HIS   1          1HT       HIS   1 -20.795   4.183  13.127
    2   2H    HIS   1          2HT       HIS   1 -21.220   2.592  12.646
    3   3H    HIS   1          3HT       HIS   1 -20.197   2.834  14.001
    4    HA   HIS   1           HA       HIS   1 -23.053   3.478  13.720
    5   1HB   HIS   1          2HB       HIS   1 -23.302   1.900  15.565
    6   2HB   HIS   1          1HB       HIS   1 -22.459   1.136  14.225
    7    HD1  HIS   1           1HD      HIS   1 -21.907   2.405  17.719
    8    HD2  HIS   1           2HD      HIS   1 -19.868   0.293  14.777
    9    HE1  HIS   1           1HE      HIS   1 -19.856   1.490  18.847
   10    HE2  HIS   1           2HE      HIS   1 -18.688   0.136  17.073
   11    H    GLY   2           H        GLY   2 -20.125   3.948  15.682
   12   1HA   GLY   2          2HA       GLY   2 -21.031   6.480  16.620
   13   2HA   GLY   2          1HA       GLY   2 -21.197   5.257  17.869
   14    H    GLU   3           H        GLU   3 -19.641   7.164  18.634
   15    HA   GLU   3           HA       GLU   3 -17.601   7.598  19.536
   16   1HB   GLU   3          2HB       GLU   3 -17.560   4.823  19.134
   17   2HB   GLU   3          1HB       GLU   3 -16.038   5.405  18.475
   18   1HG   GLU   3          2HG       GLU   3 -16.972   6.240  21.194
   19   2HG   GLU   3          1HG       GLU   3 -16.130   4.713  20.942
   20    H    GLY   4           H        GLY   4 -15.481   8.388  18.959
   21   1HA   GLY   4          2HA       GLY   4 -15.364   9.159  16.132
   22   2HA   GLY   4          1HA       GLY   4 -14.534   9.961  17.457
   23    H    THR   5           H        THR   5 -14.640   6.721  15.965
   24    HA   THR   5           HA       THR   5 -11.770   6.436  16.443
   25    HB   THR   5           HB       THR   5 -12.151   4.074  15.683
   26    HG1  THR   5           1HG      THR   5 -13.918   3.983  14.502
   27   1HG2  THR   5          1HG2      THR   5 -12.372   4.819  18.101
   28   2HG2  THR   5          2HG2      THR   5 -13.133   3.294  17.651
   29   3HG2  THR   5          3HG2      THR   5 -14.115   4.746  17.842
   30    H    PHE   6           H        PHE   6 -12.463   8.348  14.493
   31    HA   PHE   6           HA       PHE   6 -12.140   7.150  11.883
   32   1HB   PHE   6          2HB       PHE   6 -13.054   9.657  12.895
   33   2HB   PHE   6          1HB       PHE   6 -11.722   9.966  11.785
   34    HD1  PHE   6           1HD      PHE   6 -15.163   8.919  12.117
   35    HD2  PHE   6           2HD      PHE   6 -11.864   9.185   9.440
   36    HE1  PHE   6           1HE      PHE   6 -16.690   8.619  10.210
   37    HE2  PHE   6           2HE      PHE   6 -13.385   8.887   7.530
   38    HZ   PHE   6           HZ       PHE   6 -15.802   8.603   7.913
   39    H    THR   7           H        THR   7 -10.148   8.823  14.244
   40    HA   THR   7           HA       THR   7  -7.933   9.393  12.623
   41    HB   THR   7           HB       THR   7  -6.699   9.154  14.931
   42    HG1  THR   7           1HG      THR   7  -7.909   8.701  16.574
   43   1HG2  THR   7          1HG2      THR   7  -7.697  11.306  15.727
   44   2HG2  THR   7          2HG2      THR   7  -8.814  11.206  14.367
   45   3HG2  THR   7          3HG2      THR   7  -7.079  11.323  14.076
   46    H    SER   8           H        SER   8  -8.873   6.458  14.321
   47    HA   SER   8           HA       SER   8  -6.380   5.110  13.872
   48   1HB   SER   8          2HB       SER   8  -9.081   4.071  14.748
   49   2HB   SER   8          1HB       SER   8  -7.610   3.101  14.695
   50    HG   SER   8           HG       SER   8  -8.228   4.174  16.768
   51    H    ASP   9           H        ASP   9  -9.511   5.210  12.253
   52    HA   ASP   9           HA       ASP   9  -8.895   3.067  10.449
   53   1HB   ASP   9          2HB       ASP   9 -11.225   4.201  11.242
   54   2HB   ASP   9          1HB       ASP   9 -11.008   4.984   9.681
   55    H    LEU  10           H        LEU  10  -9.158   6.591  10.082
   56    HA   LEU  10           HA       LEU  10  -8.452   6.716   7.377
   57   1HB   LEU  10          2HB       LEU  10  -9.301   8.537   9.137
   58   2HB   LEU  10          1HB       LEU  10  -7.593   8.926   9.170
   59    HG   LEU  10           HG       LEU  10  -8.814   8.686   6.485
   60   1HD1  LEU  10          1HD1      LEU  10 -10.337  10.018   8.262
   61   2HD1  LEU  10          2HD1      LEU  10 -10.212  10.449   6.556
   62   3HD1  LEU  10          3HD1      LEU  10  -9.246  11.307   7.757
   63   1HD2  LEU  10          1HD2      LEU  10  -7.191  10.182   5.885
   64   2HD2  LEU  10          2HD2      LEU  10  -6.409   9.418   7.267
   65   3HD2  LEU  10          3HD2      LEU  10  -7.193  10.986   7.455
   66    H    SER  11           H        SER  11  -6.428   6.766  10.290
   67    HA   SER  11           HA       SER  11  -3.985   7.331   9.014
   68   1HB   SER  11          2HB       SER  11  -2.910   6.536  11.040
   69   2HB   SER  11          1HB       SER  11  -4.341   7.470  11.475
   70    HG   SER  11           HG       SER  11  -5.317   5.690  12.158
   71    H    LYS  12           H        LYS  12  -5.762   4.334   9.469
   72    HA   LYS  12           HA       LYS  12  -3.716   2.516   8.835
   73   1HB   LYS  12          2HB       LYS  12  -6.490   2.397   9.376
   74   2HB   LYS  12          1HB       LYS  12  -6.245   1.582   7.838
   75   1HG   LYS  12          2HG       LYS  12  -4.381   0.892  10.027
   76   2HG   LYS  12          1HG       LYS  12  -6.050   0.345  10.188
   77   1HD   LYS  12          2HD       LYS  12  -5.245  -1.426   9.016
   78   2HD   LYS  12          1HD       LYS  12  -5.616  -0.374   7.649
   79   1HE   LYS  12          2HE       LYS  12  -3.342   0.323   7.472
   80   2HE   LYS  12          1HE       LYS  12  -2.923  -0.457   8.996
   81   1HZ   LYS  12          1HZ       LYS  12  -3.738  -1.831   6.491
   82   2HZ   LYS  12          2HZ       LYS  12  -3.417  -2.607   7.960
   83   3HZ   LYS  12          3HZ       LYS  12  -2.180  -1.787   7.149
   84    H    GLN  13           H        GLN  13  -6.006   4.276   6.776
   85    HA   GLN  13           HA       GLN  13  -5.284   3.005   4.347
   86   1HB   GLN  13          2HB       GLN  13  -6.738   5.523   5.065
   87   2HB   GLN  13          1HB       GLN  13  -6.244   5.269   3.398
   88   1HG   GLN  13          2HG       GLN  13  -8.420   4.469   3.473
   89   2HG   GLN  13          1HG       GLN  13  -7.430   3.015   3.577
   90   1HE2  GLN  13          1HE2      GLN  13  -7.415   1.824   5.464
   91   2HE2  GLN  13          2HE2      GLN  13  -8.531   2.097   6.752
   92    H    MET  14           H        MET  14  -4.267   6.082   5.830
   93    HA   MET  14           HA       MET  14  -2.481   6.843   3.780
   94   1HB   MET  14          2HB       MET  14  -2.655   7.579   6.699
   95   2HB   MET  14          1HB       MET  14  -1.446   8.271   5.626
   96   1HG   MET  14          2HG       MET  14  -3.429   8.943   4.149
   97   2HG   MET  14          1HG       MET  14  -4.420   8.603   5.566
   98   1HE   MET  14          1HE       MET  14  -3.061  10.826   3.519
   99   2HE   MET  14          2HE       MET  14  -1.898  11.890   4.310
  100   3HE   MET  14          3HE       MET  14  -3.618  12.273   4.360
  101    H    GLU  15           H        GLU  15  -2.056   4.939   6.730
  102    HA   GLU  15           HA       GLU  15   0.756   4.693   6.604
  103   1HB   GLU  15          2HB       GLU  15  -1.437   3.194   7.987
  104   2HB   GLU  15          1HB       GLU  15   0.181   2.509   7.961
  105   1HG   GLU  15          2HG       GLU  15   0.074   5.328   8.747
  106   2HG   GLU  15          1HG       GLU  15  -0.761   4.225   9.842
  107    H    GLU  16           H        GLU  16  -1.887   2.779   5.234
  108    HA   GLU  16           HA       GLU  16  -0.442   0.568   4.348
  109   1HB   GLU  16          2HB       GLU  16  -3.023   1.823   3.690
  110   2HB   GLU  16          1HB       GLU  16  -2.329   0.861   2.393
  111   1HG   GLU  16          2HG       GLU  16  -2.811  -0.116   5.199
  112   2HG   GLU  16          1HG       GLU  16  -3.876  -0.408   3.825
  113    H    GLU  17           H        GLU  17  -0.953   3.718   2.810
  114    HA   GLU  17           HA       GLU  17   0.247   3.110   0.336
  115   1HB   GLU  17          2HB       GLU  17  -1.180   5.145   0.946
  116   2HB   GLU  17          1HB       GLU  17   0.286   5.832   1.628
  117   1HG   GLU  17          2HG       GLU  17  -0.168   6.626  -0.648
  118   2HG   GLU  17          1HG       GLU  17   1.371   5.775  -0.520
  119    H    ALA  18           H        ALA  18   1.580   4.309   3.377
  120    HA   ALA  18           HA       ALA  18   4.191   4.846   2.441
  121   1HB   ALA  18          1HB       ALA  18   3.289   5.725   4.560
  122   2HB   ALA  18          2HB       ALA  18   4.840   4.911   4.770
  123   3HB   ALA  18          3HB       ALA  18   3.348   4.097   5.239
  124    H    VAL  19           H        VAL  19   2.699   1.941   3.830
  125    HA   VAL  19           HA       VAL  19   5.065   0.391   4.010
  126    HB   VAL  19           HB       VAL  19   2.242  -0.625   3.591
  127   1HG1  VAL  19          1HG1      VAL  19   3.680  -2.376   5.218
  128   2HG1  VAL  19          2HG1      VAL  19   4.791  -1.939   3.919
  129   3HG1  VAL  19          3HG1      VAL  19   3.215  -2.625   3.535
  130   1HG2  VAL  19          1HG2      VAL  19   2.684  -0.959   6.227
  131   2HG2  VAL  19          2HG2      VAL  19   1.876   0.451   5.542
  132   3HG2  VAL  19          3HG2      VAL  19   3.590   0.531   5.948
  133    H    ARG  20           H        ARG  20   2.578   0.688   1.484
  134    HA   ARG  20           HA       ARG  20   3.654  -1.212  -0.293
  135   1HB   ARG  20          2HB       ARG  20   1.813   1.136  -0.614
  136   2HB   ARG  20          1HB       ARG  20   2.388   0.268  -2.030
  137   1HG   ARG  20          2HG       ARG  20   1.038  -1.475  -1.662
  138   2HG   ARG  20          1HG       ARG  20   1.340  -1.467   0.075
  139   1HD   ARG  20          2HD       ARG  20  -0.607  -0.470   0.443
  140   2HD   ARG  20          1HD       ARG  20  -0.162   0.861  -0.623
  141    HE   ARG  20           HE       ARG  20  -0.936  -0.887  -2.422
  142   1HH1  ARG  20          1HH1      ARG  20  -2.448  -0.149   0.652
  143   2HH1  ARG  20          2HH1      ARG  20  -4.035  -0.576   0.110
  144   1HH2  ARG  20          1HH2      ARG  20  -3.028  -1.446  -3.125
  145   2HH2  ARG  20          2HH2      ARG  20  -4.365  -1.313  -2.032
  146    H    LEU  21           H        LEU  21   4.196   2.278   0.055
  147    HA   LEU  21           HA       LEU  21   5.876   2.580  -2.199
  148   1HB   LEU  21          2HB       LEU  21   5.168   4.173   0.181
  149   2HB   LEU  21          1HB       LEU  21   6.746   4.520  -0.501
  150    HG   LEU  21           HG       LEU  21   4.332   4.466  -2.274
  151   1HD1  LEU  21          1HD1      LEU  21   3.412   6.094  -1.048
  152   2HD1  LEU  21          2HD1      LEU  21   4.678   7.116  -1.730
  153   3HD1  LEU  21          3HD1      LEU  21   4.897   6.385  -0.141
  154   1HD2  LEU  21          1HD2      LEU  21   5.782   6.309  -3.349
  155   2HD2  LEU  21          2HD2      LEU  21   6.285   4.627  -3.523
  156   3HD2  LEU  21          3HD2      LEU  21   7.076   5.666  -2.337
  157    H    PHE  22           H        PHE  22   6.539   1.926   1.224
  158    HA   PHE  22           HA       PHE  22   9.352   1.934   1.049
  159   1HB   PHE  22          2HB       PHE  22   8.315   2.085   3.207
  160   2HB   PHE  22          1HB       PHE  22   7.452   0.571   2.965
  161    HD1  PHE  22           1HD      PHE  22   8.260  -1.286   4.007
  162    HD2  PHE  22           2HD      PHE  22  10.964   1.847   3.013
  163    HE1  PHE  22           1HE      PHE  22  10.089  -2.514   5.117
  164    HE2  PHE  22           2HE      PHE  22  12.793   0.628   4.117
  165    HZ   PHE  22           HZ       PHE  22  12.358  -1.555   5.168
  166    H    ILE  23           H        ILE  23   6.938  -0.631   0.670
  167    HA   ILE  23           HA       ILE  23   8.702  -2.801   0.381
  168    HB   ILE  23           HB       ILE  23   5.898  -2.343  -0.640
  169   1HG1  ILE  23          2HG1      ILE  23   6.776  -4.389   1.377
  170   2HG1  ILE  23          1HG1      ILE  23   6.556  -2.712   1.861
  171   1HG2  ILE  23          1HG2      ILE  23   6.972  -3.858  -2.202
  172   2HG2  ILE  23          2HG2      ILE  23   5.808  -4.734  -1.206
  173   3HG2  ILE  23          3HG2      ILE  23   7.534  -4.867  -0.868
  174   1HD1  ILE  23          1HD1      ILE  23   4.344  -2.918   1.901
  175   2HD1  ILE  23          2HD1      ILE  23   4.623  -4.655   1.820
  176   3HD1  ILE  23          3HD1      ILE  23   4.302  -3.742   0.344
  177    H    GLU  24           H        GLU  24   7.203  -0.665  -2.051
  178    HA   GLU  24           HA       GLU  24   8.381  -1.863  -4.315
  179   1HB   GLU  24          2HB       GLU  24   6.448  -0.183  -4.224
  180   2HB   GLU  24          1HB       GLU  24   7.683   1.062  -4.096
  181   1HG   GLU  24          2HG       GLU  24   8.599   0.433  -6.234
  182   2HG   GLU  24          1HG       GLU  24   7.471  -0.917  -6.354
  183    H    TRP  25           H        TRP  25   9.453   0.687  -2.133
  184    HA   TRP  25           HA       TRP  25  11.703   1.567  -3.568
  185   1HB   TRP  25          2HB       TRP  25  10.815   2.863  -1.731
  186   2HB   TRP  25          1HB       TRP  25  11.112   1.550  -0.601
  187    HD1  TRP  25           HD       TRP  25  13.127   4.030  -2.793
  188    HE1  TRP  25           1HE      TRP  25  15.358   4.500  -1.605
  189    HE3  TRP  25           3HE      TRP  25  12.659   0.782   1.125
  190    HZ2  TRP  25           2HZ      TRP  25  16.741   3.612   0.689
  191    HZ3  TRP  25           3HZ      TRP  25  14.481   0.655   2.772
  192    HH2  TRP  25           HH       TRP  25  16.479   2.040   2.559
  193    H    LEU  26           H        LEU  26  11.316  -0.983  -1.119
  194    HA   LEU  26           HA       LEU  26  14.063  -1.704  -1.008
  195   1HB   LEU  26          2HB       LEU  26  11.528  -3.118  -0.221
  196   2HB   LEU  26          1HB       LEU  26  13.098  -3.879  -0.052
  197    HG   LEU  26           HG       LEU  26  12.197  -1.344   1.321
  198   1HD1  LEU  26          1HD1      LEU  26  11.137  -3.022   2.483
  199   2HD1  LEU  26          2HD1      LEU  26  12.680  -2.934   3.335
  200   3HD1  LEU  26          3HD1      LEU  26  12.401  -4.205   2.144
  201   1HD2  LEU  26          1HD2      LEU  26  14.585  -1.283   0.790
  202   2HD2  LEU  26          2HD2      LEU  26  14.797  -2.858   1.558
  203   3HD2  LEU  26          3HD2      LEU  26  14.314  -1.465   2.524
  204    H    LYS  27           H        LYS  27  11.287  -2.961  -2.827
  205    HA   LYS  27           HA       LYS  27  12.575  -5.142  -4.037
  206   1HB   LYS  27          2HB       LYS  27  10.064  -3.701  -4.356
  207   2HB   LYS  27          1HB       LYS  27  10.698  -4.265  -5.894
  208   1HG   LYS  27          2HG       LYS  27   9.535  -6.114  -5.346
  209   2HG   LYS  27          1HG       LYS  27  11.015  -6.501  -4.467
  210   1HD   LYS  27          2HD       LYS  27   9.059  -4.859  -2.997
  211   2HD   LYS  27          1HD       LYS  27   8.543  -6.506  -3.363
  212   1HE   LYS  27          2HE       LYS  27   9.805  -7.290  -1.713
  213   2HE   LYS  27          1HE       LYS  27  11.241  -6.581  -2.447
  214   1HZ   LYS  27          1HZ       LYS  27  11.177  -5.591  -0.383
  215   2HZ   LYS  27          2HZ       LYS  27   9.491  -5.470  -0.356
  216   3HZ   LYS  27          3HZ       LYS  27  10.398  -4.429  -1.333
  217    H    ASN  28           H        ASN  28  12.466  -1.728  -4.887
  218    HA   ASN  28           HA       ASN  28  13.600  -2.006  -7.484
  219   1HB   ASN  28          2HB       ASN  28  12.328   0.006  -6.209
  220   2HB   ASN  28          1HB       ASN  28  13.991   0.523  -5.996
  221   1HD2  ASN  28          1HD2      ASN  28  11.350   0.406  -8.092
  222   2HD2  ASN  28          2HD2      ASN  28  12.136   0.996  -9.512
  223    H    GLY  29           H        GLY  29  14.914  -1.954  -4.278
  224   1HA   GLY  29          2HA       GLY  29  17.335  -2.938  -4.601
  225   2HA   GLY  29          1HA       GLY  29  17.607  -1.324  -5.233
  226    H    GLY  30           H        GLY  30  15.475  -0.481  -3.066
  227   1HA   GLY  30          2HA       GLY  30  15.471   0.133  -0.844
  228   2HA   GLY  30          1HA       GLY  30  16.880  -0.890  -0.592
  229    HA   PRO  31           HA       PRO  31  18.673   3.220   0.123
  230   1HB   PRO  31          2HB       PRO  31  21.048   1.531   0.668
  231   2HB   PRO  31          1HB       PRO  31  20.308   2.788   1.662
  232   1HG   PRO  31          2HG       PRO  31  20.044   0.208   2.289
  233   2HG   PRO  31          1HG       PRO  31  18.709   1.350   2.524
  234   1HD   PRO  31          2HD       PRO  31  19.111  -0.679   0.364
  235   2HD   PRO  31          1HD       PRO  31  17.620  -0.208   1.208
  236    H    SER  32           H        SER  32  20.031   0.583  -1.810
  237    HA   SER  32           HA       SER  32  21.634   2.512  -3.333
  238   1HB   SER  32          2HB       SER  32  22.525   0.246  -2.349
  239   2HB   SER  32          1HB       SER  32  21.769  -0.449  -3.782
  240    HG   SER  32           HG       SER  32  23.185   0.558  -5.045
  241    H    SER  33           H        SER  33  18.741   2.399  -3.657
  242    HA   SER  33           HA       SER  33  18.429   1.198  -6.312
  243   1HB   SER  33          2HB       SER  33  16.647   0.685  -4.736
  244   2HB   SER  33          1HB       SER  33  16.374   2.400  -4.435
  245    HG   SER  33           HG       SER  33  15.986   1.027  -6.889
  246    H    GLY  34           H        GLY  34  18.305   4.323  -4.652
  247   1HA   GLY  34          2HA       GLY  34  19.316   5.982  -6.457
  248   2HA   GLY  34          1HA       GLY  34  17.727   5.716  -7.152
  249    H    ALA  35           H        ALA  35  15.952   5.875  -5.315
  250    HA   ALA  35           HA       ALA  35  16.250   8.563  -4.207
  251   1HB   ALA  35          1HB       ALA  35  13.676   7.882  -3.684
  252   2HB   ALA  35          2HB       ALA  35  14.002   6.904  -5.114
  253   3HB   ALA  35          3HB       ALA  35  14.223   8.652  -5.174
  254    HA   PRO  36           HA       PRO  36  16.497   7.334   0.030
  255   1HB   PRO  36          2HB       PRO  36  14.868   9.092   1.300
  256   2HB   PRO  36          1HB       PRO  36  16.420   9.562   0.600
  257   1HG   PRO  36          2HG       PRO  36  13.664   9.887  -0.519
  258   2HG   PRO  36          1HG       PRO  36  15.010  11.043  -0.505
  259   1HD   PRO  36          2HD       PRO  36  14.376   9.563  -2.684
  260   2HD   PRO  36          1HD       PRO  36  16.040  10.056  -2.314
  261    HA   PRO  37           HA       PRO  37  13.227   4.598   1.178
  262   1HB   PRO  37          2HB       PRO  37  13.275   4.694   3.896
  263   2HB   PRO  37          1HB       PRO  37  14.502   3.864   2.936
  264   1HG   PRO  37          2HG       PRO  37  14.596   6.583   4.181
  265   2HG   PRO  37          1HG       PRO  37  15.853   5.334   4.127
  266   1HD   PRO  37          2HD       PRO  37  15.858   7.462   2.462
  267   2HD   PRO  37          1HD       PRO  37  16.467   5.869   1.967
  268    HA   PRO  38           HA       PRO  38   9.747   7.376   1.782
  269   1HB   PRO  38          2HB       PRO  38   7.823   5.657   1.018
  270   2HB   PRO  38          1HB       PRO  38   8.917   6.412  -0.147
  271   1HG   PRO  38          2HG       PRO  38   8.991   3.664   1.022
  272   2HG   PRO  38          1HG       PRO  38   9.306   4.180  -0.643
  273   1HD   PRO  38          2HD       PRO  38  11.267   3.629   1.201
  274   2HD   PRO  38          1HD       PRO  38  11.482   4.707  -0.190
  275    H    SER  39           H        SER  39   8.982   7.830   3.749
  276    HA   SER  39           HA       SER  39   7.896   5.642   5.391
  277   1HB   SER  39          2HB       SER  39   9.618   7.921   6.399
  278   2HB   SER  39          1HB       SER  39   8.833   6.708   7.410
  279    HG   SER  39           HG       SER  39  10.173   5.165   6.611
  Start of MODEL    5
    1   1H    HIS   1          1HT       HIS   1 -25.161   2.091   2.077
    2   2H    HIS   1          2HT       HIS   1 -25.290   3.778   2.369
    3   3H    HIS   1          3HT       HIS   1 -25.803   2.656   3.562
    4    HA   HIS   1           HA       HIS   1 -23.039   2.815   2.575
    5   1HB   HIS   1          2HB       HIS   1 -24.455   4.339   4.750
    6   2HB   HIS   1          1HB       HIS   1 -22.730   4.006   4.865
    7    HD1  HIS   1           1HD      HIS   1 -25.145   6.300   3.356
    8    HD2  HIS   1           2HD      HIS   1 -21.192   5.193   2.702
    9    HE1  HIS   1           1HE      HIS   1 -24.177   8.095   1.882
   10    HE2  HIS   1           2HE      HIS   1 -21.784   7.406   1.502
   11    H    GLY   2           H        GLY   2 -24.996   2.215   5.520
   12   1HA   GLY   2          2HA       GLY   2 -25.183   0.054   6.533
   13   2HA   GLY   2          1HA       GLY   2 -23.658  -0.392   5.785
   14    H    GLU   3           H        GLU   3 -21.836   1.304   6.495
   15    HA   GLU   3           HA       GLU   3 -20.443   2.003   8.141
   16   1HB   GLU   3          2HB       GLU   3 -22.962   2.400   9.768
   17   2HB   GLU   3          1HB       GLU   3 -21.385   3.098  10.104
   18   1HG   GLU   3          2HG       GLU   3 -21.893   4.850   8.863
   19   2HG   GLU   3          1HG       GLU   3 -22.077   3.807   7.454
   20    H    GLY   4           H        GLY   4 -19.484  -0.039   8.368
   21   1HA   GLY   4          2HA       GLY   4 -20.485  -1.712  10.577
   22   2HA   GLY   4          1HA       GLY   4 -19.416  -2.255   9.293
   23    H    THR   5           H        THR   5 -17.251  -2.180   9.597
   24    HA   THR   5           HA       THR   5 -16.280  -0.858  12.049
   25    HB   THR   5           HB       THR   5 -15.041  -3.332  10.846
   26    HG1  THR   5           1HG      THR   5 -16.636  -4.426  11.614
   27   1HG2  THR   5          1HG2      THR   5 -13.486  -2.804  12.361
   28   2HG2  THR   5          2HG2      THR   5 -14.639  -3.472  13.517
   29   3HG2  THR   5          3HG2      THR   5 -14.566  -1.730  13.251
   30    H    PHE   6           H        PHE   6 -16.359   0.570   9.705
   31    HA   PHE   6           HA       PHE   6 -13.791   0.396   8.384
   32   1HB   PHE   6          2HB       PHE   6 -16.325   1.460   7.725
   33   2HB   PHE   6          1HB       PHE   6 -15.200   2.813   7.741
   34    HD1  PHE   6           1HD      PHE   6 -15.860  -0.504   6.267
   35    HD2  PHE   6           2HD      PHE   6 -13.600   3.094   6.030
   36    HE1  PHE   6           1HE      PHE   6 -15.041  -1.168   4.042
   37    HE2  PHE   6           2HE      PHE   6 -12.780   2.439   3.806
   38    HZ   PHE   6           HZ       PHE   6 -13.500   0.305   2.809
   39    H    THR   7           H        THR   7 -15.035   1.999  11.146
   40    HA   THR   7           HA       THR   7 -13.663   4.409  11.155
   41    HB   THR   7           HB       THR   7 -15.350   3.811  12.835
   42    HG1  THR   7           1HG      THR   7 -14.331   5.366  13.796
   43   1HG2  THR   7          1HG2      THR   7 -14.488   1.450  13.196
   44   2HG2  THR   7          2HG2      THR   7 -15.005   2.348  14.623
   45   3HG2  THR   7          3HG2      THR   7 -13.287   2.174  14.265
   46    H    SER   8           H        SER   8 -12.516   1.191  12.043
   47    HA   SER   8           HA       SER   8  -9.879   2.221  12.730
   48   1HB   SER   8          2HB       SER   8 -11.125  -0.523  12.860
   49   2HB   SER   8          1HB       SER   8  -9.405  -0.260  13.144
   50    HG   SER   8           HG       SER   8 -11.067  -0.179  14.983
   51    H    ASP   9           H        ASP   9 -11.476   0.391  10.188
   52    HA   ASP   9           HA       ASP   9  -9.202  -0.513   8.814
   53   1HB   ASP   9          2HB       ASP   9 -11.688  -1.148   8.485
   54   2HB   ASP   9          1HB       ASP   9 -11.756   0.253   7.421
   55    H    LEU  10           H        LEU  10 -11.057   2.482   8.513
   56    HA   LEU  10           HA       LEU  10  -9.751   3.541   6.274
   57   1HB   LEU  10          2HB       LEU  10 -11.835   4.336   7.793
   58   2HB   LEU  10          1HB       LEU  10 -10.609   5.441   8.377
   59    HG   LEU  10           HG       LEU  10 -11.950   6.439   6.591
   60   1HD1  LEU  10          1HD1      LEU  10 -10.172   7.348   5.327
   61   2HD1  LEU  10          2HD1      LEU  10  -9.174   5.912   5.559
   62   3HD1  LEU  10          3HD1      LEU  10  -9.513   6.980   6.921
   63   1HD2  LEU  10          1HD2      LEU  10 -11.026   5.219   4.268
   64   2HD2  LEU  10          2HD2      LEU  10 -12.656   5.129   4.937
   65   3HD2  LEU  10          3HD2      LEU  10 -11.472   3.883   5.328
   66    H    SER  11           H        SER  11  -9.042   3.931   9.741
   67    HA   SER  11           HA       SER  11  -6.876   5.695   9.455
   68   1HB   SER  11          2HB       SER  11  -7.469   3.685  11.638
   69   2HB   SER  11          1HB       SER  11  -6.236   4.939  11.747
   70    HG   SER  11           HG       SER  11  -8.460   5.353  12.635
   71    H    LYS  12           H        LYS  12  -7.023   2.162   9.524
   72    HA   LYS  12           HA       LYS  12  -4.203   1.764   9.455
   73   1HB   LYS  12          2HB       LYS  12  -6.229   0.139  10.048
   74   2HB   LYS  12          1HB       LYS  12  -6.050  -0.299   8.355
   75   1HG   LYS  12          2HG       LYS  12  -4.116  -1.390   8.704
   76   2HG   LYS  12          1HG       LYS  12  -3.552  -0.225   9.905
   77   1HD   LYS  12          2HD       LYS  12  -5.844  -1.975  10.630
   78   2HD   LYS  12          1HD       LYS  12  -4.238  -2.705  10.560
   79   1HE   LYS  12          2HE       LYS  12  -3.400  -1.025  12.124
   80   2HE   LYS  12          1HE       LYS  12  -4.995  -0.275  12.180
   81   1HZ   LYS  12          1HZ       LYS  12  -4.018  -2.614  13.544
   82   2HZ   LYS  12          2HZ       LYS  12  -5.523  -2.850  12.809
   83   3HZ   LYS  12          3HZ       LYS  12  -5.317  -1.602  13.929
   84    H    GLN  13           H        GLN  13  -6.717   1.949   6.966
   85    HA   GLN  13           HA       GLN  13  -5.216   1.105   4.764
   86   1HB   GLN  13          2HB       GLN  13  -7.594   2.908   5.073
   87   2HB   GLN  13          1HB       GLN  13  -6.836   2.716   3.499
   88   1HG   GLN  13          2HG       GLN  13  -7.108   0.131   4.234
   89   2HG   GLN  13          1HG       GLN  13  -8.500   0.851   5.040
   90   1HE2  GLN  13          1HE2      GLN  13  -7.766  -0.796   2.429
   91   2HE2  GLN  13          2HE2      GLN  13  -8.849  -0.109   1.272
   92    H    MET  14           H        MET  14  -5.564   4.334   6.198
   93    HA   MET  14           HA       MET  14  -4.182   5.824   4.292
   94   1HB   MET  14          2HB       MET  14  -4.354   6.202   7.287
   95   2HB   MET  14          1HB       MET  14  -3.687   7.398   6.184
   96   1HG   MET  14          2HG       MET  14  -6.130   6.862   5.070
   97   2HG   MET  14          1HG       MET  14  -6.458   6.745   6.796
   98   1HE   MET  14          1HE       MET  14  -6.133   9.033   8.524
   99   2HE   MET  14          2HE       MET  14  -7.584   8.455   7.706
  100   3HE   MET  14          3HE       MET  14  -7.193  10.174   7.697
  101    H    GLU  15           H        GLU  15  -2.958   3.997   7.073
  102    HA   GLU  15           HA       GLU  15  -0.237   4.771   6.750
  103   1HB   GLU  15          2HB       GLU  15  -1.719   3.369   8.655
  104   2HB   GLU  15          1HB       GLU  15  -0.589   2.182   8.022
  105   1HG   GLU  15          2HG       GLU  15   0.138   4.873   9.159
  106   2HG   GLU  15          1HG       GLU  15   0.292   3.323   9.984
  107    H    GLU  16           H        GLU  16  -2.202   2.143   5.478
  108    HA   GLU  16           HA       GLU  16  -0.221   0.414   4.576
  109   1HB   GLU  16          2HB       GLU  16  -2.947   1.030   3.440
  110   2HB   GLU  16          1HB       GLU  16  -1.923  -0.261   2.831
  111   1HG   GLU  16          2HG       GLU  16  -2.575  -0.152   5.738
  112   2HG   GLU  16          1HG       GLU  16  -3.771  -0.758   4.593
  113    H    GLU  17           H        GLU  17  -1.462   3.376   3.102
  114    HA   GLU  17           HA       GLU  17  -0.321   3.096   0.559
  115   1HB   GLU  17          2HB       GLU  17  -1.238   5.409   2.202
  116   2HB   GLU  17          1HB       GLU  17  -0.284   5.737   0.763
  117   1HG   GLU  17          2HG       GLU  17  -2.432   5.858  -0.042
  118   2HG   GLU  17          1HG       GLU  17  -1.991   4.195  -0.421
  119    H    ALA  18           H        ALA  18   0.986   4.588   3.499
  120    HA   ALA  18           HA       ALA  18   3.438   5.420   2.363
  121   1HB   ALA  18          1HB       ALA  18   3.980   5.013   5.042
  122   2HB   ALA  18          2HB       ALA  18   2.246   5.331   5.013
  123   3HB   ALA  18          3HB       ALA  18   3.369   6.499   4.314
  124    H    VAL  19           H        VAL  19   2.503   2.477   4.123
  125    HA   VAL  19           HA       VAL  19   5.055   1.281   4.221
  126    HB   VAL  19           HB       VAL  19   2.355  -0.087   4.125
  127   1HG1  VAL  19          1HG1      VAL  19   3.623  -1.929   3.903
  128   2HG1  VAL  19          2HG1      VAL  19   3.984  -1.684   5.612
  129   3HG1  VAL  19          3HG1      VAL  19   5.099  -1.091   4.384
  130   1HG2  VAL  19          1HG2      VAL  19   2.926   1.659   5.980
  131   2HG2  VAL  19          2HG2      VAL  19   3.929   0.361   6.626
  132   3HG2  VAL  19          3HG2      VAL  19   2.196   0.114   6.415
  133    H    ARG  20           H        ARG  20   2.500   1.219   1.773
  134    HA   ARG  20           HA       ARG  20   3.577  -0.771   0.106
  135   1HB   ARG  20          2HB       ARG  20   1.256   0.309   0.014
  136   2HB   ARG  20          1HB       ARG  20   2.018   1.615  -0.880
  137   1HG   ARG  20          2HG       ARG  20   1.558   0.433  -2.706
  138   2HG   ARG  20          1HG       ARG  20   2.881  -0.627  -2.216
  139   1HD   ARG  20          2HD       ARG  20   1.376  -2.271  -2.178
  140   2HD   ARG  20          1HD       ARG  20   0.745  -1.523  -0.712
  141    HE   ARG  20           HE       ARG  20  -0.322  -0.483  -3.196
  142   1HH1  ARG  20          1HH1      ARG  20  -0.735  -2.790  -0.593
  143   2HH1  ARG  20          2HH1      ARG  20  -2.433  -2.977  -0.866
  144   1HH2  ARG  20          1HH2      ARG  20  -2.559  -0.739  -3.551
  145   2HH2  ARG  20          2HH2      ARG  20  -3.468  -1.816  -2.544
  146    H    LEU  21           H        LEU  21   4.068   2.755   0.166
  147    HA   LEU  21           HA       LEU  21   5.688   2.909  -2.135
  148   1HB   LEU  21          2HB       LEU  21   4.709   4.696  -0.201
  149   2HB   LEU  21          1HB       LEU  21   6.455   4.849  -0.136
  150    HG   LEU  21           HG       LEU  21   6.218   5.047  -2.756
  151   1HD1  LEU  21          1HD1      LEU  21   4.194   6.089  -3.482
  152   2HD1  LEU  21          2HD1      LEU  21   3.554   6.113  -1.839
  153   3HD1  LEU  21          3HD1      LEU  21   3.772   4.577  -2.679
  154   1HD2  LEU  21          1HD2      LEU  21   6.060   7.005  -0.569
  155   2HD2  LEU  21          2HD2      LEU  21   5.555   7.602  -2.151
  156   3HD2  LEU  21          3HD2      LEU  21   7.165   6.914  -1.941
  157    H    PHE  22           H        PHE  22   6.492   2.521   1.301
  158    HA   PHE  22           HA       PHE  22   9.298   2.507   1.017
  159   1HB   PHE  22          2HB       PHE  22   8.355   2.830   3.194
  160   2HB   PHE  22          1HB       PHE  22   7.456   1.319   3.100
  161    HD1  PHE  22           1HD      PHE  22   8.245  -0.394   4.370
  162    HD2  PHE  22           2HD      PHE  22  11.009   2.446   2.822
  163    HE1  PHE  22           1HE      PHE  22  10.086  -1.563   5.518
  164    HE2  PHE  22           2HE      PHE  22  12.853   1.284   3.963
  165    HZ   PHE  22           HZ       PHE  22  12.394  -0.722   5.313
  166    H    ILE  23           H        ILE  23   6.895  -0.112   0.991
  167    HA   ILE  23           HA       ILE  23   8.685  -2.270   0.765
  168    HB   ILE  23           HB       ILE  23   5.811  -1.954  -0.100
  169   1HG1  ILE  23          2HG1      ILE  23   6.925  -3.732   2.060
  170   2HG1  ILE  23          1HG1      ILE  23   6.565  -2.038   2.365
  171   1HG2  ILE  23          1HG2      ILE  23   7.529  -4.427  -0.242
  172   2HG2  ILE  23          2HG2      ILE  23   6.753  -3.590  -1.587
  173   3HG2  ILE  23          3HG2      ILE  23   5.771  -4.420  -0.380
  174   1HD1  ILE  23          1HD1      ILE  23   4.239  -2.409   1.775
  175   2HD1  ILE  23          2HD1      ILE  23   4.748  -3.492   3.071
  176   3HD1  ILE  23          3HD1      ILE  23   4.591  -4.099   1.422
  177    H    GLU  24           H        GLU  24   7.054  -0.295  -1.696
  178    HA   GLU  24           HA       GLU  24   8.010  -1.683  -3.958
  179   1HB   GLU  24          2HB       GLU  24   6.126  -0.045  -3.964
  180   2HB   GLU  24          1HB       GLU  24   7.294   1.250  -3.753
  181   1HG   GLU  24          2HG       GLU  24   8.373   0.399  -5.898
  182   2HG   GLU  24          1HG       GLU  24   6.897  -0.538  -6.123
  183    H    TRP  25           H        TRP  25   9.291   1.041  -2.105
  184    HA   TRP  25           HA       TRP  25  11.468   1.650  -3.785
  185   1HB   TRP  25          2HB       TRP  25  10.753   3.239  -2.125
  186   2HB   TRP  25          1HB       TRP  25  11.037   2.088  -0.825
  187    HD1  TRP  25           HD       TRP  25  13.037   4.167  -3.407
  188    HE1  TRP  25           1HE      TRP  25  15.364   4.634  -2.414
  189    HE3  TRP  25           3HE      TRP  25  12.656   1.404   0.872
  190    HZ2  TRP  25           2HZ      TRP  25  16.844   3.927  -0.117
  191    HZ3  TRP  25           3HZ      TRP  25  14.574   1.351   2.417
  192    HH2  TRP  25           HH       TRP  25  16.623   2.587   1.929
  193    H    LEU  26           H        LEU  26  11.068  -0.686  -1.172
  194    HA   LEU  26           HA       LEU  26  13.831  -1.406  -1.025
  195   1HB   LEU  26          2HB       LEU  26  11.308  -2.732  -0.049
  196   2HB   LEU  26          1HB       LEU  26  12.892  -3.449   0.176
  197    HG   LEU  26           HG       LEU  26  12.022  -0.767   1.265
  198   1HD1  LEU  26          1HD1      LEU  26  12.484  -2.212   3.439
  199   2HD1  LEU  26          2HD1      LEU  26  12.004  -3.523   2.362
  200   3HD1  LEU  26          3HD1      LEU  26  10.905  -2.176   2.655
  201   1HD2  LEU  26          1HD2      LEU  26  14.413  -0.847   0.781
  202   2HD2  LEU  26          2HD2      LEU  26  14.558  -2.346   1.700
  203   3HD2  LEU  26          3HD2      LEU  26  14.118  -0.847   2.521
  204    H    LYS  27           H        LYS  27  11.048  -2.535  -2.854
  205    HA   LYS  27           HA       LYS  27  12.153  -4.948  -3.813
  206   1HB   LYS  27          2HB       LYS  27   9.852  -3.220  -4.521
  207   2HB   LYS  27          1HB       LYS  27  10.426  -4.305  -5.777
  208   1HG   LYS  27          2HG       LYS  27  10.269  -6.138  -3.986
  209   2HG   LYS  27          1HG       LYS  27   9.282  -4.976  -3.094
  210   1HD   LYS  27          2HD       LYS  27   7.697  -4.856  -4.899
  211   2HD   LYS  27          1HD       LYS  27   8.729  -5.851  -5.927
  212   1HE   LYS  27          2HE       LYS  27   8.436  -7.739  -4.417
  213   2HE   LYS  27          1HE       LYS  27   7.446  -6.747  -3.346
  214   1HZ   LYS  27          1HZ       LYS  27   6.056  -8.114  -4.738
  215   2HZ   LYS  27          2HZ       LYS  27   6.784  -7.509  -6.140
  216   3HZ   LYS  27          3HZ       LYS  27   5.847  -6.490  -5.167
  217    H    ASN  28           H        ASN  28  12.373  -1.614  -4.964
  218    HA   ASN  28           HA       ASN  28  13.611  -2.361  -7.450
  219   1HB   ASN  28          2HB       ASN  28  13.811  -0.007  -7.895
  220   2HB   ASN  28          1HB       ASN  28  12.226  -0.306  -7.196
  221   1HD2  ASN  28          1HD2      ASN  28  11.781   1.580  -6.246
  222   2HD2  ASN  28          2HD2      ASN  28  12.756   2.336  -5.037
  223    H    GLY  29           H        GLY  29  14.805  -2.481  -4.379
  224   1HA   GLY  29          2HA       GLY  29  17.177  -3.242  -4.339
  225   2HA   GLY  29          1HA       GLY  29  17.537  -1.808  -5.283
  226    H    GLY  30           H        GLY  30  15.218  -0.806  -3.167
  227   1HA   GLY  30          2HA       GLY  30  15.260   0.454  -1.254
  228   2HA   GLY  30          1HA       GLY  30  16.511  -0.645  -0.692
  229    HA   PRO  31           HA       PRO  31  18.825   3.250  -0.711
  230   1HB   PRO  31          2HB       PRO  31  20.953   1.511   0.374
  231   2HB   PRO  31          1HB       PRO  31  20.247   2.979   1.055
  232   1HG   PRO  31          2HG       PRO  31  19.721   0.575   2.101
  233   2HG   PRO  31          1HG       PRO  31  18.483   1.843   2.027
  234   1HD   PRO  31          2HD       PRO  31  18.852  -0.550   0.261
  235   2HD   PRO  31          1HD       PRO  31  17.358   0.140   0.928
  236    H    SER  32           H        SER  32  20.016   0.110  -1.845
  237    HA   SER  32           HA       SER  32  22.261   1.025  -3.267
  238   1HB   SER  32          2HB       SER  32  21.023  -1.450  -2.797
  239   2HB   SER  32          1HB       SER  32  21.041  -1.265  -4.550
  240    HG   SER  32           HG       SER  32  23.185  -1.283  -4.551
  241    H    SER  33           H        SER  33  18.863   1.045  -4.083
  242    HA   SER  33           HA       SER  33  18.978   1.184  -6.860
  243   1HB   SER  33          2HB       SER  33  16.933   1.113  -5.233
  244   2HB   SER  33          1HB       SER  33  17.016   2.871  -5.343
  245    HG   SER  33           HG       SER  33  15.770   2.411  -7.022
  246    H    GLY  34           H        GLY  34  19.536   3.714  -4.457
  247   1HA   GLY  34          2HA       GLY  34  21.226   5.382  -5.285
  248   2HA   GLY  34          1HA       GLY  34  20.165   5.574  -6.668
  249    H    ALA  35           H        ALA  35  17.697   5.692  -5.494
  250    HA   ALA  35           HA       ALA  35  17.772   8.340  -4.324
  251   1HB   ALA  35          1HB       ALA  35  15.344   6.661  -4.927
  252   2HB   ALA  35          2HB       ALA  35  16.154   7.680  -6.116
  253   3HB   ALA  35          3HB       ALA  35  15.414   8.407  -4.691
  254    HA   PRO  36           HA       PRO  36  17.243   7.175  -0.094
  255   1HB   PRO  36          2HB       PRO  36  15.719   9.232   0.829
  256   2HB   PRO  36          1HB       PRO  36  17.437   9.396   0.455
  257   1HG   PRO  36          2HG       PRO  36  15.058  10.154  -1.194
  258   2HG   PRO  36          1HG       PRO  36  16.565  11.051  -0.924
  259   1HD   PRO  36          2HD       PRO  36  16.111   9.629  -3.177
  260   2HD   PRO  36          1HD       PRO  36  17.731   9.809  -2.477
  261    HA   PRO  37           HA       PRO  37  13.426   5.033   0.486
  262   1HB   PRO  37          2HB       PRO  37  13.009   5.267   3.172
  263   2HB   PRO  37          1HB       PRO  37  14.217   4.192   2.464
  264   1HG   PRO  37          2HG       PRO  37  14.570   6.924   3.635
  265   2HG   PRO  37          1HG       PRO  37  15.574   5.478   3.850
  266   1HD   PRO  37          2HD       PRO  37  16.270   7.457   2.162
  267   2HD   PRO  37          1HD       PRO  37  16.627   5.754   1.808
  268    HA   PRO  38           HA       PRO  38  10.132   7.997   0.295
  269   1HB   PRO  38          2HB       PRO  38   8.021   6.305   0.596
  270   2HB   PRO  38          1HB       PRO  38   8.957   6.428  -0.898
  271   1HG   PRO  38          2HG       PRO  38   9.153   4.414   1.307
  272   2HG   PRO  38          1HG       PRO  38   9.192   4.159  -0.448
  273   1HD   PRO  38          2HD       PRO  38  11.432   4.186   1.056
  274   2HD   PRO  38          1HD       PRO  38  11.405   4.778  -0.617
  275    H    SER  39           H        SER  39   8.453   8.954   1.553
  276    HA   SER  39           HA       SER  39   7.406   9.676   3.430
  277   1HB   SER  39          2HB       SER  39   8.211   7.029   4.664
  278   2HB   SER  39          1HB       SER  39   7.002   8.147   5.292
  279    HG   SER  39           HG       SER  39   5.616   7.497   3.821
  Start of MODEL    6
    1   1H    HIS   1          1HT       HIS   1 -20.152   5.561  -3.685
    2   2H    HIS   1          2HT       HIS   1 -18.932   6.651  -3.171
    3   3H    HIS   1          3HT       HIS   1 -19.220   6.414  -4.845
    4    HA   HIS   1           HA       HIS   1 -20.144   8.459  -4.197
    5   1HB   HIS   1          2HB       HIS   1 -21.836   6.154  -4.985
    6   2HB   HIS   1          1HB       HIS   1 -22.695   7.611  -4.497
    7    HD1  HIS   1           1HD      HIS   1 -20.282   6.354  -7.099
    8    HD2  HIS   1           2HD      HIS   1 -22.650   9.681  -6.329
    9    HE1  HIS   1           1HE      HIS   1 -20.227   7.721  -9.209
   10    HE2  HIS   1           2HE      HIS   1 -21.734   9.687  -8.748
   11    H    GLY   2           H        GLY   2 -21.976   5.908  -2.472
   12   1HA   GLY   2          2HA       GLY   2 -22.436   7.856  -0.300
   13   2HA   GLY   2          1HA       GLY   2 -23.504   6.516  -0.684
   14    H    GLU   3           H        GLU   3 -19.968   6.562  -0.296
   15    HA   GLU   3           HA       GLU   3 -20.165   5.117   2.217
   16   1HB   GLU   3          2HB       GLU   3 -19.221   3.887  -0.342
   17   2HB   GLU   3          1HB       GLU   3 -18.441   3.424   1.165
   18   1HG   GLU   3          2HG       GLU   3 -21.003   3.139   1.891
   19   2HG   GLU   3          1HG       GLU   3 -21.146   2.819   0.162
   20    H    GLY   4           H        GLY   4 -19.134   6.938   3.093
   21   1HA   GLY   4          2HA       GLY   4 -16.239   6.893   2.789
   22   2HA   GLY   4          1HA       GLY   4 -17.029   8.405   2.359
   23    H    THR   5           H        THR   5 -17.291   6.024   5.011
   24    HA   THR   5           HA       THR   5 -16.739   8.154   6.933
   25    HB   THR   5           HB       THR   5 -18.665   7.236   8.361
   26    HG1  THR   5           1HG      THR   5 -19.807   5.719   7.511
   27   1HG2  THR   5          1HG2      THR   5 -19.544   8.617   5.843
   28   2HG2  THR   5          2HG2      THR   5 -18.735   9.432   7.181
   29   3HG2  THR   5          3HG2      THR   5 -20.305   8.671   7.434
   30    H    PHE   6           H        PHE   6 -14.748   7.089   7.201
   31    HA   PHE   6           HA       PHE   6 -14.862   4.433   8.456
   32   1HB   PHE   6          2HB       PHE   6 -12.376   5.809   7.450
   33   2HB   PHE   6          1HB       PHE   6 -12.599   4.102   7.812
   34    HD1  PHE   6           1HD      PHE   6 -14.350   2.848   6.363
   35    HD2  PHE   6           2HD      PHE   6 -12.554   6.548   5.272
   36    HE1  PHE   6           1HE      PHE   6 -14.907   2.420   4.006
   37    HE2  PHE   6           2HE      PHE   6 -13.107   6.128   2.914
   38    HZ   PHE   6           HZ       PHE   6 -14.286   4.060   2.277
   39    H    THR   7           H        THR   7 -12.868   7.359   8.728
   40    HA   THR   7           HA       THR   7 -12.147   8.584  10.487
   41    HB   THR   7           HB       THR   7 -14.121   6.906  12.029
   42    HG1  THR   7           1HG      THR   7 -14.183   9.574  11.083
   43   1HG2  THR   7          1HG2      THR   7 -13.929   8.851  13.698
   44   2HG2  THR   7          2HG2      THR   7 -12.342   9.112  12.972
   45   3HG2  THR   7          3HG2      THR   7 -12.717   7.569  13.744
   46    H    SER   8           H        SER   8 -12.574   5.237  11.586
   47    HA   SER   8           HA       SER   8  -9.909   5.282  12.775
   48   1HB   SER   8          2HB       SER   8 -12.206   3.334  12.963
   49   2HB   SER   8          1HB       SER   8 -10.612   2.984  13.630
   50    HG   SER   8           HG       SER   8 -12.485   4.931  14.413
   51    H    ASP   9           H        ASP   9 -11.771   3.584  10.305
   52    HA   ASP   9           HA       ASP   9  -9.708   1.761   9.585
   53   1HB   ASP   9          2HB       ASP   9 -12.403   2.409   8.665
   54   2HB   ASP   9          1HB       ASP   9 -11.316   2.011   7.338
   55    H    LEU  10           H        LEU  10 -10.581   5.001   8.556
   56    HA   LEU  10           HA       LEU  10  -9.047   5.110   6.193
   57   1HB   LEU  10          2HB       LEU  10 -10.734   6.835   7.576
   58   2HB   LEU  10          1HB       LEU  10  -9.179   7.642   7.618
   59    HG   LEU  10           HG       LEU  10 -10.299   6.608   5.032
   60   1HD1  LEU  10          1HD1      LEU  10 -10.690   9.459   5.702
   61   2HD1  LEU  10          2HD1      LEU  10 -11.775   8.307   6.478
   62   3HD1  LEU  10          3HD1      LEU  10 -11.673   8.375   4.718
   63   1HD2  LEU  10          1HD2      LEU  10  -8.824   8.168   4.033
   64   2HD2  LEU  10          2HD2      LEU  10  -7.897   7.335   5.282
   65   3HD2  LEU  10          3HD2      LEU  10  -8.507   8.964   5.574
   66    H    SER  11           H        SER  11  -8.255   5.852   9.569
   67    HA   SER  11           HA       SER  11  -5.693   6.922   9.123
   68   1HB   SER  11          2HB       SER  11  -6.815   5.483  11.536
   69   2HB   SER  11          1HB       SER  11  -5.276   6.344  11.522
   70    HG   SER  11           HG       SER  11  -6.727   7.804  12.249
   71    H    LYS  12           H        LYS  12  -6.773   3.609   9.727
   72    HA   LYS  12           HA       LYS  12  -4.175   2.460   9.794
   73   1HB   LYS  12          2HB       LYS  12  -6.506   1.526  10.589
   74   2HB   LYS  12          1HB       LYS  12  -6.576   0.881   8.956
   75   1HG   LYS  12          2HG       LYS  12  -5.220  -0.790   9.486
   76   2HG   LYS  12          1HG       LYS  12  -4.020   0.319  10.153
   77   1HD   LYS  12          2HD       LYS  12  -5.881   0.376  12.112
   78   2HD   LYS  12          1HD       LYS  12  -6.108  -1.266  11.508
   79   1HE   LYS  12          2HE       LYS  12  -3.323  -0.360  11.970
   80   2HE   LYS  12          1HE       LYS  12  -4.320  -0.649  13.394
   81   1HZ   LYS  12          1HZ       LYS  12  -4.851  -2.868  12.222
   82   2HZ   LYS  12          2HZ       LYS  12  -3.364  -2.696  13.009
   83   3HZ   LYS  12          3HZ       LYS  12  -3.449  -2.558  11.326
   84    H    GLN  13           H        GLN  13  -6.607   2.829   7.233
   85    HA   GLN  13           HA       GLN  13  -5.215   1.392   5.240
   86   1HB   GLN  13          2HB       GLN  13  -7.583   3.087   5.393
   87   2HB   GLN  13          1HB       GLN  13  -6.709   3.298   3.881
   88   1HG   GLN  13          2HG       GLN  13  -6.922   0.508   4.504
   89   2HG   GLN  13          1HG       GLN  13  -8.512   1.267   4.559
   90   1HE2  GLN  13          1HE2      GLN  13  -5.590   1.127   2.545
   91   2HE2  GLN  13          2HE2      GLN  13  -6.424   1.181   1.033
   92    H    MET  14           H        MET  14  -5.183   4.803   6.180
   93    HA   MET  14           HA       MET  14  -3.677   5.815   4.046
   94   1HB   MET  14          2HB       MET  14  -4.183   6.687   6.858
   95   2HB   MET  14          1HB       MET  14  -2.919   7.496   5.943
   96   1HG   MET  14          2HG       MET  14  -4.487   8.169   4.260
   97   2HG   MET  14          1HG       MET  14  -5.767   7.227   5.018
   98   1HE   MET  14          1HE       MET  14  -6.552   9.923   4.285
   99   2HE   MET  14          2HE       MET  14  -4.977  10.715   4.376
  100   3HE   MET  14          3HE       MET  14  -6.299  11.260   5.409
  101    H    GLU  15           H        GLU  15  -2.669   4.356   7.114
  102    HA   GLU  15           HA       GLU  15   0.093   4.841   6.873
  103   1HB   GLU  15          2HB       GLU  15  -1.468   2.710   8.332
  104   2HB   GLU  15          1HB       GLU  15   0.284   2.817   8.419
  105   1HG   GLU  15          2HG       GLU  15  -1.297   5.254   9.031
  106   2HG   GLU  15          1HG       GLU  15  -1.276   3.949  10.215
  107    H    GLU  16           H        GLU  16  -1.963   2.228   5.686
  108    HA   GLU  16           HA       GLU  16   0.049   0.479   4.805
  109   1HB   GLU  16          2HB       GLU  16  -2.735   0.904   3.700
  110   2HB   GLU  16          1HB       GLU  16  -1.698  -0.464   3.319
  111   1HG   GLU  16          2HG       GLU  16  -2.245   0.065   6.180
  112   2HG   GLU  16          1HG       GLU  16  -3.572  -0.555   5.198
  113    H    GLU  17           H        GLU  17  -1.468   3.272   3.259
  114    HA   GLU  17           HA       GLU  17  -0.519   2.934   0.660
  115   1HB   GLU  17          2HB       GLU  17  -0.864   5.575   2.089
  116   2HB   GLU  17          1HB       GLU  17  -0.880   5.313   0.351
  117   1HG   GLU  17          2HG       GLU  17  -2.942   4.500   2.373
  118   2HG   GLU  17          1HG       GLU  17  -3.122   5.591   1.003
  119    H    ALA  18           H        ALA  18   0.998   4.519   3.439
  120    HA   ALA  18           HA       ALA  18   3.321   5.395   2.081
  121   1HB   ALA  18          1HB       ALA  18   2.675   6.381   4.193
  122   2HB   ALA  18          2HB       ALA  18   4.283   5.674   4.335
  123   3HB   ALA  18          3HB       ALA  18   2.888   4.835   5.014
  124    H    VAL  19           H        VAL  19   2.528   2.422   3.828
  125    HA   VAL  19           HA       VAL  19   5.099   1.272   3.862
  126    HB   VAL  19           HB       VAL  19   2.471  -0.219   3.683
  127   1HG1  VAL  19          1HG1      VAL  19   5.105  -1.152   3.686
  128   2HG1  VAL  19          2HG1      VAL  19   3.638  -2.093   3.949
  129   3HG1  VAL  19          3HG1      VAL  19   4.511  -1.420   5.324
  130   1HG2  VAL  19          1HG2      VAL  19   1.950   0.551   5.699
  131   2HG2  VAL  19          2HG2      VAL  19   3.422   1.520   5.731
  132   3HG2  VAL  19          3HG2      VAL  19   3.444  -0.134   6.339
  133    H    ARG  20           H        ARG  20   2.509   1.206   1.444
  134    HA   ARG  20           HA       ARG  20   3.555  -0.704  -0.298
  135   1HB   ARG  20          2HB       ARG  20   1.503   1.336  -0.383
  136   2HB   ARG  20          1HB       ARG  20   2.347   1.240  -1.920
  137   1HG   ARG  20          2HG       ARG  20   0.857  -0.366  -2.371
  138   2HG   ARG  20          1HG       ARG  20   1.933  -1.385  -1.414
  139   1HD   ARG  20          2HD       ARG  20  -0.395   0.146  -0.265
  140   2HD   ARG  20          1HD       ARG  20  -0.494  -1.531  -0.798
  141    HE   ARG  20           HE       ARG  20   0.691  -0.546   1.624
  142   1HH1  ARG  20          1HH1      ARG  20   0.725  -3.175  -0.693
  143   2HH1  ARG  20          2HH1      ARG  20   1.368  -4.320   0.435
  144   1HH2  ARG  20          1HH2      ARG  20   1.535  -2.059   3.101
  145   2HH2  ARG  20          2HH2      ARG  20   1.827  -3.687   2.588
  146    H    LEU  21           H        LEU  21   4.143   2.805  -0.150
  147    HA   LEU  21           HA       LEU  21   5.817   2.957  -2.420
  148   1HB   LEU  21          2HB       LEU  21   4.939   4.709  -0.315
  149   2HB   LEU  21          1HB       LEU  21   6.666   4.901  -0.549
  150    HG   LEU  21           HG       LEU  21   5.064   4.902  -3.026
  151   1HD1  LEU  21          1HD1      LEU  21   4.738   7.487  -2.397
  152   2HD1  LEU  21          2HD1      LEU  21   4.527   6.767  -0.801
  153   3HD1  LEU  21          3HD1      LEU  21   3.495   6.262  -2.139
  154   1HD2  LEU  21          1HD2      LEU  21   6.573   6.894  -3.421
  155   2HD2  LEU  21          2HD2      LEU  21   7.376   5.337  -3.220
  156   3HD2  LEU  21          3HD2      LEU  21   7.349   6.493  -1.888
  157    H    PHE  22           H        PHE  22   6.515   2.498   1.025
  158    HA   PHE  22           HA       PHE  22   9.326   2.434   0.822
  159   1HB   PHE  22          2HB       PHE  22   8.315   2.747   2.973
  160   2HB   PHE  22          1HB       PHE  22   7.403   1.249   2.834
  161    HD1  PHE  22           1HD      PHE  22   8.178  -0.607   3.919
  162    HD2  PHE  22           2HD      PHE  22  10.935   2.459   2.868
  163    HE1  PHE  22           1HE      PHE  22   9.967  -1.811   5.110
  164    HE2  PHE  22           2HE      PHE  22  12.727   1.263   4.053
  165    HZ   PHE  22           HZ       PHE  22  12.244  -0.875   5.176
  166    H    ILE  23           H        ILE  23   6.853  -0.090   0.573
  167    HA   ILE  23           HA       ILE  23   8.551  -2.328   0.439
  168    HB   ILE  23           HB       ILE  23   5.786  -1.853  -0.682
  169   1HG1  ILE  23          2HG1      ILE  23   6.515  -3.762   1.515
  170   2HG1  ILE  23          1HG1      ILE  23   6.375  -2.043   1.864
  171   1HG2  ILE  23          1HG2      ILE  23   5.672  -4.339  -0.952
  172   2HG2  ILE  23          2HG2      ILE  23   7.419  -4.385  -0.721
  173   3HG2  ILE  23          3HG2      ILE  23   6.734  -3.522  -2.098
  174   1HD1  ILE  23          1HD1      ILE  23   4.341  -3.798   2.021
  175   2HD1  ILE  23          2HD1      ILE  23   4.127  -3.205   0.374
  176   3HD1  ILE  23          3HD1      ILE  23   4.137  -2.073   1.725
  177    H    GLU  24           H        GLU  24   7.197  -0.258  -2.132
  178    HA   GLU  24           HA       GLU  24   8.336  -1.654  -4.305
  179   1HB   GLU  24          2HB       GLU  24   6.491   0.131  -4.346
  180   2HB   GLU  24          1HB       GLU  24   7.793   1.311  -4.293
  181   1HG   GLU  24          2HG       GLU  24   7.176   1.052  -6.560
  182   2HG   GLU  24          1HG       GLU  24   8.730   0.243  -6.355
  183    H    TRP  25           H        TRP  25   9.499   1.011  -2.302
  184    HA   TRP  25           HA       TRP  25  11.820   1.650  -3.747
  185   1HB   TRP  25          2HB       TRP  25  11.008   3.123  -2.014
  186   2HB   TRP  25          1HB       TRP  25  11.189   1.867  -0.795
  187    HD1  TRP  25           HD       TRP  25  13.437   4.002  -3.127
  188    HE1  TRP  25           1HE      TRP  25  15.675   4.390  -1.920
  189    HE3  TRP  25           3HE      TRP  25  12.610   1.162   1.042
  190    HZ2  TRP  25           2HZ      TRP  25  16.928   3.594   0.481
  191    HZ3  TRP  25           3HZ      TRP  25  14.383   1.027   2.748
  192    HH2  TRP  25           HH       TRP  25  16.496   2.221   2.469
  193    H    LEU  26           H        LEU  26  11.209  -0.746  -1.206
  194    HA   LEU  26           HA       LEU  26  13.904  -1.637  -0.979
  195   1HB   LEU  26          2HB       LEU  26  11.269  -2.880  -0.204
  196   2HB   LEU  26          1HB       LEU  26  12.807  -3.664   0.096
  197    HG   LEU  26           HG       LEU  26  11.949  -0.998   1.226
  198   1HD1  LEU  26          1HD1      LEU  26  10.716  -2.513   2.438
  199   2HD1  LEU  26          2HD1      LEU  26  12.206  -2.451   3.380
  200   3HD1  LEU  26          3HD1      LEU  26  11.917  -3.792   2.272
  201   1HD2  LEU  26          1HD2      LEU  26  14.358  -1.108   0.859
  202   2HD2  LEU  26          2HD2      LEU  26  14.431  -2.640   1.726
  203   3HD2  LEU  26          3HD2      LEU  26  13.979  -1.164   2.579
  204    H    LYS  27           H        LYS  27  11.114  -2.666  -2.895
  205    HA   LYS  27           HA       LYS  27  12.181  -5.046  -3.934
  206   1HB   LYS  27          2HB       LYS  27  10.124  -3.115  -4.999
  207   2HB   LYS  27          1HB       LYS  27  10.552  -4.591  -5.853
  208   1HG   LYS  27          2HG       LYS  27   9.687  -4.693  -2.993
  209   2HG   LYS  27          1HG       LYS  27   8.500  -4.590  -4.294
  210   1HD   LYS  27          2HD       LYS  27   9.600  -6.596  -5.327
  211   2HD   LYS  27          1HD       LYS  27  10.565  -6.741  -3.856
  212   1HE   LYS  27          2HE       LYS  27   8.204  -6.643  -2.697
  213   2HE   LYS  27          1HE       LYS  27   7.650  -7.199  -4.275
  214   1HZ   LYS  27          1HZ       LYS  27   9.646  -8.544  -2.534
  215   2HZ   LYS  27          2HZ       LYS  27   9.230  -9.057  -4.091
  216   3HZ   LYS  27          3HZ       LYS  27   8.071  -9.073  -2.859
  217    H    ASN  28           H        ASN  28  12.552  -1.686  -4.910
  218    HA   ASN  28           HA       ASN  28  13.832  -2.195  -7.400
  219   1HB   ASN  28          2HB       ASN  28  12.749   0.004  -6.231
  220   2HB   ASN  28          1HB       ASN  28  14.456   0.313  -5.968
  221   1HD2  ASN  28          1HD2      ASN  28  11.890   0.320  -8.200
  222   2HD2  ASN  28          2HD2      ASN  28  12.793   0.807  -9.592
  223    H    GLY  29           H        GLY  29  14.883  -2.305  -4.124
  224   1HA   GLY  29          2HA       GLY  29  17.136  -3.565  -4.114
  225   2HA   GLY  29          1HA       GLY  29  17.713  -2.101  -4.895
  226    H    GLY  30           H        GLY  30  15.510  -0.796  -2.984
  227   1HA   GLY  30          2HA       GLY  30  15.431   0.028  -0.827
  228   2HA   GLY  30          1HA       GLY  30  16.768  -1.031  -0.404
  229    HA   PRO  31           HA       PRO  31  18.808   2.992  -0.057
  230   1HB   PRO  31          2HB       PRO  31  21.087   1.255   0.691
  231   2HB   PRO  31          1HB       PRO  31  20.373   2.615   1.562
  232   1HG   PRO  31          2HG       PRO  31  19.994   0.105   2.387
  233   2HG   PRO  31          1HG       PRO  31  18.700   1.315   2.496
  234   1HD   PRO  31          2HD       PRO  31  19.080  -0.884   0.498
  235   2HD   PRO  31          1HD       PRO  31  17.589  -0.320   1.283
  236    H    SER  32           H        SER  32  19.871   0.160  -1.845
  237    HA   SER  32           HA       SER  32  21.798   1.759  -3.359
  238   1HB   SER  32          2HB       SER  32  21.391  -1.155  -2.887
  239   2HB   SER  32          1HB       SER  32  22.127  -0.669  -4.412
  240    HG   SER  32           HG       SER  32  23.066  -0.304  -1.785
  241    H    SER  33           H        SER  33  18.970   2.263  -3.744
  242    HA   SER  33           HA       SER  33  18.460   1.148  -6.409
  243   1HB   SER  33          2HB       SER  33  16.627   2.742  -4.595
  244   2HB   SER  33          1HB       SER  33  16.179   2.060  -6.157
  245    HG   SER  33           HG       SER  33  16.902  -0.013  -5.140
  246    H    GLY  34           H        GLY  34  19.022   4.199  -4.731
  247   1HA   GLY  34          2HA       GLY  34  20.331   5.718  -6.349
  248   2HA   GLY  34          1HA       GLY  34  18.852   5.641  -7.292
  249    H    ALA  35           H        ALA  35  16.976   5.764  -5.239
  250    HA   ALA  35           HA       ALA  35  17.372   8.519  -4.276
  251   1HB   ALA  35          1HB       ALA  35  14.871   8.602  -4.197
  252   2HB   ALA  35          2HB       ALA  35  14.855   7.023  -4.981
  253   3HB   ALA  35          3HB       ALA  35  15.551   8.413  -5.814
  254    HA   PRO  36           HA       PRO  36  17.116   7.289  -0.046
  255   1HB   PRO  36          2HB       PRO  36  15.530   9.240   1.033
  256   2HB   PRO  36          1HB       PRO  36  17.224   9.487   0.594
  257   1HG   PRO  36          2HG       PRO  36  14.750  10.207  -0.925
  258   2HG   PRO  36          1HG       PRO  36  16.233  11.149  -0.690
  259   1HD   PRO  36          2HD       PRO  36  15.741   9.806  -2.972
  260   2HD   PRO  36          1HD       PRO  36  17.382   9.982  -2.320
  261    HA   PRO  37           HA       PRO  37  13.475   4.926   0.767
  262   1HB   PRO  37          2HB       PRO  37  13.243   5.106   3.484
  263   2HB   PRO  37          1HB       PRO  37  14.447   4.100   2.670
  264   1HG   PRO  37          2HG       PRO  37  14.751   6.828   3.867
  265   2HG   PRO  37          1HG       PRO  37  15.841   5.433   3.967
  266   1HD   PRO  37          2HD       PRO  37  16.297   7.479   2.278
  267   2HD   PRO  37          1HD       PRO  37  16.720   5.805   1.862
  268    HA   PRO  38           HA       PRO  38  10.175   7.948   0.908
  269   1HB   PRO  38          2HB       PRO  38   8.121   6.259   0.471
  270   2HB   PRO  38          1HB       PRO  38   9.260   6.703  -0.808
  271   1HG   PRO  38          2HG       PRO  38   9.172   4.236   0.883
  272   2HG   PRO  38          1HG       PRO  38   9.458   4.385  -0.861
  273   1HD   PRO  38          2HD       PRO  38  11.458   4.055   0.960
  274   2HD   PRO  38          1HD       PRO  38  11.672   4.920  -0.576
  275    H    SER  39           H        SER  39   8.431   8.556   2.256
  276    HA   SER  39           HA       SER  39   7.152   8.673   4.132
  277   1HB   SER  39          2HB       SER  39   6.699   6.209   3.618
  278   2HB   SER  39          1HB       SER  39   7.929   5.838   4.824
  279    HG   SER  39           HG       SER  39   6.544   6.289   6.333
  Start of MODEL    7
    1   1H    HIS   1          1HT       HIS   1 -13.867  23.735   8.010
    2   2H    HIS   1          2HT       HIS   1 -14.604  22.859   6.733
    3   3H    HIS   1          3HT       HIS   1 -13.951  22.026   8.085
    4    HA   HIS   1           HA       HIS   1 -15.557  23.259   9.482
    5   1HB   HIS   1          2HB       HIS   1 -16.273  24.176   6.747
    6   2HB   HIS   1          1HB       HIS   1 -17.614  23.818   7.832
    7    HD1  HIS   1           1HD      HIS   1 -14.466  25.949   7.790
    8    HD2  HIS   1           2HD      HIS   1 -18.248  25.856   9.505
    9    HE1  HIS   1           1HE      HIS   1 -14.686  28.113   9.052
   10    HE2  HIS   1           2HE      HIS   1 -16.948  27.994  10.153
   11    H    GLY   2           H        GLY   2 -16.248  21.525   6.427
   12   1HA   GLY   2          2HA       GLY   2 -18.256  19.865   7.609
   13   2HA   GLY   2          1HA       GLY   2 -17.530  19.653   6.022
   14    H    GLU   3           H        GLU   3 -17.430  18.770   9.371
   15    HA   GLU   3           HA       GLU   3 -16.450  17.067  10.500
   16   1HB   GLU   3          2HB       GLU   3 -16.505  16.088   7.707
   17   2HB   GLU   3          1HB       GLU   3 -15.385  15.263   8.783
   18   1HG   GLU   3          2HG       GLU   3 -17.860  15.550  10.141
   19   2HG   GLU   3          1HG       GLU   3 -18.183  14.916   8.527
   20    H    GLY   4           H        GLY   4 -14.784  18.141  11.479
   21   1HA   GLY   4          2HA       GLY   4 -12.288  18.579  10.044
   22   2HA   GLY   4          1HA       GLY   4 -12.661  19.113  11.676
   23    H    THR   5           H        THR   5 -12.476  15.970   9.984
   24    HA   THR   5           HA       THR   5 -10.477  15.084  11.923
   25    HB   THR   5           HB       THR   5 -12.675  14.397  12.822
   26    HG1  THR   5           1HG      THR   5 -11.179  12.980  13.420
   27   1HG2  THR   5          1HG2      THR   5 -13.076  12.318  10.784
   28   2HG2  THR   5          2HG2      THR   5 -13.514  13.961  10.309
   29   3HG2  THR   5          3HG2      THR   5 -14.249  13.230  11.735
   30    H    PHE   6           H        PHE   6  -9.841  15.792   9.415
   31    HA   PHE   6           HA       PHE   6  -9.855  13.454   7.687
   32   1HB   PHE   6          2HB       PHE   6  -9.673  16.257   7.298
   33   2HB   PHE   6          1HB       PHE   6  -8.184  15.547   6.686
   34    HD1  PHE   6           1HD      PHE   6 -11.863  15.467   6.408
   35    HD2  PHE   6           2HD      PHE   6  -8.150  14.331   4.668
   36    HE1  PHE   6           1HE      PHE   6 -13.036  14.801   4.350
   37    HE2  PHE   6           2HE      PHE   6  -9.315  13.663   2.606
   38    HZ   PHE   6           HZ       PHE   6 -11.761  13.899   2.445
   39    H    THR   7           H        THR   7  -8.158  13.938  10.317
   40    HA   THR   7           HA       THR   7  -5.541  13.263   9.177
   41    HB   THR   7           HB       THR   7  -6.174  14.030  12.030
   42    HG1  THR   7           1HG      THR   7  -6.303  15.978  11.304
   43   1HG2  THR   7          1HG2      THR   7  -4.071  12.898  11.902
   44   2HG2  THR   7          2HG2      THR   7  -3.777  14.624  12.115
   45   3HG2  THR   7          3HG2      THR   7  -3.575  13.884  10.526
   46    H    SER   8           H        SER   8  -7.976  12.158  11.483
   47    HA   SER   8           HA       SER   8  -6.560   9.868  12.366
   48   1HB   SER   8          2HB       SER   8  -8.689   9.151  13.337
   49   2HB   SER   8          1HB       SER   8  -8.415  10.863  13.652
   50    HG   SER   8           HG       SER   8  -9.970  11.394  12.239
   51    H    ASP   9           H        ASP   9  -9.177  10.259   9.997
   52    HA   ASP   9           HA       ASP   9  -9.237   7.532   9.225
   53   1HB   ASP   9          2HB       ASP   9 -10.198   9.982   7.729
   54   2HB   ASP   9          1HB       ASP   9 -10.590   8.319   7.305
   55    H    LEU  10           H        LEU  10  -7.629  10.378   7.880
   56    HA   LEU  10           HA       LEU  10  -6.576   9.116   5.587
   57   1HB   LEU  10          2HB       LEU  10  -6.684  11.658   6.387
   58   2HB   LEU  10          1HB       LEU  10  -5.039  11.306   6.879
   59    HG   LEU  10           HG       LEU  10  -5.511  10.391   4.178
   60   1HD1  LEU  10          1HD1      LEU  10  -7.179  12.325   4.400
   61   2HD1  LEU  10          2HD1      LEU  10  -6.036  12.367   3.060
   62   3HD1  LEU  10          3HD1      LEU  10  -5.756  13.361   4.489
   63   1HD2  LEU  10          1HD2      LEU  10  -3.328  10.826   5.306
   64   2HD2  LEU  10          2HD2      LEU  10  -3.684  12.551   5.216
   65   3HD2  LEU  10          3HD2      LEU  10  -3.503  11.608   3.735
   66    H    SER  11           H        SER  11  -5.470   9.293   8.918
   67    HA   SER  11           HA       SER  11  -2.818   8.447   8.542
   68   1HB   SER  11          2HB       SER  11  -4.585   8.896  10.767
   69   2HB   SER  11          1HB       SER  11  -3.711   7.384  11.005
   70    HG   SER  11           HG       SER  11  -2.240   8.740  11.712
   71    H    LYS  12           H        LYS  12  -5.830   6.640   8.886
   72    HA   LYS  12           HA       LYS  12  -4.713   4.075   9.178
   73   1HB   LYS  12          2HB       LYS  12  -7.242   5.078   9.230
   74   2HB   LYS  12          1HB       LYS  12  -7.252   4.243   7.683
   75   1HG   LYS  12          2HG       LYS  12  -8.058   2.711   9.283
   76   2HG   LYS  12          1HG       LYS  12  -6.410   2.208   8.899
   77   1HD   LYS  12          2HD       LYS  12  -5.626   2.724  10.966
   78   2HD   LYS  12          1HD       LYS  12  -6.730   4.086  11.164
   79   1HE   LYS  12          2HE       LYS  12  -8.535   2.649  11.731
   80   2HE   LYS  12          1HE       LYS  12  -7.632   1.216  11.246
   81   1HZ   LYS  12          1HZ       LYS  12  -6.108   1.593  13.078
   82   2HZ   LYS  12          2HZ       LYS  12  -7.695   1.463  13.650
   83   3HZ   LYS  12          3HZ       LYS  12  -6.958   2.983  13.538
   84    H    GLN  13           H        GLN  13  -5.903   5.744   6.253
   85    HA   GLN  13           HA       GLN  13  -5.113   3.664   4.481
   86   1HB   GLN  13          2HB       GLN  13  -5.591   5.270   2.687
   87   2HB   GLN  13          1HB       GLN  13  -6.883   5.223   3.877
   88   1HG   GLN  13          2HG       GLN  13  -6.228   7.302   4.805
   89   2HG   GLN  13          1HG       GLN  13  -4.716   7.303   3.901
   90   1HE2  GLN  13          1HE2      GLN  13  -4.744   7.790   1.694
   91   2HE2  GLN  13          2HE2      GLN  13  -6.094   8.568   0.949
   92    H    MET  14           H        MET  14  -3.559   6.659   5.557
   93    HA   MET  14           HA       MET  14  -1.413   6.634   3.731
   94   1HB   MET  14          2HB       MET  14  -2.110   8.072   6.175
   95   2HB   MET  14          1HB       MET  14  -0.382   7.794   6.027
   96   1HG   MET  14          2HG       MET  14  -1.760   8.796   3.618
   97   2HG   MET  14          1HG       MET  14  -1.634   9.909   4.979
   98   1HE   MET  14          1HE       MET  14  -0.165   7.846   2.379
   99   2HE   MET  14          2HE       MET  14   1.313   7.336   3.195
  100   3HE   MET  14          3HE       MET  14   1.372   8.615   1.983
  101    H    GLU  15           H        GLU  15  -1.849   5.093   6.881
  102    HA   GLU  15           HA       GLU  15   0.791   4.230   7.281
  103   1HB   GLU  15          2HB       GLU  15  -1.883   3.346   8.281
  104   2HB   GLU  15          1HB       GLU  15  -0.492   2.313   8.576
  105   1HG   GLU  15          2HG       GLU  15  -0.393   5.215   9.278
  106   2HG   GLU  15          1HG       GLU  15  -1.185   4.059  10.348
  107    H    GLU  16           H        GLU  16  -1.943   2.681   5.626
  108    HA   GLU  16           HA       GLU  16  -0.509   0.293   4.990
  109   1HB   GLU  16          2HB       GLU  16  -3.026   1.431   3.758
  110   2HB   GLU  16          1HB       GLU  16  -2.419  -0.202   3.511
  111   1HG   GLU  16          2HG       GLU  16  -2.925  -0.851   5.686
  112   2HG   GLU  16          1HG       GLU  16  -3.036   0.813   6.259
  113    H    GLU  17           H        GLU  17  -1.331   3.244   3.193
  114    HA   GLU  17           HA       GLU  17  -0.248   2.492   0.716
  115   1HB   GLU  17          2HB       GLU  17  -0.905   5.100   2.017
  116   2HB   GLU  17          1HB       GLU  17   0.048   5.113   0.539
  117   1HG   GLU  17          2HG       GLU  17  -1.678   4.245  -0.737
  118   2HG   GLU  17          1HG       GLU  17  -2.521   3.591   0.667
  119    H    ALA  18           H        ALA  18   1.221   4.035   3.530
  120    HA   ALA  18           HA       ALA  18   3.709   4.666   2.383
  121   1HB   ALA  18          1HB       ALA  18   4.532   4.694   4.741
  122   2HB   ALA  18          2HB       ALA  18   2.954   4.094   5.244
  123   3HB   ALA  18          3HB       ALA  18   3.089   5.669   4.461
  124    H    VAL  19           H        VAL  19   2.530   1.725   3.978
  125    HA   VAL  19           HA       VAL  19   5.004   0.354   4.053
  126    HB   VAL  19           HB       VAL  19   2.215  -0.816   3.893
  127   1HG1  VAL  19          1HG1      VAL  19   3.421  -2.725   5.137
  128   2HG1  VAL  19          2HG1      VAL  19   4.897  -2.018   4.482
  129   3HG1  VAL  19          3HG1      VAL  19   3.634  -2.591   3.392
  130   1HG2  VAL  19          1HG2      VAL  19   3.347   0.729   5.918
  131   2HG2  VAL  19          2HG2      VAL  19   3.497  -0.936   6.478
  132   3HG2  VAL  19          3HG2      VAL  19   1.915  -0.293   6.036
  133    H    ARG  20           H        ARG  20   2.383   0.444   1.654
  134    HA   ARG  20           HA       ARG  20   3.446  -1.470  -0.117
  135   1HB   ARG  20          2HB       ARG  20   1.657   0.900  -0.701
  136   2HB   ARG  20          1HB       ARG  20   1.963  -0.428  -1.811
  137   1HG   ARG  20          2HG       ARG  20   0.795  -0.866   0.920
  138   2HG   ARG  20          1HG       ARG  20  -0.202  -0.494  -0.488
  139   1HD   ARG  20          2HD       ARG  20   0.615  -2.462  -1.631
  140   2HD   ARG  20          1HD       ARG  20   1.725  -2.807  -0.305
  141    HE   ARG  20           HE       ARG  20  -1.009  -2.679   0.538
  142   1HH1  ARG  20          1HH1      ARG  20   1.411  -4.765  -0.894
  143   2HH1  ARG  20          2HH1      ARG  20   0.640  -6.223  -0.371
  144   1HH2  ARG  20          1HH2      ARG  20  -2.022  -4.605   1.223
  145   2HH2  ARG  20          2HH2      ARG  20  -1.310  -6.133   0.829
  146    H    LEU  21           H        LEU  21   3.805   2.064   0.035
  147    HA   LEU  21           HA       LEU  21   5.391   2.338  -2.286
  148   1HB   LEU  21          2HB       LEU  21   4.354   4.037  -0.283
  149   2HB   LEU  21          1HB       LEU  21   6.090   4.289  -0.286
  150    HG   LEU  21           HG       LEU  21   5.842   4.592  -2.836
  151   1HD1  LEU  21          1HD1      LEU  21   3.421   3.723  -2.692
  152   2HD1  LEU  21          2HD1      LEU  21   3.760   5.111  -3.724
  153   3HD1  LEU  21          3HD1      LEU  21   3.032   5.351  -2.135
  154   1HD2  LEU  21          1HD2      LEU  21   6.151   6.340  -0.911
  155   2HD2  LEU  21          2HD2      LEU  21   4.493   6.779  -1.321
  156   3HD2  LEU  21          3HD2      LEU  21   5.760   6.870  -2.546
  157    H    PHE  22           H        PHE  22   6.208   1.850   1.126
  158    HA   PHE  22           HA       PHE  22   9.012   2.014   0.864
  159   1HB   PHE  22          2HB       PHE  22   8.012   2.174   3.049
  160   2HB   PHE  22          1HB       PHE  22   7.256   0.595   2.879
  161    HD1  PHE  22           1HD      PHE  22   8.251  -1.206   3.882
  162    HD2  PHE  22           2HD      PHE  22  10.642   2.163   2.860
  163    HE1  PHE  22           1HE      PHE  22  10.192  -2.256   4.973
  164    HE2  PHE  22           2HE      PHE  22  12.586   1.119   3.948
  165    HZ   PHE  22           HZ       PHE  22  12.362  -1.093   5.007
  166    H    ILE  23           H        ILE  23   6.734  -0.687   0.624
  167    HA   ILE  23           HA       ILE  23   8.592  -2.782   0.375
  168    HB   ILE  23           HB       ILE  23   5.753  -2.468  -0.593
  169   1HG1  ILE  23          2HG1      ILE  23   6.778  -4.451   1.416
  170   2HG1  ILE  23          1HG1      ILE  23   6.486  -2.781   1.889
  171   1HG2  ILE  23          1HG2      ILE  23   6.778  -3.950  -2.182
  172   2HG2  ILE  23          2HG2      ILE  23   5.773  -4.899  -1.089
  173   3HG2  ILE  23          3HG2      ILE  23   7.526  -4.888  -0.889
  174   1HD1  ILE  23          1HD1      ILE  23   4.623  -4.441   2.304
  175   2HD1  ILE  23          2HD1      ILE  23   4.384  -4.453   0.557
  176   3HD1  ILE  23          3HD1      ILE  23   4.186  -2.954   1.463
  177    H    GLU  24           H        GLU  24   7.005  -0.749  -2.078
  178    HA   GLU  24           HA       GLU  24   8.189  -1.981  -4.333
  179   1HB   GLU  24          2HB       GLU  24   6.159  -0.441  -4.283
  180   2HB   GLU  24          1HB       GLU  24   7.295   0.898  -4.174
  181   1HG   GLU  24          2HG       GLU  24   8.275   0.269  -6.303
  182   2HG   GLU  24          1HG       GLU  24   7.193  -1.118  -6.407
  183    H    TRP  25           H        TRP  25   9.247   0.545  -2.148
  184    HA   TRP  25           HA       TRP  25  11.388   1.509  -3.753
  185   1HB   TRP  25          2HB       TRP  25  10.500   2.930  -2.027
  186   2HB   TRP  25          1HB       TRP  25  10.809   1.715  -0.792
  187    HD1  TRP  25           HD       TRP  25  12.772   4.083  -3.140
  188    HE1  TRP  25           1HE      TRP  25  15.010   4.648  -2.005
  189    HE3  TRP  25           3HE      TRP  25  12.395   1.051   0.954
  190    HZ2  TRP  25           2HZ      TRP  25  16.433   3.907   0.316
  191    HZ3  TRP  25           3HZ      TRP  25  14.240   1.037   2.585
  192    HH2  TRP  25           HH       TRP  25  16.215   2.436   2.270
  193    H    LEU  26           H        LEU  26  11.056  -1.093  -1.423
  194    HA   LEU  26           HA       LEU  26  13.876  -1.542  -1.152
  195   1HB   LEU  26          2HB       LEU  26  11.431  -3.074  -0.320
  196   2HB   LEU  26          1HB       LEU  26  13.037  -3.748  -0.129
  197    HG   LEU  26           HG       LEU  26  11.981  -1.233   1.162
  198   1HD1  LEU  26          1HD1      LEU  26  12.586  -2.638   3.232
  199   2HD1  LEU  26          2HD1      LEU  26  12.541  -4.011   2.128
  200   3HD1  LEU  26          3HD1      LEU  26  11.102  -3.018   2.360
  201   1HD2  LEU  26          1HD2      LEU  26  14.129  -1.086   2.286
  202   2HD2  LEU  26          2HD2      LEU  26  14.348  -1.004   0.538
  203   3HD2  LEU  26          3HD2      LEU  26  14.709  -2.498   1.404
  204    H    LYS  27           H        LYS  27  11.269  -2.956  -3.087
  205    HA   LYS  27           HA       LYS  27  12.758  -5.129  -4.101
  206   1HB   LYS  27          2HB       LYS  27  11.009  -5.353  -5.770
  207   2HB   LYS  27          1HB       LYS  27  10.304  -5.035  -4.192
  208   1HG   LYS  27          2HG       LYS  27   9.657  -2.886  -4.774
  209   2HG   LYS  27          1HG       LYS  27  10.787  -2.804  -6.126
  210   1HD   LYS  27          2HD       LYS  27   8.762  -3.111  -7.200
  211   2HD   LYS  27          1HD       LYS  27   9.380  -4.761  -7.090
  212   1HE   LYS  27          2HE       LYS  27   7.853  -5.372  -5.492
  213   2HE   LYS  27          1HE       LYS  27   7.681  -3.731  -4.874
  214   1HZ   LYS  27          1HZ       LYS  27   6.404  -3.150  -6.828
  215   2HZ   LYS  27          2HZ       LYS  27   5.698  -4.476  -6.051
  216   3HZ   LYS  27          3HZ       LYS  27   6.599  -4.707  -7.463
  217    H    ASN  28           H        ASN  28  12.552  -1.760  -5.099
  218    HA   ASN  28           HA       ASN  28  13.828  -2.220  -7.632
  219   1HB   ASN  28          2HB       ASN  28  13.800   0.166  -7.924
  220   2HB   ASN  28          1HB       ASN  28  12.257  -0.325  -7.238
  221   1HD2  ASN  28          1HD2      ASN  28  11.686   1.528  -6.262
  222   2HD2  ASN  28          2HD2      ASN  28  12.578   2.274  -4.985
  223    H    GLY  29           H        GLY  29  14.978  -2.015  -4.439
  224   1HA   GLY  29          2HA       GLY  29  17.483  -2.693  -4.606
  225   2HA   GLY  29          1HA       GLY  29  17.629  -1.084  -5.291
  226    H    GLY  30           H        GLY  30  15.370  -0.284  -3.302
  227   1HA   GLY  30          2HA       GLY  30  15.215   0.572  -1.182
  228   2HA   GLY  30          1HA       GLY  30  16.459  -0.572  -0.701
  229    HA   PRO  31           HA       PRO  31  18.613   3.345   0.025
  230   1HB   PRO  31          2HB       PRO  31  20.693   1.502   1.036
  231   2HB   PRO  31          1HB       PRO  31  19.902   2.858   1.844
  232   1HG   PRO  31          2HG       PRO  31  19.344   0.330   2.512
  233   2HG   PRO  31          1HG       PRO  31  18.090   1.582   2.502
  234   1HD   PRO  31          2HD       PRO  31  18.651  -0.553   0.478
  235   2HD   PRO  31          1HD       PRO  31  17.092   0.037   1.093
  236    H    SER  32           H        SER  32  19.920   0.438  -1.518
  237    HA   SER  32           HA       SER  32  22.026   1.992  -2.802
  238   1HB   SER  32          2HB       SER  32  22.580  -0.376  -3.733
  239   2HB   SER  32          1HB       SER  32  22.909  -0.027  -2.038
  240    HG   SER  32           HG       SER  32  21.514  -1.497  -1.506
  241    H    SER  33           H        SER  33  19.264   2.495  -3.561
  242    HA   SER  33           HA       SER  33  19.244   1.475  -6.320
  243   1HB   SER  33          2HB       SER  33  17.231   1.086  -4.758
  244   2HB   SER  33          1HB       SER  33  16.897   2.802  -4.978
  245    HG   SER  33           HG       SER  33  15.937   2.188  -6.736
  246    H    GLY  34           H        GLY  34  19.189   4.386  -4.343
  247   1HA   GLY  34          2HA       GLY  34  20.453   6.227  -5.568
  248   2HA   GLY  34          1HA       GLY  34  19.222   6.024  -6.799
  249    H    ALA  35           H        ALA  35  16.945   5.779  -5.300
  250    HA   ALA  35           HA       ALA  35  16.649   8.502  -4.290
  251   1HB   ALA  35          1HB       ALA  35  15.089   7.473  -6.005
  252   2HB   ALA  35          2HB       ALA  35  14.327   8.256  -4.620
  253   3HB   ALA  35          3HB       ALA  35  14.442   6.498  -4.686
  254    HA   PRO  36           HA       PRO  36  16.420   7.343  -0.032
  255   1HB   PRO  36          2HB       PRO  36  14.740   9.216   0.958
  256   2HB   PRO  36          1HB       PRO  36  16.380   9.601   0.421
  257   1HG   PRO  36          2HG       PRO  36  13.780   9.965  -1.017
  258   2HG   PRO  36          1HG       PRO  36  15.157  11.076  -0.899
  259   1HD   PRO  36          2HD       PRO  36  14.709   9.502  -3.068
  260   2HD   PRO  36          1HD       PRO  36  16.336   9.989  -2.549
  261    HA   PRO  37           HA       PRO  37  12.911   4.797   0.804
  262   1HB   PRO  37          2HB       PRO  37  12.651   5.015   3.510
  263   2HB   PRO  37          1HB       PRO  37  13.933   4.084   2.729
  264   1HG   PRO  37          2HG       PRO  37  14.027   6.843   3.881
  265   2HG   PRO  37          1HG       PRO  37  15.219   5.535   4.006
  266   1HD   PRO  37          2HD       PRO  37  15.504   7.601   2.284
  267   2HD   PRO  37          1HD       PRO  37  16.098   5.969   1.918
  268    HA   PRO  38           HA       PRO  38   9.419   7.589   0.831
  269   1HB   PRO  38          2HB       PRO  38   7.476   5.724   0.549
  270   2HB   PRO  38          1HB       PRO  38   8.530   6.206  -0.784
  271   1HG   PRO  38          2HG       PRO  38   8.690   3.806   0.993
  272   2HG   PRO  38          1HG       PRO  38   8.927   3.918  -0.761
  273   1HD   PRO  38          2HD       PRO  38  10.983   3.806   1.017
  274   2HD   PRO  38          1HD       PRO  38  11.095   4.641  -0.543
  275    H    SER  39           H        SER  39   9.523   8.340   2.968
  276    HA   SER  39           HA       SER  39   8.614   8.753   5.012
  277   1HB   SER  39          2HB       SER  39   6.519   7.649   3.862
  278   2HB   SER  39          1HB       SER  39   6.896   6.298   4.931
  279    HG   SER  39           HG       SER  39   5.440   7.790   5.887
  Start of MODEL    8
    1   1H    HIS   1          1HT       HIS   1 -13.262  -0.915  18.425
    2   2H    HIS   1          2HT       HIS   1 -11.782  -1.430  19.122
    3   3H    HIS   1          3HT       HIS   1 -12.845  -2.578  18.417
    4    HA   HIS   1           HA       HIS   1 -11.283  -0.478  17.071
    5   1HB   HIS   1          2HB       HIS   1 -11.295  -3.504  16.927
    6   2HB   HIS   1          1HB       HIS   1 -10.323  -2.456  15.901
    7    HD1  HIS   1           1HD      HIS   1  -9.420  -0.498  18.221
    8    HD2  HIS   1           2HD      HIS   1  -9.204  -4.647  18.305
    9    HE1  HIS   1           1HE      HIS   1  -7.631  -1.043  19.900
   10    HE2  HIS   1           2HE      HIS   1  -7.435  -3.554  19.843
   11    H    GLY   2           H        GLY   2 -11.474  -0.532  14.704
   12   1HA   GLY   2          2HA       GLY   2 -12.826  -1.462  12.817
   13   2HA   GLY   2          1HA       GLY   2 -14.220  -1.237  13.861
   14    H    GLU   3           H        GLU   3 -15.367   0.553  13.551
   15    HA   GLU   3           HA       GLU   3 -14.156   2.731  12.000
   16   1HB   GLU   3          2HB       GLU   3 -16.997   1.850  12.436
   17   2HB   GLU   3          1HB       GLU   3 -16.630   3.453  11.816
   18   1HG   GLU   3          2HG       GLU   3 -15.473   2.483   9.918
   19   2HG   GLU   3          1HG       GLU   3 -15.765   0.863  10.550
   20    H    GLY   4           H        GLY   4 -14.067   4.804  12.717
   21   1HA   GLY   4          2HA       GLY   4 -15.364   5.544  15.225
   22   2HA   GLY   4          1HA       GLY   4 -13.606   5.571  15.217
   23    H    THR   5           H        THR   5 -16.489   6.921  13.685
   24    HA   THR   5           HA       THR   5 -16.924   8.926  12.714
   25    HB   THR   5           HB       THR   5 -14.388   9.981  13.969
   26    HG1  THR   5           1HG      THR   5 -15.233   9.368  15.785
   27   1HG2  THR   5          1HG2      THR   5 -16.246  11.862  14.397
   28   2HG2  THR   5          2HG2      THR   5 -16.844  11.186  12.883
   29   3HG2  THR   5          3HG2      THR   5 -15.203  11.824  12.975
   30    H    PHE   6           H        PHE   6 -15.349   6.956  11.291
   31    HA   PHE   6           HA       PHE   6 -14.234   6.702   9.330
   32   1HB   PHE   6          2HB       PHE   6 -15.800   8.946   9.018
   33   2HB   PHE   6          1HB       PHE   6 -14.206   9.509   8.532
   34    HD1  PHE   6           1HD      PHE   6 -13.440   9.095   6.386
   35    HD2  PHE   6           2HD      PHE   6 -16.631   6.750   7.942
   36    HE1  PHE   6           1HE      PHE   6 -13.736   8.042   4.181
   37    HE2  PHE   6           2HE      PHE   6 -16.934   5.692   5.741
   38    HZ   PHE   6           HZ       PHE   6 -15.484   6.339   3.858
   39    H    THR   7           H        THR   7 -12.849   7.810  11.852
   40    HA   THR   7           HA       THR   7 -10.426   8.863  10.571
   41    HB   THR   7           HB       THR   7 -11.014   8.893  13.526
   42    HG1  THR   7           1HG      THR   7 -12.512  10.278  13.059
   43   1HG2  THR   7          1HG2      THR   7  -9.169  10.095  13.779
   44   2HG2  THR   7          2HG2      THR   7  -9.548  11.120  12.394
   45   3HG2  THR   7          3HG2      THR   7  -8.734   9.575  12.151
   46    H    SER   8           H        SER   8 -11.568   6.468  12.913
   47    HA   SER   8           HA       SER   8  -9.057   5.313  13.473
   48   1HB   SER   8          2HB       SER   8 -11.717   4.923  14.314
   49   2HB   SER   8          1HB       SER   8 -11.176   3.369  13.680
   50    HG   SER   8           HG       SER   8 -10.386   4.724  15.936
   51    H    ASP   9           H        ASP   9 -11.476   4.623  11.001
   52    HA   ASP   9           HA       ASP   9 -10.063   2.302  10.029
   53   1HB   ASP   9          2HB       ASP   9 -12.679   3.160   9.861
   54   2HB   ASP   9          1HB       ASP   9 -12.071   3.458   8.236
   55    H    LEU  10           H        LEU  10 -10.494   5.660   9.030
   56    HA   LEU  10           HA       LEU  10  -9.202   5.466   6.533
   57   1HB   LEU  10          2HB       LEU  10 -10.618   7.386   7.649
   58   2HB   LEU  10          1HB       LEU  10  -9.042   7.971   8.147
   59    HG   LEU  10           HG       LEU  10  -9.368   7.299   5.275
   60   1HD1  LEU  10          1HD1      LEU  10 -10.483   9.862   6.394
   61   2HD1  LEU  10          2HD1      LEU  10 -11.480   8.479   5.944
   62   3HD1  LEU  10          3HD1      LEU  10 -10.514   9.304   4.720
   63   1HD2  LEU  10          1HD2      LEU  10  -7.401   8.434   6.756
   64   2HD2  LEU  10          2HD2      LEU  10  -8.243   9.865   6.159
   65   3HD2  LEU  10          3HD2      LEU  10  -7.609   8.676   5.023
   66    H    SER  11           H        SER  11  -7.966   6.123   9.787
   67    HA   SER  11           HA       SER  11  -5.347   6.837   9.076
   68   1HB   SER  11          2HB       SER  11  -4.758   6.199  11.413
   69   2HB   SER  11          1HB       SER  11  -6.177   7.241  11.322
   70    HG   SER  11           HG       SER  11  -5.967   4.574  12.073
   71    H    LYS  12           H        LYS  12  -6.849   3.688   9.593
   72    HA   LYS  12           HA       LYS  12  -4.495   2.133   9.570
   73   1HB   LYS  12          2HB       LYS  12  -7.140   1.612   9.987
   74   2HB   LYS  12          1HB       LYS  12  -6.905   0.903   8.396
   75   1HG   LYS  12          2HG       LYS  12  -5.413  -0.678   9.172
   76   2HG   LYS  12          1HG       LYS  12  -5.000   0.266  10.604
   77   1HD   LYS  12          2HD       LYS  12  -6.324  -1.445  11.460
   78   2HD   LYS  12          1HD       LYS  12  -7.463  -0.109  11.284
   79   1HE   LYS  12          2HE       LYS  12  -8.461  -1.052   9.397
   80   2HE   LYS  12          1HE       LYS  12  -7.092  -2.120   9.092
   81   1HZ   LYS  12          1HZ       LYS  12  -8.989  -2.353  11.368
   82   2HZ   LYS  12          2HZ       LYS  12  -7.681  -3.383  11.066
   83   3HZ   LYS  12          3HZ       LYS  12  -8.982  -3.330   9.986
   84    H    GLN  13           H        GLN  13  -6.697   3.140   6.977
   85    HA   GLN  13           HA       GLN  13  -5.353   1.736   4.902
   86   1HB   GLN  13          2HB       GLN  13  -7.335   4.004   4.915
   87   2HB   GLN  13          1HB       GLN  13  -6.653   3.377   3.421
   88   1HG   GLN  13          2HG       GLN  13  -7.694   1.277   5.137
   89   2HG   GLN  13          1HG       GLN  13  -8.916   2.468   4.698
   90   1HE2  GLN  13          1HE2      GLN  13  -9.277   2.875   2.434
   91   2HE2  GLN  13          2HE2      GLN  13  -8.964   1.632   1.277
   92    H    MET  14           H        MET  14  -5.170   5.061   6.120
   93    HA   MET  14           HA       MET  14  -3.504   6.150   4.160
   94   1HB   MET  14          2HB       MET  14  -3.942   6.793   7.064
   95   2HB   MET  14          1HB       MET  14  -2.752   7.677   6.117
   96   1HG   MET  14          2HG       MET  14  -5.610   7.416   5.245
   97   2HG   MET  14          1HG       MET  14  -5.071   8.690   6.337
   98   1HE   MET  14          1HE       MET  14  -5.735  10.757   4.737
   99   2HE   MET  14          2HE       MET  14  -4.267  11.384   3.988
  100   3HE   MET  14          3HE       MET  14  -4.235  10.831   5.662
  101    H    GLU  15           H        GLU  15  -2.655   4.541   7.222
  102    HA   GLU  15           HA       GLU  15   0.142   4.800   6.957
  103   1HB   GLU  15          2HB       GLU  15  -1.525   2.789   8.477
  104   2HB   GLU  15          1HB       GLU  15   0.223   2.919   8.619
  105   1HG   GLU  15          2HG       GLU  15  -1.025   5.486   8.994
  106   2HG   GLU  15          1HG       GLU  15  -1.706   4.286  10.093
  107    H    GLU  16           H        GLU  16  -2.132   2.327   5.868
  108    HA   GLU  16           HA       GLU  16  -0.311   0.359   5.075
  109   1HB   GLU  16          2HB       GLU  16  -3.116   0.878   4.777
  110   2HB   GLU  16          1HB       GLU  16  -2.466   0.346   3.232
  111   1HG   GLU  16          2HG       GLU  16  -3.182  -1.599   4.319
  112   2HG   GLU  16          1HG       GLU  16  -1.426  -1.588   4.485
  113    H    GLU  17           H        GLU  17  -1.530   3.197   3.335
  114    HA   GLU  17           HA       GLU  17  -0.460   2.631   0.814
  115   1HB   GLU  17          2HB       GLU  17  -2.084   4.512   1.577
  116   2HB   GLU  17          1HB       GLU  17  -0.619   5.434   1.877
  117   1HG   GLU  17          2HG       GLU  17   0.009   5.345  -0.408
  118   2HG   GLU  17          1HG       GLU  17  -1.242   4.157  -0.771
  119    H    ALA  18           H        ALA  18   0.966   4.292   3.595
  120    HA   ALA  18           HA       ALA  18   3.364   5.095   2.352
  121   1HB   ALA  18          1HB       ALA  18   2.452   5.910   4.561
  122   2HB   ALA  18          2HB       ALA  18   4.183   5.576   4.519
  123   3HB   ALA  18          3HB       ALA  18   3.081   4.424   5.272
  124    H    VAL  19           H        VAL  19   2.456   2.108   4.028
  125    HA   VAL  19           HA       VAL  19   5.026   0.930   4.103
  126    HB   VAL  19           HB       VAL  19   2.412  -0.576   3.885
  127   1HG1  VAL  19          1HG1      VAL  19   4.631  -1.527   5.586
  128   2HG1  VAL  19          2HG1      VAL  19   4.903  -1.587   3.844
  129   3HG1  VAL  19          3HG1      VAL  19   3.523  -2.427   4.551
  130   1HG2  VAL  19          1HG2      VAL  19   3.467   1.091   6.060
  131   2HG2  VAL  19          2HG2      VAL  19   2.967  -0.529   6.546
  132   3HG2  VAL  19          3HG2      VAL  19   1.820   0.544   5.742
  133    H    ARG  20           H        ARG  20   2.418   0.838   1.702
  134    HA   ARG  20           HA       ARG  20   3.528  -1.061  -0.039
  135   1HB   ARG  20          2HB       ARG  20   1.178   0.176   0.007
  136   2HB   ARG  20          1HB       ARG  20   1.974   1.235  -1.149
  137   1HG   ARG  20          2HG       ARG  20   0.999  -0.291  -2.544
  138   2HG   ARG  20          1HG       ARG  20   2.600  -1.004  -2.335
  139   1HD   ARG  20          2HD       ARG  20   1.810  -2.757  -1.136
  140   2HD   ARG  20          1HD       ARG  20   0.552  -1.797  -0.360
  141    HE   ARG  20           HE       ARG  20  -0.894  -2.351  -2.057
  142   1HH1  ARG  20          1HH1      ARG  20   2.347  -3.342  -2.946
  143   2HH1  ARG  20          2HH1      ARG  20   1.826  -4.218  -4.345
  144   1HH2  ARG  20          1HH2      ARG  20  -1.570  -3.500  -3.904
  145   2HH2  ARG  20          2HH2      ARG  20  -0.396  -4.306  -4.890
  146    H    LEU  21           H        LEU  21   3.916   2.465   0.110
  147    HA   LEU  21           HA       LEU  21   5.498   2.724  -2.219
  148   1HB   LEU  21          2HB       LEU  21   4.790   4.402   0.093
  149   2HB   LEU  21          1HB       LEU  21   6.339   4.781  -0.636
  150    HG   LEU  21           HG       LEU  21   3.901   4.541  -2.358
  151   1HD1  LEU  21          1HD1      LEU  21   4.695   6.909  -0.680
  152   2HD1  LEU  21          2HD1      LEU  21   3.152   6.055  -0.688
  153   3HD1  LEU  21          3HD1      LEU  21   3.634   7.018  -2.085
  154   1HD2  LEU  21          1HD2      LEU  21   6.026   6.559  -2.772
  155   2HD2  LEU  21          2HD2      LEU  21   5.151   5.570  -3.942
  156   3HD2  LEU  21          3HD2      LEU  21   6.474   4.869  -3.009
  157    H    PHE  22           H        PHE  22   6.338   2.321   1.207
  158    HA   PHE  22           HA       PHE  22   9.137   2.439   0.897
  159   1HB   PHE  22          2HB       PHE  22   8.212   2.692   3.089
  160   2HB   PHE  22          1HB       PHE  22   7.374   1.149   2.985
  161    HD1  PHE  22           1HD      PHE  22   8.274  -0.625   4.110
  162    HD2  PHE  22           2HD      PHE  22  10.851   2.497   2.802
  163    HE1  PHE  22           1HE      PHE  22  10.172  -1.730   5.222
  164    HE2  PHE  22           2HE      PHE  22  12.753   1.398   3.907
  165    HZ   PHE  22           HZ       PHE  22  12.415  -0.719   5.118
  166    H    ILE  23           H        ILE  23   6.838  -0.256   0.791
  167    HA   ILE  23           HA       ILE  23   8.691  -2.362   0.579
  168    HB   ILE  23           HB       ILE  23   5.831  -2.098  -0.345
  169   1HG1  ILE  23          2HG1      ILE  23   6.898  -3.926   1.789
  170   2HG1  ILE  23          1HG1      ILE  23   6.587  -2.230   2.139
  171   1HG2  ILE  23          1HG2      ILE  23   6.506  -3.722  -1.829
  172   2HG2  ILE  23          2HG2      ILE  23   6.042  -4.701  -0.439
  173   3HG2  ILE  23          3HG2      ILE  23   7.743  -4.354  -0.743
  174   1HD1  ILE  23          1HD1      ILE  23   4.322  -2.472   1.971
  175   2HD1  ILE  23          2HD1      ILE  23   4.774  -4.063   2.580
  176   3HD1  ILE  23          3HD1      ILE  23   4.438  -3.842   0.864
  177    H    GLU  24           H        GLU  24   7.082  -0.385  -1.899
  178    HA   GLU  24           HA       GLU  24   8.119  -1.722  -4.156
  179   1HB   GLU  24          2HB       GLU  24   6.206  -0.101  -4.162
  180   2HB   GLU  24          1HB       GLU  24   7.368   1.200  -3.945
  181   1HG   GLU  24          2HG       GLU  24   8.083   1.112  -6.086
  182   2HG   GLU  24          1HG       GLU  24   7.844  -0.631  -6.213
  183    H    TRP  25           H        TRP  25   9.317   0.972  -2.213
  184    HA   TRP  25           HA       TRP  25  11.495   1.702  -3.825
  185   1HB   TRP  25          2HB       TRP  25  10.755   3.187  -2.095
  186   2HB   TRP  25          1HB       TRP  25  11.014   1.967  -0.855
  187    HD1  TRP  25           HD       TRP  25  13.140   4.044  -3.352
  188    HE1  TRP  25           1HE      TRP  25  15.405   4.537  -2.233
  189    HE3  TRP  25           3HE      TRP  25  12.492   1.410   0.976
  190    HZ2  TRP  25           2HZ      TRP  25  16.739   3.893   0.171
  191    HZ3  TRP  25           3HZ      TRP  25  14.309   1.398   2.635
  192    HH2  TRP  25           HH       TRP  25  16.388   2.614   2.238
  193    H    LEU  26           H        LEU  26  11.183  -0.703  -1.239
  194    HA   LEU  26           HA       LEU  26  13.944  -1.405  -1.181
  195   1HB   LEU  26          2HB       LEU  26  11.468  -2.851  -0.249
  196   2HB   LEU  26          1HB       LEU  26  13.087  -3.482  -0.019
  197    HG   LEU  26           HG       LEU  26  12.015  -0.903   1.130
  198   1HD1  LEU  26          1HD1      LEU  26  11.061  -2.506   2.461
  199   2HD1  LEU  26          2HD1      LEU  26  12.611  -2.293   3.272
  200   3HD1  LEU  26          3HD1      LEU  26  12.364  -3.664   2.192
  201   1HD2  LEU  26          1HD2      LEU  26  14.698  -2.224   1.527
  202   2HD2  LEU  26          2HD2      LEU  26  14.127  -0.752   2.314
  203   3HD2  LEU  26          3HD2      LEU  26  14.405  -0.771   0.569
  204    H    LYS  27           H        LYS  27  11.193  -2.420  -3.090
  205    HA   LYS  27           HA       LYS  27  12.295  -4.810  -4.135
  206   1HB   LYS  27          2HB       LYS  27   9.928  -3.182  -4.559
  207   2HB   LYS  27          1HB       LYS  27  10.550  -3.826  -6.072
  208   1HG   LYS  27          2HG       LYS  27  10.247  -6.033  -5.400
  209   2HG   LYS  27          1HG       LYS  27  10.149  -5.598  -3.692
  210   1HD   LYS  27          2HD       LYS  27   8.080  -4.208  -5.034
  211   2HD   LYS  27          1HD       LYS  27   8.040  -5.879  -5.602
  212   1HE   LYS  27          2HE       LYS  27   8.356  -5.436  -2.687
  213   2HE   LYS  27          1HE       LYS  27   6.782  -5.075  -3.391
  214   1HZ   LYS  27          1HZ       LYS  27   6.999  -7.376  -2.565
  215   2HZ   LYS  27          2HZ       LYS  27   8.202  -7.662  -3.719
  216   3HZ   LYS  27          3HZ       LYS  27   6.626  -7.300  -4.213
  217    H    ASN  28           H        ASN  28  12.398  -1.433  -5.215
  218    HA   ASN  28           HA       ASN  28  13.698  -2.046  -7.689
  219   1HB   ASN  28          2HB       ASN  28  13.906   0.337  -8.002
  220   2HB   ASN  28          1HB       ASN  28  12.307  -0.009  -7.358
  221   1HD2  ASN  28          1HD2      ASN  28  11.772   1.732  -6.229
  222   2HD2  ASN  28          2HD2      ASN  28  12.738   2.464  -4.998
  223    H    GLY  29           H        GLY  29  14.818  -1.996  -4.504
  224   1HA   GLY  29          2HA       GLY  29  17.254  -2.865  -4.629
  225   2HA   GLY  29          1HA       GLY  29  17.552  -1.272  -5.303
  226    H    GLY  30           H        GLY  30  15.324  -0.304  -3.339
  227   1HA   GLY  30          2HA       GLY  30  15.213   0.562  -1.223
  228   2HA   GLY  30          1HA       GLY  30  16.341  -0.689  -0.727
  229    HA   PRO  31           HA       PRO  31  18.819   3.019   0.068
  230   1HB   PRO  31          2HB       PRO  31  20.699   0.987   1.109
  231   2HB   PRO  31          1HB       PRO  31  20.024   2.410   1.907
  232   1HG   PRO  31          2HG       PRO  31  19.216  -0.053   2.557
  233   2HG   PRO  31          1HG       PRO  31  18.082   1.309   2.520
  234   1HD   PRO  31          2HD       PRO  31  18.494  -0.868   0.504
  235   2HD   PRO  31          1HD       PRO  31  16.981  -0.138   1.085
  236    H    SER  32           H        SER  32  19.878   0.025  -1.494
  237    HA   SER  32           HA       SER  32  22.121   1.436  -2.744
  238   1HB   SER  32          2HB       SER  32  22.270  -0.905  -1.603
  239   2HB   SER  32          1HB       SER  32  21.567  -1.492  -3.109
  240    HG   SER  32           HG       SER  32  24.047  -1.165  -2.737
  241    H    SER  33           H        SER  33  19.544   2.179  -3.636
  242    HA   SER  33           HA       SER  33  19.456   0.984  -6.327
  243   1HB   SER  33          2HB       SER  33  17.378   0.725  -4.977
  244   2HB   SER  33          1HB       SER  33  17.235   2.482  -4.924
  245    HG   SER  33           HG       SER  33  16.350   0.881  -6.795
  246    H    GLY  34           H        GLY  34  19.605   4.001  -4.517
  247   1HA   GLY  34          2HA       GLY  34  21.049   5.637  -5.860
  248   2HA   GLY  34          1HA       GLY  34  19.768   5.496  -7.051
  249    H    ALA  35           H        ALA  35  17.527   5.526  -5.456
  250    HA   ALA  35           HA       ALA  35  17.553   8.303  -4.522
  251   1HB   ALA  35          1HB       ALA  35  14.934   7.601  -4.497
  252   2HB   ALA  35          2HB       ALA  35  15.553   6.549  -5.769
  253   3HB   ALA  35          3HB       ALA  35  15.766   8.296  -5.886
  254    HA   PRO  36           HA       PRO  36  17.060   7.239  -0.260
  255   1HB   PRO  36          2HB       PRO  36  15.516   9.273   0.639
  256   2HB   PRO  36          1HB       PRO  36  17.208   9.493   0.181
  257   1HG   PRO  36          2HG       PRO  36  14.728  10.083  -1.391
  258   2HG   PRO  36          1HG       PRO  36  16.195  11.062  -1.207
  259   1HD   PRO  36          2HD       PRO  36  15.728   9.530  -3.391
  260   2HD   PRO  36          1HD       PRO  36  17.363   9.838  -2.771
  261    HA   PRO  37           HA       PRO  37  13.298   5.055   0.507
  262   1HB   PRO  37          2HB       PRO  37  12.864   5.463   3.167
  263   2HB   PRO  37          1HB       PRO  37  14.114   4.385   2.538
  264   1HG   PRO  37          2HG       PRO  37  14.359   7.200   3.525
  265   2HG   PRO  37          1HG       PRO  37  15.418   5.809   3.830
  266   1HD   PRO  37          2HD       PRO  37  16.031   7.709   2.014
  267   2HD   PRO  37          1HD       PRO  37  16.475   6.004   1.786
  268    HA   PRO  38           HA       PRO  38   9.938   7.946   0.201
  269   1HB   PRO  38          2HB       PRO  38   7.886   6.210   0.195
  270   2HB   PRO  38          1HB       PRO  38   9.017   6.321  -1.159
  271   1HG   PRO  38          2HG       PRO  38   8.941   4.348   1.092
  272   2HG   PRO  38          1HG       PRO  38   9.193   4.058  -0.640
  273   1HD   PRO  38          2HD       PRO  38  11.229   4.179   1.168
  274   2HD   PRO  38          1HD       PRO  38  11.413   4.629  -0.538
  275    H    SER  39           H        SER  39  10.323   5.807   2.917
  276    HA   SER  39           HA       SER  39   9.821   6.090   5.120
  277   1HB   SER  39          2HB       SER  39   9.848   8.636   4.405
  278   2HB   SER  39          1HB       SER  39   8.105   8.494   4.632
  279    HG   SER  39           HG       SER  39   9.501   9.109   6.513
  Start of MODEL    9
    1   1H    HIS   1          1HT       HIS   1 -23.980  12.125  -0.856
    2   2H    HIS   1          2HT       HIS   1 -23.846  13.731  -1.444
    3   3H    HIS   1          3HT       HIS   1 -25.189  12.760  -1.890
    4    HA   HIS   1           HA       HIS   1 -25.899  14.281  -0.292
    5   1HB   HIS   1          2HB       HIS   1 -26.759  12.738   1.379
    6   2HB   HIS   1          1HB       HIS   1 -26.748  11.953  -0.197
    7    HD1  HIS   1           1HD      HIS   1 -24.999  10.035  -0.545
    8    HD2  HIS   1           2HD      HIS   1 -25.156  11.571   3.311
    9    HE1  HIS   1           1HE      HIS   1 -23.754   8.384   0.887
   10    HE2  HIS   1           2HE      HIS   1 -23.943   9.289   3.230
   11    H    GLY   2           H        GLY   2 -23.029  12.513   0.846
   12   1HA   GLY   2          2HA       GLY   2 -21.740  14.643   2.002
   13   2HA   GLY   2          1HA       GLY   2 -22.786  14.020   3.266
   14    H    GLU   3           H        GLU   3 -20.729  13.659   4.385
   15    HA   GLU   3           HA       GLU   3 -19.602  11.038   3.664
   16   1HB   GLU   3          2HB       GLU   3 -18.148  13.576   4.326
   17   2HB   GLU   3          1HB       GLU   3 -17.427  12.025   4.736
   18   1HG   GLU   3          2HG       GLU   3 -17.728  11.379   2.319
   19   2HG   GLU   3          1HG       GLU   3 -18.143  13.064   2.012
   20    H    GLY   4           H        GLY   4 -18.791   9.794   5.437
   21   1HA   GLY   4          2HA       GLY   4 -19.886  10.637   8.052
   22   2HA   GLY   4          1HA       GLY   4 -19.930   8.975   7.480
   23    H    THR   5           H        THR   5 -17.644  11.600   8.205
   24    HA   THR   5           HA       THR   5 -15.609  11.627   9.199
   25    HB   THR   5           HB       THR   5 -16.257   8.859  10.226
   26    HG1  THR   5           1HG      THR   5 -17.868   9.877  11.127
   27   1HG2  THR   5          1HG2      THR   5 -14.524  11.038  11.364
   28   2HG2  THR   5          2HG2      THR   5 -13.970   9.515  10.670
   29   3HG2  THR   5          3HG2      THR   5 -14.916   9.513  12.159
   30    H    PHE   6           H        PHE   6 -14.750  11.568   7.031
   31    HA   PHE   6           HA       PHE   6 -13.853   9.084   5.904
   32   1HB   PHE   6          2HB       PHE   6 -12.944  10.403   4.122
   33   2HB   PHE   6          1HB       PHE   6 -14.506  11.088   4.550
   34    HD1  PHE   6           1HD      PHE   6 -14.685  13.284   5.485
   35    HD2  PHE   6           2HD      PHE   6 -10.873  11.571   4.681
   36    HE1  PHE   6           1HE      PHE   6 -13.634  15.490   5.774
   37    HE2  PHE   6           2HE      PHE   6  -9.817  13.772   4.971
   38    HZ   PHE   6           HZ       PHE   6 -11.200  15.737   5.519
   39    H    THR   7           H        THR   7 -12.495  11.503   8.002
   40    HA   THR   7           HA       THR   7  -9.775  11.151   7.647
   41    HB   THR   7           HB       THR   7 -10.777  12.868   9.107
   42    HG1  THR   7           1HG      THR   7  -8.665  12.606   9.523
   43   1HG2  THR   7          1HG2      THR   7 -12.399  11.264  10.233
   44   2HG2  THR   7          2HG2      THR   7 -11.607  12.469  11.247
   45   3HG2  THR   7          3HG2      THR   7 -11.038  10.799  11.255
   46    H    SER   8           H        SER   8 -12.055   9.092   9.363
   47    HA   SER   8           HA       SER   8 -10.273   7.491  10.797
   48   1HB   SER   8          2HB       SER   8 -12.856   7.527  10.861
   49   2HB   SER   8          1HB       SER   8 -12.766   6.385   9.521
   50    HG   SER   8           HG       SER   8 -12.565   5.860  12.089
   51    H    ASP   9           H        ASP   9 -11.516   7.114   7.501
   52    HA   ASP   9           HA       ASP   9 -10.011   4.737   6.969
   53   1HB   ASP   9          2HB       ASP   9 -12.195   5.661   5.823
   54   2HB   ASP   9          1HB       ASP   9 -11.050   6.497   4.780
   55    H    LEU  10           H        LEU  10  -9.504   8.176   6.508
   56    HA   LEU  10           HA       LEU  10  -7.386   8.107   4.682
   57   1HB   LEU  10          2HB       LEU  10  -8.625  10.045   6.430
   58   2HB   LEU  10          1HB       LEU  10  -6.885  10.253   6.421
   59    HG   LEU  10           HG       LEU  10  -7.954  11.690   4.769
   60   1HD1  LEU  10          1HD1      LEU  10  -5.691  10.512   4.404
   61   2HD1  LEU  10          2HD1      LEU  10  -6.465  11.310   3.034
   62   3HD1  LEU  10          3HD1      LEU  10  -6.558   9.557   3.202
   63   1HD2  LEU  10          1HD2      LEU  10  -9.399  10.999   3.145
   64   2HD2  LEU  10          2HD2      LEU  10  -9.803   9.838   4.409
   65   3HD2  LEU  10          3HD2      LEU  10  -8.736   9.366   3.087
   66    H    SER  11           H        SER  11  -7.368   7.966   8.232
   67    HA   SER  11           HA       SER  11  -4.589   8.035   8.602
   68   1HB   SER  11          2HB       SER  11  -6.882   7.697  10.238
   69   2HB   SER  11          1HB       SER  11  -5.788   6.362  10.597
   70    HG   SER  11           HG       SER  11  -4.329   7.733  11.352
   71    H    LYS  12           H        LYS  12  -6.792   5.289   8.211
   72    HA   LYS  12           HA       LYS  12  -4.808   3.279   8.469
   73   1HB   LYS  12          2HB       LYS  12  -7.435   3.150   8.572
   74   2HB   LYS  12          1HB       LYS  12  -7.285   2.846   6.847
   75   1HG   LYS  12          2HG       LYS  12  -7.274   0.713   7.650
   76   2HG   LYS  12          1HG       LYS  12  -5.542   1.050   7.634
   77   1HD   LYS  12          2HD       LYS  12  -6.272   1.969  10.101
   78   2HD   LYS  12          1HD       LYS  12  -7.354   0.591   9.891
   79   1HE   LYS  12          2HE       LYS  12  -5.521  -0.422  10.838
   80   2HE   LYS  12          1HE       LYS  12  -5.177  -0.632   9.123
   81   1HZ   LYS  12          1HZ       LYS  12  -4.060   1.493  10.874
   82   2HZ   LYS  12          2HZ       LYS  12  -3.745   1.324   9.220
   83   3HZ   LYS  12          3HZ       LYS  12  -3.228   0.134  10.305
   84    H    GLN  13           H        GLN  13  -6.186   4.983   5.689
   85    HA   GLN  13           HA       GLN  13  -4.951   3.450   3.670
   86   1HB   GLN  13          2HB       GLN  13  -6.302   6.082   3.832
   87   2HB   GLN  13          1HB       GLN  13  -5.222   5.847   2.465
   88   1HG   GLN  13          2HG       GLN  13  -6.514   3.643   2.115
   89   2HG   GLN  13          1HG       GLN  13  -7.729   4.379   3.158
   90   1HE2  GLN  13          1HE2      GLN  13  -8.766   6.300   2.459
   91   2HE2  GLN  13          2HE2      GLN  13  -8.829   6.714   0.783
   92    H    MET  14           H        MET  14  -3.945   6.450   5.298
   93    HA   MET  14           HA       MET  14  -1.631   6.949   3.808
   94   1HB   MET  14          2HB       MET  14  -2.400   7.629   6.641
   95   2HB   MET  14          1HB       MET  14  -0.862   8.131   5.954
   96   1HG   MET  14          2HG       MET  14  -2.874   8.845   4.106
   97   2HG   MET  14          1HG       MET  14  -3.422   9.347   5.705
   98   1HE   MET  14          1HE       MET  14  -3.121  11.701   6.272
   99   2HE   MET  14          2HE       MET  14  -3.367  11.863   4.533
  100   3HE   MET  14          3HE       MET  14  -2.105  12.797   5.335
  101    H    GLU  15           H        GLU  15  -2.139   4.921   6.666
  102    HA   GLU  15           HA       GLU  15   0.606   4.280   7.058
  103   1HB   GLU  15          2HB       GLU  15  -1.956   3.008   8.009
  104   2HB   GLU  15          1HB       GLU  15  -0.374   2.369   8.433
  105   1HG   GLU  15          2HG       GLU  15   0.125   4.738   9.291
  106   2HG   GLU  15          1HG       GLU  15  -1.621   4.970   9.222
  107    H    GLU  16           H        GLU  16  -2.093   2.554   5.495
  108    HA   GLU  16           HA       GLU  16  -0.628   0.253   4.779
  109   1HB   GLU  16          2HB       GLU  16  -3.243   1.433   4.079
  110   2HB   GLU  16          1HB       GLU  16  -2.555   0.370   2.859
  111   1HG   GLU  16          2HG       GLU  16  -2.517  -0.635   5.631
  112   2HG   GLU  16          1HG       GLU  16  -4.102  -0.477   4.875
  113    H    GLU  17           H        GLU  17  -1.359   3.224   2.965
  114    HA   GLU  17           HA       GLU  17  -0.111   2.474   0.562
  115   1HB   GLU  17          2HB       GLU  17  -0.663   5.182   1.770
  116   2HB   GLU  17          1HB       GLU  17   0.032   4.979   0.168
  117   1HG   GLU  17          2HG       GLU  17  -2.555   3.670   0.919
  118   2HG   GLU  17          1HG       GLU  17  -2.494   5.344   0.367
  119    H    ALA  18           H        ALA  18   1.134   4.026   3.474
  120    HA   ALA  18           HA       ALA  18   3.678   4.732   2.523
  121   1HB   ALA  18          1HB       ALA  18   2.872   3.948   5.325
  122   2HB   ALA  18          2HB       ALA  18   2.782   5.570   4.635
  123   3HB   ALA  18          3HB       ALA  18   4.350   4.799   4.876
  124    H    VAL  19           H        VAL  19   2.470   1.723   3.962
  125    HA   VAL  19           HA       VAL  19   4.949   0.382   4.130
  126    HB   VAL  19           HB       VAL  19   2.177  -0.785   3.788
  127   1HG1  VAL  19          1HG1      VAL  19   3.418  -2.715   5.070
  128   2HG1  VAL  19          2HG1      VAL  19   4.840  -2.022   4.292
  129   3HG1  VAL  19          3HG1      VAL  19   3.492  -2.600   3.312
  130   1HG2  VAL  19          1HG2      VAL  19   1.892  -0.698   6.052
  131   2HG2  VAL  19          2HG2      VAL  19   2.885   0.739   5.832
  132   3HG2  VAL  19          3HG2      VAL  19   3.622  -0.763   6.386
  133    H    ARG  20           H        ARG  20   2.465   0.468   1.580
  134    HA   ARG  20           HA       ARG  20   3.659  -1.366  -0.181
  135   1HB   ARG  20          2HB       ARG  20   1.311  -0.173  -0.219
  136   2HB   ARG  20          1HB       ARG  20   2.149   1.004  -1.218
  137   1HG   ARG  20          2HG       ARG  20   1.908  -0.293  -2.992
  138   2HG   ARG  20          1HG       ARG  20   2.762  -1.607  -2.181
  139   1HD   ARG  20          2HD       ARG  20   0.625  -2.443  -2.793
  140   2HD   ARG  20          1HD       ARG  20   0.599  -2.185  -1.051
  141    HE   ARG  20           HE       ARG  20  -0.436  -0.022  -2.700
  142   1HH1  ARG  20          1HH1      ARG  20  -1.164  -2.824  -0.725
  143   2HH1  ARG  20          2HH1      ARG  20  -2.809  -2.360  -0.460
  144   1HH2  ARG  20          1HH2      ARG  20  -2.604   0.578  -2.348
  145   2HH2  ARG  20          2HH2      ARG  20  -3.629  -0.431  -1.382
  146    H    LEU  21           H        LEU  21   4.039   2.151   0.149
  147    HA   LEU  21           HA       LEU  21   5.718   2.540  -2.082
  148   1HB   LEU  21          2HB       LEU  21   5.430   4.073   0.499
  149   2HB   LEU  21          1HB       LEU  21   6.453   4.608  -0.820
  150    HG   LEU  21           HG       LEU  21   3.618   4.031  -1.483
  151   1HD1  LEU  21          1HD1      LEU  21   3.831   6.748  -0.606
  152   2HD1  LEU  21          2HD1      LEU  21   4.220   5.659   0.726
  153   3HD1  LEU  21          3HD1      LEU  21   2.681   5.505  -0.119
  154   1HD2  LEU  21          1HD2      LEU  21   5.140   6.479  -2.236
  155   2HD2  LEU  21          2HD2      LEU  21   3.950   5.560  -3.159
  156   3HD2  LEU  21          3HD2      LEU  21   5.588   4.936  -2.962
  157    H    PHE  22           H        PHE  22   6.425   1.875   1.330
  158    HA   PHE  22           HA       PHE  22   9.233   1.982   1.142
  159   1HB   PHE  22          2HB       PHE  22   8.240   2.089   3.307
  160   2HB   PHE  22          1HB       PHE  22   7.365   0.585   3.058
  161    HD1  PHE  22           1HD      PHE  22   8.155  -1.258   4.141
  162    HD2  PHE  22           2HD      PHE  22  10.898   1.805   3.045
  163    HE1  PHE  22           1HE      PHE  22   9.978  -2.501   5.237
  164    HE2  PHE  22           2HE      PHE  22  12.724   0.568   4.135
  165    HZ   PHE  22           HZ       PHE  22  12.265  -1.587   5.234
  166    H    ILE  23           H        ILE  23   6.914  -0.674   0.765
  167    HA   ILE  23           HA       ILE  23   8.763  -2.774   0.457
  168    HB   ILE  23           HB       ILE  23   5.939  -2.443  -0.561
  169   1HG1  ILE  23          2HG1      ILE  23   6.884  -4.369   1.544
  170   2HG1  ILE  23          1HG1      ILE  23   6.574  -2.685   1.954
  171   1HG2  ILE  23          1HG2      ILE  23   7.619  -4.947  -0.637
  172   2HG2  ILE  23          2HG2      ILE  23   7.151  -3.982  -2.037
  173   3HG2  ILE  23          3HG2      ILE  23   5.920  -4.812  -1.088
  174   1HD1  ILE  23          1HD1      ILE  23   4.286  -2.878   1.360
  175   2HD1  ILE  23          2HD1      ILE  23   4.684  -4.258   2.382
  176   3HD1  ILE  23          3HD1      ILE  23   4.545  -4.464   0.636
  177    H    GLU  24           H        GLU  24   7.171  -0.665  -1.932
  178    HA   GLU  24           HA       GLU  24   8.316  -1.836  -4.227
  179   1HB   GLU  24          2HB       GLU  24   6.356  -0.218  -4.129
  180   2HB   GLU  24          1HB       GLU  24   7.539   1.069  -3.949
  181   1HG   GLU  24          2HG       GLU  24   6.779   0.844  -6.255
  182   2HG   GLU  24          1HG       GLU  24   8.506   0.522  -6.100
  183    H    TRP  25           H        TRP  25   9.386   0.755  -2.086
  184    HA   TRP  25           HA       TRP  25  11.596   1.649  -3.565
  185   1HB   TRP  25          2HB       TRP  25  10.756   2.949  -1.712
  186   2HB   TRP  25          1HB       TRP  25  11.070   1.634  -0.586
  187    HD1  TRP  25           HD       TRP  25  13.091   4.027  -2.877
  188    HE1  TRP  25           1HE      TRP  25  15.342   4.505  -1.726
  189    HE3  TRP  25           3HE      TRP  25  12.592   0.960   1.180
  190    HZ2  TRP  25           2HZ      TRP  25  16.723   3.690   0.596
  191    HZ3  TRP  25           3HZ      TRP  25  14.428   0.866   2.820
  192    HH2  TRP  25           HH       TRP  25  16.450   2.203   2.531
  193    H    LEU  26           H        LEU  26  11.273  -0.919  -1.140
  194    HA   LEU  26           HA       LEU  26  14.025  -1.615  -1.056
  195   1HB   LEU  26          2HB       LEU  26  11.530  -3.139  -0.318
  196   2HB   LEU  26          1HB       LEU  26  13.146  -3.776  -0.074
  197    HG   LEU  26           HG       LEU  26  12.068  -1.256   1.194
  198   1HD1  LEU  26          1HD1      LEU  26  12.084  -4.094   2.017
  199   2HD1  LEU  26          2HD1      LEU  26  10.964  -2.797   2.428
  200   3HD1  LEU  26          3HD1      LEU  26  12.523  -2.907   3.246
  201   1HD2  LEU  26          1HD2      LEU  26  14.638  -2.749   1.702
  202   2HD2  LEU  26          2HD2      LEU  26  14.092  -1.284   2.516
  203   3HD2  LEU  26          3HD2      LEU  26  14.504  -1.239   0.802
  204    H    LYS  27           H        LYS  27  11.261  -2.808  -2.922
  205    HA   LYS  27           HA       LYS  27  12.534  -4.983  -4.167
  206   1HB   LYS  27          2HB       LYS  27  10.024  -3.585  -4.393
  207   2HB   LYS  27          1HB       LYS  27  10.660  -3.929  -5.995
  208   1HG   LYS  27          2HG       LYS  27   9.682  -5.915  -5.758
  209   2HG   LYS  27          1HG       LYS  27  11.042  -6.309  -4.706
  210   1HD   LYS  27          2HD       LYS  27   8.862  -4.858  -3.381
  211   2HD   LYS  27          1HD       LYS  27   8.411  -6.451  -3.992
  212   1HE   LYS  27          2HE       LYS  27   9.187  -7.061  -1.941
  213   2HE   LYS  27          1HE       LYS  27  10.700  -7.130  -2.841
  214   1HZ   LYS  27          1HZ       LYS  27  11.513  -5.314  -1.794
  215   2HZ   LYS  27          2HZ       LYS  27  10.450  -5.810  -0.576
  216   3HZ   LYS  27          3HZ       LYS  27  10.003  -4.567  -1.631
  217    H    ASN  28           H        ASN  28  12.462  -1.551  -4.931
  218    HA   ASN  28           HA       ASN  28  13.637  -1.780  -7.519
  219   1HB   ASN  28          2HB       ASN  28  12.328   0.201  -6.237
  220   2HB   ASN  28          1HB       ASN  28  13.983   0.726  -5.977
  221   1HD2  ASN  28          1HD2      ASN  28  11.393   0.889  -8.027
  222   2HD2  ASN  28          2HD2      ASN  28  12.205   1.406  -9.460
  223    H    GLY  29           H        GLY  29  14.906  -1.935  -4.328
  224   1HA   GLY  29          2HA       GLY  29  17.312  -2.855  -4.571
  225   2HA   GLY  29          1HA       GLY  29  17.614  -1.266  -5.256
  226    H    GLY  30           H        GLY  30  15.392  -0.500  -3.045
  227   1HA   GLY  30          2HA       GLY  30  15.412   0.248  -0.874
  228   2HA   GLY  30          1HA       GLY  30  16.800  -0.792  -0.587
  229    HA   PRO  31           HA       PRO  31  18.658   3.297   0.037
  230   1HB   PRO  31          2HB       PRO  31  21.001   1.595   0.668
  231   2HB   PRO  31          1HB       PRO  31  20.256   2.884   1.619
  232   1HG   PRO  31          2HG       PRO  31  19.956   0.319   2.302
  233   2HG   PRO  31          1HG       PRO  31  18.630   1.482   2.489
  234   1HD   PRO  31          2HD       PRO  31  19.044  -0.597   0.377
  235   2HD   PRO  31          1HD       PRO  31  17.548  -0.101   1.193
  236    H    SER  32           H        SER  32  20.019   0.573  -1.773
  237    HA   SER  32           HA       SER  32  21.711   2.388  -3.318
  238   1HB   SER  32          2HB       SER  32  22.443   0.081  -4.320
  239   2HB   SER  32          1HB       SER  32  23.000   0.556  -2.718
  240    HG   SER  32           HG       SER  32  21.826  -0.979  -1.851
  241    H    SER  33           H        SER  33  18.724   2.240  -3.629
  242    HA   SER  33           HA       SER  33  18.400   1.072  -6.275
  243   1HB   SER  33          2HB       SER  33  16.549   0.730  -4.779
  244   2HB   SER  33          1HB       SER  33  16.449   2.451  -4.418
  245    HG   SER  33           HG       SER  33  15.188   2.626  -6.072
  246    H    GLY  34           H        GLY  34  18.467   4.256  -4.735
  247   1HA   GLY  34          2HA       GLY  34  19.635   5.781  -6.553
  248   2HA   GLY  34          1HA       GLY  34  18.059   5.586  -7.304
  249    H    ALA  35           H        ALA  35  16.381   5.707  -5.149
  250    HA   ALA  35           HA       ALA  35  16.781   8.471  -4.216
  251   1HB   ALA  35          1HB       ALA  35  14.656   7.367  -5.610
  252   2HB   ALA  35          2HB       ALA  35  14.669   8.916  -4.768
  253   3HB   ALA  35          3HB       ALA  35  14.072   7.473  -3.949
  254    HA   PRO  36           HA       PRO  36  16.715   7.255   0.027
  255   1HB   PRO  36          2HB       PRO  36  15.143   9.124   1.212
  256   2HB   PRO  36          1HB       PRO  36  16.764   9.478   0.602
  257   1HG   PRO  36          2HG       PRO  36  14.105  10.008  -0.665
  258   2HG   PRO  36          1HG       PRO  36  15.535  11.055  -0.583
  259   1HD   PRO  36          2HD       PRO  36  14.896   9.614  -2.790
  260   2HD   PRO  36          1HD       PRO  36  16.572   9.987  -2.339
  261    HA   PRO  37           HA       PRO  37  13.239   4.734   1.063
  262   1HB   PRO  37          2HB       PRO  37  13.126   4.950   3.784
  263   2HB   PRO  37          1HB       PRO  37  14.339   3.991   2.929
  264   1HG   PRO  37          2HG       PRO  37  14.563   6.751   4.066
  265   2HG   PRO  37          1HG       PRO  37  15.724   5.412   4.139
  266   1HD   PRO  37          2HD       PRO  37  16.003   7.445   2.396
  267   2HD   PRO  37          1HD       PRO  37  16.485   5.785   1.987
  268    HA   PRO  38           HA       PRO  38   9.805   7.587   1.262
  269   1HB   PRO  38          2HB       PRO  38   7.813   5.756   1.099
  270   2HB   PRO  38          1HB       PRO  38   8.798   6.219  -0.294
  271   1HG   PRO  38          2HG       PRO  38   9.030   3.822   1.484
  272   2HG   PRO  38          1HG       PRO  38   9.153   3.920  -0.283
  273   1HD   PRO  38          2HD       PRO  38  11.323   3.780   1.338
  274   2HD   PRO  38          1HD       PRO  38  11.337   4.636  -0.217
  275    H    SER  39           H        SER  39   9.829   8.441   3.315
  276    HA   SER  39           HA       SER  39   8.107   7.130   5.266
  277   1HB   SER  39          2HB       SER  39   9.813   7.682   7.094
  278   2HB   SER  39          1HB       SER  39  10.176   6.300   6.061
  279    HG   SER  39           HG       SER  39  11.513   8.671   6.351
  Start of MODEL   10
    1   1H    HIS   1          1HT       HIS   1 -22.908   7.786  22.561
    2   2H    HIS   1          2HT       HIS   1 -21.447   6.892  22.455
    3   3H    HIS   1          3HT       HIS   1 -22.620   6.483  23.638
    4    HA   HIS   1           HA       HIS   1 -22.549   4.987  21.726
    5   1HB   HIS   1          2HB       HIS   1 -24.976   4.887  21.535
    6   2HB   HIS   1          1HB       HIS   1 -24.526   5.279  23.189
    7    HD1  HIS   1           1HD      HIS   1 -26.205   6.700  20.170
    8    HD2  HIS   1           2HD      HIS   1 -25.282   7.840  24.059
    9    HE1  HIS   1           1HE      HIS   1 -27.527   8.797  20.587
   10    HE2  HIS   1           2HE      HIS   1 -26.889   9.513  22.917
   11    H    GLY   2           H        GLY   2 -23.127   4.625  19.524
   12   1HA   GLY   2          2HA       GLY   2 -23.976   5.589  17.424
   13   2HA   GLY   2          1HA       GLY   2 -23.155   7.078  17.871
   14    H    GLU   3           H        GLU   3 -22.987   4.661  15.764
   15    HA   GLU   3           HA       GLU   3 -20.216   3.933  15.913
   16   1HB   GLU   3          2HB       GLU   3 -20.589   2.792  13.804
   17   2HB   GLU   3          1HB       GLU   3 -21.916   2.453  14.903
   18   1HG   GLU   3          2HG       GLU   3 -23.048   2.840  12.957
   19   2HG   GLU   3          1HG       GLU   3 -23.066   4.450  13.676
   20    H    GLY   4           H        GLY   4 -18.788   4.260  13.916
   21   1HA   GLY   4          2HA       GLY   4 -18.828   6.081  11.991
   22   2HA   GLY   4          1HA       GLY   4 -18.686   7.131  13.392
   23    H    THR   5           H        THR   5 -17.100   4.615  11.512
   24    HA   THR   5           HA       THR   5 -14.566   5.211  12.885
   25    HB   THR   5           HB       THR   5 -13.762   3.117  11.675
   26    HG1  THR   5           1HG      THR   5 -16.522   2.583  11.366
   27   1HG2  THR   5          1HG2      THR   5 -14.237   2.930  13.999
   28   2HG2  THR   5          2HG2      THR   5 -14.937   1.535  13.180
   29   3HG2  THR   5          3HG2      THR   5 -15.973   2.866  13.693
   30    H    PHE   6           H        PHE   6 -15.652   7.052  10.973
   31    HA   PHE   6           HA       PHE   6 -14.397   6.703   8.438
   32   1HB   PHE   6          2HB       PHE   6 -16.193   8.574   9.634
   33   2HB   PHE   6          1HB       PHE   6 -14.847   9.472   8.936
   34    HD1  PHE   6           1HD      PHE   6 -14.195   8.821   6.502
   35    HD2  PHE   6           2HD      PHE   6 -17.957   7.946   8.289
   36    HE1  PHE   6           1HE      PHE   6 -15.197   8.591   4.268
   37    HE2  PHE   6           2HE      PHE   6 -18.967   7.716   6.058
   38    HZ   PHE   6           HZ       PHE   6 -17.587   8.036   4.043
   39    H    THR   7           H        THR   7 -13.433   8.161  11.474
   40    HA   THR   7           HA       THR   7 -11.005   9.262  10.279
   41    HB   THR   7           HB       THR   7 -11.768   9.403  13.191
   42    HG1  THR   7           1HG      THR   7 -13.419  10.530  12.582
   43   1HG2  THR   7          1HG2      THR   7  -9.534  10.185  12.685
   44   2HG2  THR   7          2HG2      THR   7 -10.579  11.537  13.126
   45   3HG2  THR   7          3HG2      THR   7 -10.171  11.250  11.434
   46    H    SER   8           H        SER   8 -12.059   6.546  12.178
   47    HA   SER   8           HA       SER   8  -9.440   5.895  13.183
   48   1HB   SER   8          2HB       SER   8 -11.892   4.130  13.130
   49   2HB   SER   8          1HB       SER   8 -10.475   3.956  14.164
   50    HG   SER   8           HG       SER   8 -12.643   5.652  14.395
   51    H    ASP   9           H        ASP   9 -11.647   4.358  10.851
   52    HA   ASP   9           HA       ASP   9  -9.838   2.380  10.003
   53   1HB   ASP   9          2HB       ASP   9 -12.501   3.154   9.373
   54   2HB   ASP   9          1HB       ASP   9 -11.614   3.016   7.859
   55    H    LEU  10           H        LEU  10 -10.558   5.585   8.673
   56    HA   LEU  10           HA       LEU  10  -8.947   5.374   6.378
   57   1HB   LEU  10          2HB       LEU  10 -10.354   7.487   7.797
   58   2HB   LEU  10          1HB       LEU  10  -8.864   8.055   7.071
   59    HG   LEU  10           HG       LEU  10 -10.768   6.453   5.414
   60   1HD1  LEU  10          1HD1      LEU  10 -12.351   7.970   6.090
   61   2HD1  LEU  10          2HD1      LEU  10 -11.629   8.830   4.730
   62   3HD1  LEU  10          3HD1      LEU  10 -11.167   9.244   6.381
   63   1HD2  LEU  10          1HD2      LEU  10  -9.781   7.623   3.608
   64   2HD2  LEU  10          2HD2      LEU  10  -8.458   7.129   4.665
   65   3HD2  LEU  10          3HD2      LEU  10  -9.029   8.797   4.686
   66    H    SER  11           H        SER  11  -8.180   6.276   9.699
   67    HA   SER  11           HA       SER  11  -5.607   7.320   9.239
   68   1HB   SER  11          2HB       SER  11  -7.005   7.441  11.387
   69   2HB   SER  11          1HB       SER  11  -6.395   5.826  11.738
   70    HG   SER  11           HG       SER  11  -5.178   7.720  12.584
   71    H    LYS  12           H        LYS  12  -6.729   4.030   9.912
   72    HA   LYS  12           HA       LYS  12  -4.114   2.882   9.969
   73   1HB   LYS  12          2HB       LYS  12  -6.677   2.028  10.634
   74   2HB   LYS  12          1HB       LYS  12  -6.243   1.027   9.256
   75   1HG   LYS  12          2HG       LYS  12  -5.559  -0.182  11.139
   76   2HG   LYS  12          1HG       LYS  12  -4.079   0.527  10.485
   77   1HD   LYS  12          2HD       LYS  12  -3.887   2.048  12.213
   78   2HD   LYS  12          1HD       LYS  12  -5.611   1.998  12.588
   79   1HE   LYS  12          2HE       LYS  12  -5.232  -0.396  13.338
   80   2HE   LYS  12          1HE       LYS  12  -3.506  -0.053  13.236
   81   1HZ   LYS  12          1HZ       LYS  12  -5.489   1.293  14.985
   82   2HZ   LYS  12          2HZ       LYS  12  -3.888   1.806  14.806
   83   3HZ   LYS  12          3HZ       LYS  12  -4.218   0.286  15.469
   84    H    GLN  13           H        GLN  13  -6.668   3.106   7.508
   85    HA   GLN  13           HA       GLN  13  -5.407   1.566   5.524
   86   1HB   GLN  13          2HB       GLN  13  -7.836   2.522   5.662
   87   2HB   GLN  13          1HB       GLN  13  -7.146   3.909   4.830
   88   1HG   GLN  13          2HG       GLN  13  -7.471   2.848   2.922
   89   2HG   GLN  13          1HG       GLN  13  -6.244   1.680   3.413
   90   1HE2  GLN  13          1HE2      GLN  13  -9.105   1.761   2.070
   91   2HE2  GLN  13          2HE2      GLN  13  -9.851   0.361   2.752
   92    H    MET  14           H        MET  14  -5.193   5.014   6.300
   93    HA   MET  14           HA       MET  14  -3.719   5.844   4.059
   94   1HB   MET  14          2HB       MET  14  -4.104   6.900   6.829
   95   2HB   MET  14          1HB       MET  14  -2.847   7.607   5.822
   96   1HG   MET  14          2HG       MET  14  -5.531   7.314   4.614
   97   2HG   MET  14          1HG       MET  14  -5.347   8.520   5.887
   98   1HE   MET  14          1HE       MET  14  -5.535   8.058   2.351
   99   2HE   MET  14          2HE       MET  14  -3.924   7.340   2.343
  100   3HE   MET  14          3HE       MET  14  -4.197   8.902   1.572
  101    H    GLU  15           H        GLU  15  -2.684   4.504   7.172
  102    HA   GLU  15           HA       GLU  15   0.093   4.866   6.806
  103   1HB   GLU  15          2HB       GLU  15  -1.570   3.077   8.549
  104   2HB   GLU  15          1HB       GLU  15   0.175   2.871   8.484
  105   1HG   GLU  15          2HG       GLU  15  -1.087   5.524   9.086
  106   2HG   GLU  15          1HG       GLU  15  -0.774   4.326  10.341
  107    H    GLU  16           H        GLU  16  -2.129   2.308   5.834
  108    HA   GLU  16           HA       GLU  16  -0.278   0.336   5.123
  109   1HB   GLU  16          2HB       GLU  16  -3.101   0.915   4.554
  110   2HB   GLU  16          1HB       GLU  16  -2.294   0.010   3.283
  111   1HG   GLU  16          2HG       GLU  16  -3.261  -1.578   4.723
  112   2HG   GLU  16          1HG       GLU  16  -1.529  -1.598   5.055
  113    H    GLU  17           H        GLU  17  -1.510   3.111   3.295
  114    HA   GLU  17           HA       GLU  17  -0.390   2.479   0.803
  115   1HB   GLU  17          2HB       GLU  17  -1.507   4.877   2.092
  116   2HB   GLU  17          1HB       GLU  17  -0.331   5.212   0.829
  117   1HG   GLU  17          2HG       GLU  17  -1.715   3.578  -0.596
  118   2HG   GLU  17          1HG       GLU  17  -2.966   3.814   0.624
  119    H    ALA  18           H        ALA  18   0.931   4.223   3.578
  120    HA   ALA  18           HA       ALA  18   3.337   5.077   2.391
  121   1HB   ALA  18          1HB       ALA  18   4.134   5.462   4.632
  122   2HB   ALA  18          2HB       ALA  18   2.884   4.413   5.300
  123   3HB   ALA  18          3HB       ALA  18   2.440   5.939   4.534
  124    H    VAL  19           H        VAL  19   2.466   2.084   4.079
  125    HA   VAL  19           HA       VAL  19   5.052   0.948   4.181
  126    HB   VAL  19           HB       VAL  19   2.438  -0.563   3.984
  127   1HG1  VAL  19          1HG1      VAL  19   4.404  -1.743   5.699
  128   2HG1  VAL  19          2HG1      VAL  19   5.109  -1.441   4.112
  129   3HG1  VAL  19          3HG1      VAL  19   3.641  -2.407   4.255
  130   1HG2  VAL  19          1HG2      VAL  19   3.524   1.103   6.125
  131   2HG2  VAL  19          2HG2      VAL  19   3.121  -0.535   6.640
  132   3HG2  VAL  19          3HG2      VAL  19   1.891   0.481   5.890
  133    H    ARG  20           H        ARG  20   2.432   0.714   1.793
  134    HA   ARG  20           HA       ARG  20   3.629  -1.143   0.066
  135   1HB   ARG  20          2HB       ARG  20   1.315   0.546   0.063
  136   2HB   ARG  20          1HB       ARG  20   2.125   0.702  -1.489
  137   1HG   ARG  20          2HG       ARG  20   2.025  -2.058  -0.770
  138   2HG   ARG  20          1HG       ARG  20   0.414  -1.353  -0.611
  139   1HD   ARG  20          2HD       ARG  20   0.445  -0.589  -2.870
  140   2HD   ARG  20          1HD       ARG  20   2.150  -0.999  -3.045
  141    HE   ARG  20           HE       ARG  20   1.562  -3.179  -3.435
  142   1HH1  ARG  20          1HH1      ARG  20  -1.221  -1.480  -2.153
  143   2HH1  ARG  20          2HH1      ARG  20  -2.318  -2.777  -2.491
  144   1HH2  ARG  20          1HH2      ARG  20   0.112  -4.881  -3.874
  145   2HH2  ARG  20          2HH2      ARG  20  -1.562  -4.708  -3.468
  146    H    LEU  21           H        LEU  21   3.862   2.396   0.201
  147    HA   LEU  21           HA       LEU  21   5.382   2.745  -2.152
  148   1HB   LEU  21          2HB       LEU  21   4.560   4.365   0.126
  149   2HB   LEU  21          1HB       LEU  21   6.183   4.762  -0.401
  150    HG   LEU  21           HG       LEU  21   4.548   6.215  -1.462
  151   1HD1  LEU  21          1HD1      LEU  21   5.581   6.235  -3.470
  152   2HD1  LEU  21          2HD1      LEU  21   5.322   4.514  -3.748
  153   3HD1  LEU  21          3HD1      LEU  21   6.625   5.049  -2.685
  154   1HD2  LEU  21          1HD2      LEU  21   2.671   4.579  -1.385
  155   2HD2  LEU  21          2HD2      LEU  21   3.405   3.747  -2.755
  156   3HD2  LEU  21          3HD2      LEU  21   2.843   5.409  -2.932
  157    H    PHE  22           H        PHE  22   6.316   2.321   1.246
  158    HA   PHE  22           HA       PHE  22   9.101   2.525   0.886
  159   1HB   PHE  22          2HB       PHE  22   8.243   2.720   3.100
  160   2HB   PHE  22          1HB       PHE  22   7.398   1.182   2.987
  161    HD1  PHE  22           1HD      PHE  22   8.306  -0.598   4.091
  162    HD2  PHE  22           2HD      PHE  22  10.881   2.510   2.737
  163    HE1  PHE  22           1HE      PHE  22  10.223  -1.729   5.147
  164    HE2  PHE  22           2HE      PHE  22  12.800   1.384   3.789
  165    HZ   PHE  22           HZ       PHE  22  12.473  -0.738   4.995
  166    H    ILE  23           H        ILE  23   6.876  -0.229   0.774
  167    HA   ILE  23           HA       ILE  23   8.789  -2.276   0.499
  168    HB   ILE  23           HB       ILE  23   5.914  -2.112  -0.408
  169   1HG1  ILE  23          2HG1      ILE  23   7.002  -3.878   1.761
  170   2HG1  ILE  23          1HG1      ILE  23   6.693  -2.178   2.091
  171   1HG2  ILE  23          1HG2      ILE  23   6.054  -4.601  -0.635
  172   2HG2  ILE  23          2HG2      ILE  23   7.808  -4.450  -0.528
  173   3HG2  ILE  23          3HG2      ILE  23   6.937  -3.696  -1.864
  174   1HD1  ILE  23          1HD1      ILE  23   4.423  -2.417   1.906
  175   2HD1  ILE  23          2HD1      ILE  23   4.877  -3.985   2.572
  176   3HD1  ILE  23          3HD1      ILE  23   4.546  -3.821   0.848
  177    H    GLU  24           H        GLU  24   7.045  -0.334  -1.911
  178    HA   GLU  24           HA       GLU  24   8.045  -1.589  -4.217
  179   1HB   GLU  24          2HB       GLU  24   6.127  -0.012  -4.182
  180   2HB   GLU  24          1HB       GLU  24   7.246   1.310  -3.880
  181   1HG   GLU  24          2HG       GLU  24   8.251   1.056  -6.019
  182   2HG   GLU  24          1HG       GLU  24   7.385  -0.453  -6.310
  183    H    TRP  25           H        TRP  25   9.296   1.076  -2.258
  184    HA   TRP  25           HA       TRP  25  11.443   1.801  -3.932
  185   1HB   TRP  25          2HB       TRP  25  10.759   3.318  -2.210
  186   2HB   TRP  25          1HB       TRP  25  10.993   2.105  -0.959
  187    HD1  TRP  25           HD       TRP  25  13.162   4.107  -3.484
  188    HE1  TRP  25           1HE      TRP  25  15.438   4.567  -2.375
  189    HE3  TRP  25           3HE      TRP  25  12.470   1.546   0.887
  190    HZ2  TRP  25           2HZ      TRP  25  16.767   3.930   0.033
  191    HZ3  TRP  25           3HZ      TRP  25  14.293   1.522   2.538
  192    HH2  TRP  25           HH       TRP  25  16.395   2.689   2.119
  193    H    LEU  26           H        LEU  26  11.136  -0.614  -1.367
  194    HA   LEU  26           HA       LEU  26  13.901  -1.310  -1.314
  195   1HB   LEU  26          2HB       LEU  26  11.426  -2.742  -0.358
  196   2HB   LEU  26          1HB       LEU  26  13.041  -3.389  -0.147
  197    HG   LEU  26           HG       LEU  26  11.985  -0.817   1.028
  198   1HD1  LEU  26          1HD1      LEU  26  12.701  -2.246   3.136
  199   2HD1  LEU  26          2HD1      LEU  26  12.338  -3.582   2.042
  200   3HD1  LEU  26          3HD1      LEU  26  11.098  -2.384   2.416
  201   1HD2  LEU  26          1HD2      LEU  26  14.365  -0.660   0.409
  202   2HD2  LEU  26          2HD2      LEU  26  14.693  -2.101   1.369
  203   3HD2  LEU  26          3HD2      LEU  26  14.120  -0.628   2.154
  204    H    LYS  27           H        LYS  27  11.122  -2.367  -3.178
  205    HA   LYS  27           HA       LYS  27  12.211  -4.747  -4.232
  206   1HB   LYS  27          2HB       LYS  27  10.040  -2.884  -5.174
  207   2HB   LYS  27          1HB       LYS  27  10.508  -4.297  -6.112
  208   1HG   LYS  27          2HG       LYS  27   9.712  -4.519  -3.229
  209   2HG   LYS  27          1HG       LYS  27   8.520  -4.515  -4.530
  210   1HD   LYS  27          2HD       LYS  27   9.453  -6.485  -5.494
  211   2HD   LYS  27          1HD       LYS  27  10.858  -6.413  -4.430
  212   1HE   LYS  27          2HE       LYS  27   9.285  -6.708  -2.497
  213   2HE   LYS  27          1HE       LYS  27   8.005  -7.013  -3.671
  214   1HZ   LYS  27          1HZ       LYS  27   9.278  -8.890  -4.512
  215   2HZ   LYS  27          2HZ       LYS  27   8.961  -9.073  -2.860
  216   3HZ   LYS  27          3HZ       LYS  27  10.500  -8.599  -3.377
  217    H    ASN  28           H        ASN  28  12.320  -1.380  -5.359
  218    HA   ASN  28           HA       ASN  28  13.633  -1.993  -7.812
  219   1HB   ASN  28          2HB       ASN  28  13.911   0.388  -8.091
  220   2HB   ASN  28          1HB       ASN  28  12.303   0.080  -7.455
  221   1HD2  ASN  28          1HD2      ASN  28  11.806   1.791  -6.281
  222   2HD2  ASN  28          2HD2      ASN  28  12.793   2.492  -5.049
  223    H    GLY  29           H        GLY  29  14.743  -1.738  -4.577
  224   1HA   GLY  29          2HA       GLY  29  17.177  -2.771  -4.755
  225   2HA   GLY  29          1HA       GLY  29  17.494  -1.150  -5.350
  226    H    GLY  30           H        GLY  30  15.365  -0.094  -3.450
  227   1HA   GLY  30          2HA       GLY  30  15.198   0.653  -1.289
  228   2HA   GLY  30          1HA       GLY  30  16.271  -0.654  -0.810
  229    HA   PRO  31           HA       PRO  31  18.812   2.986   0.126
  230   1HB   PRO  31          2HB       PRO  31  20.545   0.909   1.313
  231   2HB   PRO  31          1HB       PRO  31  19.863   2.363   2.046
  232   1HG   PRO  31          2HG       PRO  31  18.940  -0.075   2.663
  233   2HG   PRO  31          1HG       PRO  31  17.864   1.330   2.561
  234   1HD   PRO  31          2HD       PRO  31  18.289  -0.878   0.582
  235   2HD   PRO  31          1HD       PRO  31  16.783  -0.071   1.069
  236    H    SER  32           H        SER  32  19.848  -0.086  -1.304
  237    HA   SER  32           HA       SER  32  22.233   1.176  -2.418
  238   1HB   SER  32          2HB       SER  32  22.528  -1.283  -3.291
  239   2HB   SER  32          1HB       SER  32  22.837  -0.908  -1.599
  240    HG   SER  32           HG       SER  32  20.588  -2.173  -2.751
  241    H    SER  33           H        SER  33  19.568   1.931  -3.403
  242    HA   SER  33           HA       SER  33  19.682   0.877  -6.146
  243   1HB   SER  33          2HB       SER  33  17.511   0.865  -4.649
  244   2HB   SER  33          1HB       SER  33  17.392   2.544  -5.177
  245    HG   SER  33           HG       SER  33  16.322   1.375  -6.690
  246    H    GLY  34           H        GLY  34  19.809   3.822  -4.224
  247   1HA   GLY  34          2HA       GLY  34  21.354   5.501  -5.303
  248   2HA   GLY  34          1HA       GLY  34  20.302   5.359  -6.702
  249    H    ALA  35           H        ALA  35  17.816   5.356  -5.493
  250    HA   ALA  35           HA       ALA  35  17.608   8.154  -4.713
  251   1HB   ALA  35          1HB       ALA  35  15.390   6.187  -5.259
  252   2HB   ALA  35          2HB       ALA  35  16.145   7.207  -6.483
  253   3HB   ALA  35          3HB       ALA  35  15.253   7.943  -5.150
  254    HA   PRO  36           HA       PRO  36  16.950   7.374  -0.411
  255   1HB   PRO  36          2HB       PRO  36  15.340   9.440   0.272
  256   2HB   PRO  36          1HB       PRO  36  17.049   9.655  -0.123
  257   1HG   PRO  36          2HG       PRO  36  14.638  10.096  -1.843
  258   2HG   PRO  36          1HG       PRO  36  16.083  11.107  -1.663
  259   1HD   PRO  36          2HD       PRO  36  15.731   9.415  -3.752
  260   2HD   PRO  36          1HD       PRO  36  17.331   9.800  -3.089
  261    HA   PRO  37           HA       PRO  37  13.178   5.169   0.240
  262   1HB   PRO  37          2HB       PRO  37  12.760   5.493   2.904
  263   2HB   PRO  37          1HB       PRO  37  14.035   4.460   2.249
  264   1HG   PRO  37          2HG       PRO  37  14.221   7.254   3.304
  265   2HG   PRO  37          1HG       PRO  37  15.306   5.879   3.581
  266   1HD   PRO  37          2HD       PRO  37  15.867   7.838   1.801
  267   2HD   PRO  37          1HD       PRO  37  16.378   6.156   1.558
  268    HA   PRO  38           HA       PRO  38   9.805   8.029  -0.155
  269   1HB   PRO  38          2HB       PRO  38   7.761   6.298   0.469
  270   2HB   PRO  38          1HB       PRO  38   8.542   6.383  -1.112
  271   1HG   PRO  38          2HG       PRO  38   9.011   4.475   1.141
  272   2HG   PRO  38          1HG       PRO  38   8.938   4.158  -0.601
  273   1HD   PRO  38          2HD       PRO  38  11.276   4.315   0.715
  274   2HD   PRO  38          1HD       PRO  38  11.102   4.896  -0.953
  275    H    SER  39           H        SER  39   9.819   5.876   2.688
  276    HA   SER  39           HA       SER  39   8.362   7.874   4.242
  277   1HB   SER  39          2HB       SER  39   9.257   5.086   5.017
  278   2HB   SER  39          1HB       SER  39   8.212   6.138   5.972
  279    HG   SER  39           HG       SER  39   6.591   5.824   4.581
  Start of MODEL   11
    1   1H    HIS   1          1HT       HIS   1 -25.458   2.983   1.909
    2   2H    HIS   1          2HT       HIS   1 -25.030   4.638   1.776
    3   3H    HIS   1          3HT       HIS   1 -26.520   4.192   2.500
    4    HA   HIS   1           HA       HIS   1 -25.409   3.166   4.298
    5   1HB   HIS   1          2HB       HIS   1 -23.110   3.546   2.481
    6   2HB   HIS   1          1HB       HIS   1 -22.777   3.855   4.180
    7    HD1  HIS   1           1HD      HIS   1 -25.064   1.139   2.864
    8    HD2  HIS   1           2HD      HIS   1 -21.392   1.568   4.761
    9    HE1  HIS   1           1HE      HIS   1 -24.353  -1.190   3.486
   10    HE2  HIS   1           2HE      HIS   1 -22.088  -0.915   4.551
   11    H    GLY   2           H        GLY   2 -23.772   6.011   2.857
   12   1HA   GLY   2          2HA       GLY   2 -24.387   8.256   3.507
   13   2HA   GLY   2          1HA       GLY   2 -24.830   7.628   5.086
   14    H    GLU   3           H        GLU   3 -23.330   7.575   6.684
   15    HA   GLU   3           HA       GLU   3 -20.521   8.075   5.987
   16   1HB   GLU   3          2HB       GLU   3 -22.177   9.654   7.956
   17   2HB   GLU   3          1HB       GLU   3 -20.420   9.687   7.933
   18   1HG   GLU   3          2HG       GLU   3 -20.420  10.605   5.707
   19   2HG   GLU   3          1HG       GLU   3 -22.174  10.456   5.612
   20    H    GLY   4           H        GLY   4 -19.006   7.582   7.729
   21   1HA   GLY   4          2HA       GLY   4 -20.097   5.761   9.777
   22   2HA   GLY   4          1HA       GLY   4 -18.768   5.242   8.754
   23    H    THR   5           H        THR   5 -16.738   5.674   9.386
   24    HA   THR   5           HA       THR   5 -16.171   7.887  11.167
   25    HB   THR   5           HB       THR   5 -16.764   6.233  12.806
   26    HG1  THR   5           1HG      THR   5 -15.100   6.930  13.841
   27   1HG2  THR   5          1HG2      THR   5 -15.896   4.319  11.021
   28   2HG2  THR   5          2HG2      THR   5 -16.406   4.051  12.688
   29   3HG2  THR   5          3HG2      THR   5 -14.697   4.270  12.315
   30    H    PHE   6           H        PHE   6 -14.908   8.677   9.503
   31    HA   PHE   6           HA       PHE   6 -12.753   7.073   8.420
   32   1HB   PHE   6          2HB       PHE   6 -14.153   9.486   7.658
   33   2HB   PHE   6          1HB       PHE   6 -12.411   9.724   7.574
   34    HD1  PHE   6           1HD      PHE   6 -11.542   9.417   5.483
   35    HD2  PHE   6           2HD      PHE   6 -14.786   6.962   6.733
   36    HE1  PHE   6           1HE      PHE   6 -11.485   8.245   3.320
   37    HE2  PHE   6           2HE      PHE   6 -14.733   5.787   4.573
   38    HZ   PHE   6           HZ       PHE   6 -13.081   6.427   2.863
   39    H    THR   7           H        THR   7 -13.130   9.013  11.163
   40    HA   THR   7           HA       THR   7 -10.739  10.409  11.357
   41    HB   THR   7           HB       THR   7 -12.108   9.028  13.667
   42    HG1  THR   7           1HG      THR   7 -12.774  11.470  12.388
   43   1HG2  THR   7          1HG2      THR   7 -10.014  10.131  14.254
   44   2HG2  THR   7          2HG2      THR   7 -11.405  10.945  14.970
   45   3HG2  THR   7          3HG2      THR   7 -10.611  11.635  13.554
   46    H    SER   8           H        SER   8 -11.445   7.064  12.282
   47    HA   SER   8           HA       SER   8  -8.663   6.581  12.975
   48   1HB   SER   8          2HB       SER   8 -11.090   4.775  13.041
   49   2HB   SER   8          1HB       SER   8  -9.477   4.292  13.561
   50    HG   SER   8           HG       SER   8 -10.012   5.121  15.407
   51    H    ASP   9           H        ASP   9 -10.940   5.830  10.408
   52    HA   ASP   9           HA       ASP   9  -9.464   3.815   9.117
   53   1HB   ASP   9          2HB       ASP   9 -11.927   4.677   8.762
   54   2HB   ASP   9          1HB       ASP   9 -11.171   5.701   7.544
   55    H    LEU  10           H        LEU  10  -9.344   7.329   8.844
   56    HA   LEU  10           HA       LEU  10  -7.770   7.525   6.533
   57   1HB   LEU  10          2HB       LEU  10  -8.895   9.307   8.313
   58   2HB   LEU  10          1HB       LEU  10  -7.178   9.545   8.567
   59    HG   LEU  10           HG       LEU  10  -8.081  11.125   6.929
   60   1HD1  LEU  10          1HD1      LEU  10  -5.731  10.015   6.796
   61   2HD1  LEU  10          2HD1      LEU  10  -6.311  11.014   5.462
   62   3HD1  LEU  10          3HD1      LEU  10  -6.381   9.255   5.341
   63   1HD2  LEU  10          1HD2      LEU  10  -9.390   8.780   5.929
   64   2HD2  LEU  10          2HD2      LEU  10  -8.429   9.518   4.648
   65   3HD2  LEU  10          3HD2      LEU  10  -9.646  10.471   5.499
   66    H    SER  11           H        SER  11  -6.821   7.265   9.946
   67    HA   SER  11           HA       SER  11  -4.057   7.562   9.594
   68   1HB   SER  11          2HB       SER  11  -5.527   7.473  11.768
   69   2HB   SER  11          1HB       SER  11  -5.145   5.753  11.720
   70    HG   SER  11           HG       SER  11  -3.477   7.944  12.175
   71    H    LYS  12           H        LYS  12  -6.098   4.680   9.476
   72    HA   LYS  12           HA       LYS  12  -3.916   2.852   9.177
   73   1HB   LYS  12          2HB       LYS  12  -6.825   2.705   9.341
   74   2HB   LYS  12          1HB       LYS  12  -6.165   1.574   8.167
   75   1HG   LYS  12          2HG       LYS  12  -5.821   0.200   9.875
   76   2HG   LYS  12          1HG       LYS  12  -4.503   1.273  10.350
   77   1HD   LYS  12          2HD       LYS  12  -5.621   2.027  12.139
   78   2HD   LYS  12          1HD       LYS  12  -7.124   2.210  11.233
   79   1HE   LYS  12          2HE       LYS  12  -6.104  -0.478  12.110
   80   2HE   LYS  12          1HE       LYS  12  -7.104   0.529  13.156
   81   1HZ   LYS  12          1HZ       LYS  12  -7.845  -1.022  10.836
   82   2HZ   LYS  12          2HZ       LYS  12  -8.511   0.532  10.862
   83   3HZ   LYS  12          3HZ       LYS  12  -8.784  -0.528  12.151
   84    H    GLN  13           H        GLN  13  -6.158   4.445   6.944
   85    HA   GLN  13           HA       GLN  13  -5.400   3.065   4.612
   86   1HB   GLN  13          2HB       GLN  13  -7.316   4.892   5.190
   87   2HB   GLN  13          1HB       GLN  13  -6.178   5.904   4.314
   88   1HG   GLN  13          2HG       GLN  13  -7.301   5.206   2.515
   89   2HG   GLN  13          1HG       GLN  13  -6.305   3.760   2.674
   90   1HE2  GLN  13          1HE2      GLN  13  -7.215   1.915   3.728
   91   2HE2  GLN  13          2HE2      GLN  13  -8.926   1.683   3.759
   92    H    MET  14           H        MET  14  -4.304   6.209   5.888
   93    HA   MET  14           HA       MET  14  -2.441   6.769   3.864
   94   1HB   MET  14          2HB       MET  14  -2.554   7.632   6.756
   95   2HB   MET  14          1HB       MET  14  -1.374   8.258   5.611
   96   1HG   MET  14          2HG       MET  14  -4.270   8.398   4.931
   97   2HG   MET  14          1HG       MET  14  -3.600   9.540   6.094
   98   1HE   MET  14          1HE       MET  14  -3.758  11.891   3.051
   99   2HE   MET  14          2HE       MET  14  -4.167  11.624   4.747
  100   3HE   MET  14          3HE       MET  14  -4.961  10.678   3.487
  101    H    GLU  15           H        GLU  15  -2.130   4.964   6.889
  102    HA   GLU  15           HA       GLU  15   0.670   4.608   6.811
  103   1HB   GLU  15          2HB       GLU  15  -0.796   4.239   8.812
  104   2HB   GLU  15          1HB       GLU  15  -1.373   2.761   8.055
  105   1HG   GLU  15          2HG       GLU  15   0.462   1.612   8.609
  106   2HG   GLU  15          1HG       GLU  15   1.540   2.952   8.228
  107    H    GLU  16           H        GLU  16  -2.020   2.665   5.548
  108    HA   GLU  16           HA       GLU  16  -0.542   0.433   4.725
  109   1HB   GLU  16          2HB       GLU  16  -3.174   1.613   3.933
  110   2HB   GLU  16          1HB       GLU  16  -2.501   0.308   2.965
  111   1HG   GLU  16          2HG       GLU  16  -2.764   0.053   5.936
  112   2HG   GLU  16          1HG       GLU  16  -4.124  -0.273   4.865
  113    H    GLU  17           H        GLU  17  -1.401   3.389   2.925
  114    HA   GLU  17           HA       GLU  17  -0.234   2.638   0.481
  115   1HB   GLU  17          2HB       GLU  17  -1.623   4.847   1.418
  116   2HB   GLU  17          1HB       GLU  17  -0.032   5.496   1.043
  117   1HG   GLU  17          2HG       GLU  17  -1.928   4.086  -0.812
  118   2HG   GLU  17          1HG       GLU  17  -1.381   5.760  -0.884
  119    H    ALA  18           H        ALA  18   1.109   4.215   3.332
  120    HA   ALA  18           HA       ALA  18   3.610   4.933   2.266
  121   1HB   ALA  18          1HB       ALA  18   2.549   4.505   5.018
  122   2HB   ALA  18          2HB       ALA  18   3.195   5.966   4.273
  123   3HB   ALA  18          3HB       ALA  18   4.288   4.682   4.786
  124    H    VAL  19           H        VAL  19   2.496   1.949   3.835
  125    HA   VAL  19           HA       VAL  19   5.004   0.663   3.976
  126    HB   VAL  19           HB       VAL  19   2.319  -0.693   3.652
  127   1HG1  VAL  19          1HG1      VAL  19   4.758  -1.700   5.097
  128   2HG1  VAL  19          2HG1      VAL  19   4.436  -2.054   3.399
  129   3HG1  VAL  19          3HG1      VAL  19   3.310  -2.599   4.642
  130   1HG2  VAL  19          1HG2      VAL  19   3.077  -0.713   6.351
  131   2HG2  VAL  19          2HG2      VAL  19   1.736   0.167   5.619
  132   3HG2  VAL  19          3HG2      VAL  19   3.306   0.948   5.800
  133    H    ARG  20           H        ARG  20   2.485   0.698   1.478
  134    HA   ARG  20           HA       ARG  20   3.595  -1.198  -0.261
  135   1HB   ARG  20          2HB       ARG  20   1.351   0.417  -0.254
  136   2HB   ARG  20          1HB       ARG  20   2.275   1.042  -1.610
  137   1HG   ARG  20          2HG       ARG  20   2.359  -1.749  -1.851
  138   2HG   ARG  20          1HG       ARG  20   0.696  -1.341  -1.426
  139   1HD   ARG  20          2HD       ARG  20   2.234   0.015  -3.632
  140   2HD   ARG  20          1HD       ARG  20   1.196  -1.387  -3.887
  141    HE   ARG  20           HE       ARG  20  -0.080   0.843  -2.563
  142   1HH1  ARG  20          1HH1      ARG  20   0.626  -0.677  -5.640
  143   2HH1  ARG  20          2HH1      ARG  20  -0.687   0.097  -6.460
  144   1HH2  ARG  20          1HH2      ARG  20  -1.804   1.858  -3.653
  145   2HH2  ARG  20          2HH2      ARG  20  -2.067   1.537  -5.334
  146    H    LEU  21           H        LEU  21   4.111   2.317  -0.035
  147    HA   LEU  21           HA       LEU  21   5.783   2.554  -2.299
  148   1HB   LEU  21          2HB       LEU  21   5.753   4.238   0.211
  149   2HB   LEU  21          1HB       LEU  21   6.512   4.686  -1.305
  150    HG   LEU  21           HG       LEU  21   3.588   4.075  -1.301
  151   1HD1  LEU  21          1HD1      LEU  21   2.929   5.946  -0.241
  152   2HD1  LEU  21          2HD1      LEU  21   4.307   6.884  -0.812
  153   3HD1  LEU  21          3HD1      LEU  21   4.489   5.802   0.568
  154   1HD2  LEU  21          1HD2      LEU  21   5.321   6.036  -2.802
  155   2HD2  LEU  21          2HD2      LEU  21   3.594   5.786  -3.055
  156   3HD2  LEU  21          3HD2      LEU  21   4.735   4.487  -3.411
  157    H    PHE  22           H        PHE  22   6.494   2.035   1.138
  158    HA   PHE  22           HA       PHE  22   9.305   2.043   0.937
  159   1HB   PHE  22          2HB       PHE  22   8.322   2.276   3.097
  160   2HB   PHE  22          1HB       PHE  22   7.397   0.790   2.915
  161    HD1  PHE  22           1HD      PHE  22   8.149  -1.081   3.989
  162    HD2  PHE  22           2HD      PHE  22  10.946   1.947   2.936
  163    HE1  PHE  22           1HE      PHE  22   9.929  -2.330   5.142
  164    HE2  PHE  22           2HE      PHE  22  12.733   0.703   4.085
  165    HZ   PHE  22           HZ       PHE  22  12.225  -1.438   5.188
  166    H    ILE  23           H        ILE  23   6.905  -0.541   0.620
  167    HA   ILE  23           HA       ILE  23   8.679  -2.720   0.439
  168    HB   ILE  23           HB       ILE  23   5.891  -2.302  -0.642
  169   1HG1  ILE  23          2HG1      ILE  23   6.731  -4.260   1.476
  170   2HG1  ILE  23          1HG1      ILE  23   6.487  -2.564   1.882
  171   1HG2  ILE  23          1HG2      ILE  23   7.564  -4.807  -0.774
  172   2HG2  ILE  23          2HG2      ILE  23   6.923  -3.879  -2.131
  173   3HG2  ILE  23          3HG2      ILE  23   5.824  -4.745  -1.057
  174   1HD1  ILE  23          1HD1      ILE  23   4.548  -4.239   2.182
  175   2HD1  ILE  23          2HD1      ILE  23   4.363  -4.081   0.436
  176   3HD1  ILE  23          3HD1      ILE  23   4.220  -2.659   1.469
  177    H    GLU  24           H        GLU  24   7.229  -0.653  -2.079
  178    HA   GLU  24           HA       GLU  24   8.427  -1.955  -4.279
  179   1HB   GLU  24          2HB       GLU  24   6.490  -0.262  -4.271
  180   2HB   GLU  24          1HB       GLU  24   7.734   0.977  -4.222
  181   1HG   GLU  24          2HG       GLU  24   6.874   0.501  -6.494
  182   2HG   GLU  24          1HG       GLU  24   8.615   0.282  -6.329
  183    H    TRP  25           H        TRP  25   9.466   0.694  -2.201
  184    HA   TRP  25           HA       TRP  25  11.728   1.519  -3.639
  185   1HB   TRP  25          2HB       TRP  25  10.844   2.875  -1.846
  186   2HB   TRP  25          1HB       TRP  25  11.120   1.592  -0.675
  187    HD1  TRP  25           HD       TRP  25  13.180   3.971  -2.940
  188    HE1  TRP  25           1HE      TRP  25  15.412   4.449  -1.754
  189    HE3  TRP  25           3HE      TRP  25  12.634   0.880   1.092
  190    HZ2  TRP  25           2HZ      TRP  25  16.767   3.623   0.581
  191    HZ3  TRP  25           3HZ      TRP  25  14.447   0.778   2.753
  192    HH2  TRP  25           HH       TRP  25  16.471   2.123   2.502
  193    H    LEU  26           H        LEU  26  11.289  -1.012  -1.191
  194    HA   LEU  26           HA       LEU  26  14.031  -1.719  -0.975
  195   1HB   LEU  26          2HB       LEU  26  11.497  -3.228  -0.346
  196   2HB   LEU  26          1HB       LEU  26  13.095  -3.873  -0.026
  197    HG   LEU  26           HG       LEU  26  12.002  -1.327   1.175
  198   1HD1  LEU  26          1HD1      LEU  26  10.755  -2.901   2.269
  199   2HD1  LEU  26          2HD1      LEU  26  12.204  -2.898   3.274
  200   3HD1  LEU  26          3HD1      LEU  26  11.969  -4.165   2.071
  201   1HD2  LEU  26          1HD2      LEU  26  14.494  -2.903   1.814
  202   2HD2  LEU  26          2HD2      LEU  26  13.942  -1.443   2.634
  203   3HD2  LEU  26          3HD2      LEU  26  14.447  -1.369   0.945
  204    H    LYS  27           H        LYS  27  11.364  -2.886  -2.987
  205    HA   LYS  27           HA       LYS  27  12.702  -5.078  -4.148
  206   1HB   LYS  27          2HB       LYS  27  10.285  -3.469  -4.800
  207   2HB   LYS  27          1HB       LYS  27  10.965  -4.459  -6.084
  208   1HG   LYS  27          2HG       LYS  27  10.660  -6.450  -4.829
  209   2HG   LYS  27          1HG       LYS  27  10.256  -5.541  -3.370
  210   1HD   LYS  27          2HD       LYS  27   8.246  -4.669  -4.512
  211   2HD   LYS  27          1HD       LYS  27   8.638  -5.665  -5.916
  212   1HE   LYS  27          2HE       LYS  27   8.372  -6.914  -3.211
  213   2HE   LYS  27          1HE       LYS  27   6.932  -6.529  -4.151
  214   1HZ   LYS  27          1HZ       LYS  27   9.173  -8.254  -5.066
  215   2HZ   LYS  27          2HZ       LYS  27   7.773  -7.904  -5.947
  216   3HZ   LYS  27          3HZ       LYS  27   7.668  -8.805  -4.520
  217    H    ASN  28           H        ASN  28  12.717  -1.650  -4.885
  218    HA   ASN  28           HA       ASN  28  13.979  -1.926  -7.444
  219   1HB   ASN  28          2HB       ASN  28  12.568   0.061  -6.288
  220   2HB   ASN  28          1HB       ASN  28  14.197   0.631  -5.968
  221   1HD2  ASN  28          1HD2      ASN  28  11.712   0.415  -8.232
  222   2HD2  ASN  28          2HD2      ASN  28  12.578   1.000  -9.608
  223    H    GLY  29           H        GLY  29  15.143  -2.367  -4.337
  224   1HA   GLY  29          2HA       GLY  29  17.531  -3.099  -4.345
  225   2HA   GLY  29          1HA       GLY  29  17.873  -1.567  -5.132
  226    H    GLY  30           H        GLY  30  15.463  -0.957  -2.920
  227   1HA   GLY  30          2HA       GLY  30  15.418   0.033  -0.855
  228   2HA   GLY  30          1HA       GLY  30  16.822  -0.947  -0.458
  229    HA   PRO  31           HA       PRO  31  18.645   3.163  -0.020
  230   1HB   PRO  31          2HB       PRO  31  21.049   1.534   0.568
  231   2HB   PRO  31          1HB       PRO  31  20.294   2.816   1.522
  232   1HG   PRO  31          2HG       PRO  31  20.087   0.262   2.258
  233   2HG   PRO  31          1HG       PRO  31  18.728   1.386   2.452
  234   1HD   PRO  31          2HD       PRO  31  19.171  -0.705   0.352
  235   2HD   PRO  31          1HD       PRO  31  17.678  -0.268   1.210
  236    H    SER  32           H        SER  32  19.972   0.447  -1.864
  237    HA   SER  32           HA       SER  32  21.626   2.256  -3.452
  238   1HB   SER  32          2HB       SER  32  22.247  -0.059  -4.534
  239   2HB   SER  32          1HB       SER  32  22.905   0.387  -2.964
  240    HG   SER  32           HG       SER  32  20.799  -1.397  -3.558
  241    H    SER  33           H        SER  33  18.738   2.417  -3.708
  242    HA   SER  33           HA       SER  33  18.214   1.245  -6.337
  243   1HB   SER  33          2HB       SER  33  16.398   0.909  -4.835
  244   2HB   SER  33          1HB       SER  33  16.433   2.586  -4.298
  245    HG   SER  33           HG       SER  33  15.213   3.106  -5.925
  246    H    GLY  34           H        GLY  34  18.479   4.384  -4.719
  247   1HA   GLY  34          2HA       GLY  34  19.622   5.927  -6.525
  248   2HA   GLY  34          1HA       GLY  34  18.028   5.788  -7.246
  249    H    ALA  35           H        ALA  35  16.404   5.899  -5.038
  250    HA   ALA  35           HA       ALA  35  16.929   8.614  -4.013
  251   1HB   ALA  35          1HB       ALA  35  14.800   9.206  -4.433
  252   2HB   ALA  35          2HB       ALA  35  14.158   7.641  -3.928
  253   3HB   ALA  35          3HB       ALA  35  14.827   7.841  -5.548
  254    HA   PRO  36           HA       PRO  36  16.743   7.237   0.175
  255   1HB   PRO  36          2HB       PRO  36  15.129   9.057   1.400
  256   2HB   PRO  36          1HB       PRO  36  16.782   9.418   0.887
  257   1HG   PRO  36          2HG       PRO  36  14.194  10.038  -0.489
  258   2HG   PRO  36          1HG       PRO  36  15.617  11.073  -0.260
  259   1HD   PRO  36          2HD       PRO  36  15.137   9.803  -2.587
  260   2HD   PRO  36          1HD       PRO  36  16.786  10.060  -1.981
  261    HA   PRO  37           HA       PRO  37  13.245   4.675   0.998
  262   1HB   PRO  37          2HB       PRO  37  13.036   4.785   3.720
  263   2HB   PRO  37          1HB       PRO  37  14.276   3.859   2.872
  264   1HG   PRO  37          2HG       PRO  37  14.463   6.569   4.124
  265   2HG   PRO  37          1HG       PRO  37  15.623   5.230   4.177
  266   1HD   PRO  37          2HD       PRO  37  15.951   7.335   2.532
  267   2HD   PRO  37          1HD       PRO  37  16.451   5.696   2.070
  268    HA   PRO  38           HA       PRO  38   9.819   7.559   1.202
  269   1HB   PRO  38          2HB       PRO  38   7.854   5.785   0.653
  270   2HB   PRO  38          1HB       PRO  38   8.962   6.383  -0.587
  271   1HG   PRO  38          2HG       PRO  38   9.018   3.803   0.924
  272   2HG   PRO  38          1HG       PRO  38   9.304   4.094  -0.800
  273   1HD   PRO  38          2HD       PRO  38  11.310   3.746   1.002
  274   2HD   PRO  38          1HD       PRO  38  11.480   4.743  -0.455
  275    H    SER  39           H        SER  39   8.398   8.198   2.761
  276    HA   SER  39           HA       SER  39   8.148   6.459   5.116
  277   1HB   SER  39          2HB       SER  39   9.116   8.898   5.166
  278   2HB   SER  39          1HB       SER  39   7.417   9.366   5.150
  279    HG   SER  39           HG       SER  39   8.841   7.911   7.093
  Start of MODEL   12
    1   1H    HIS   1          1HT       HIS   1 -12.595   6.702  28.974
    2   2H    HIS   1          2HT       HIS   1 -13.534   7.591  27.846
    3   3H    HIS   1          3HT       HIS   1 -13.134   8.283  29.364
    4    HA   HIS   1           HA       HIS   1 -11.795   9.215  27.662
    5   1HB   HIS   1          2HB       HIS   1 -10.990   8.434  30.064
    6   2HB   HIS   1          1HB       HIS   1  -9.955   7.363  29.127
    7    HD1  HIS   1           1HD      HIS   1 -10.002  10.638  30.564
    8    HD2  HIS   1           2HD      HIS   1  -8.364   8.953  27.136
    9    HE1  HIS   1           1HE      HIS   1  -8.205  12.235  29.821
   10    HE2  HIS   1           2HE      HIS   1  -7.169  11.149  27.798
   11    H    GLY   2           H        GLY   2 -12.413   8.253  25.617
   12   1HA   GLY   2          2HA       GLY   2 -10.332   7.160  24.168
   13   2HA   GLY   2          1HA       GLY   2 -11.282   5.790  24.722
   14    H    GLU   3           H        GLU   3 -11.805   8.990  23.223
   15    HA   GLU   3           HA       GLU   3 -13.891   7.761  21.545
   16   1HB   GLU   3          2HB       GLU   3 -13.601  10.430  22.805
   17   2HB   GLU   3          1HB       GLU   3 -14.322  10.395  21.202
   18   1HG   GLU   3          2HG       GLU   3 -16.238   9.537  21.951
   19   2HG   GLU   3          1HG       GLU   3 -15.423   8.397  23.020
   20    H    GLY   4           H        GLY   4 -14.053   8.450  19.322
   21   1HA   GLY   4          2HA       GLY   4 -12.077  10.015  18.035
   22   2HA   GLY   4          1HA       GLY   4 -11.651   8.316  17.908
   23    H    THR   5           H        THR   5 -13.049   6.891  16.769
   24    HA   THR   5           HA       THR   5 -14.490   6.248  15.140
   25    HB   THR   5           HB       THR   5 -15.829   8.945  15.417
   26    HG1  THR   5           1HG      THR   5 -16.207   8.250  17.369
   27   1HG2  THR   5          1HG2      THR   5 -17.116   6.335  14.697
   28   2HG2  THR   5          2HG2      THR   5 -16.464   7.434  13.481
   29   3HG2  THR   5          3HG2      THR   5 -17.765   7.969  14.542
   30    H    PHE   6           H        PHE   6 -13.292   6.055  13.364
   31    HA   PHE   6           HA       PHE   6 -12.506   6.467  11.273
   32   1HB   PHE   6          2HB       PHE   6 -14.724   8.063  11.415
   33   2HB   PHE   6          1HB       PHE   6 -13.467   9.225  11.006
   34    HD1  PHE   6           1HD      PHE   6 -14.523   5.790   9.987
   35    HD2  PHE   6           2HD      PHE   6 -13.134   9.626   8.777
   36    HE1  PHE   6           1HE      PHE   6 -14.652   5.088   7.635
   37    HE2  PHE   6           2HE      PHE   6 -13.260   8.931   6.422
   38    HZ   PHE   6           HZ       PHE   6 -14.022   6.659   5.847
   39    H    THR   7           H        THR   7 -11.320   7.765  13.914
   40    HA   THR   7           HA       THR   7  -9.531   9.695  12.656
   41    HB   THR   7           HB       THR   7  -8.718   9.937  15.078
   42    HG1  THR   7           1HG      THR   7 -11.188   8.710  15.666
   43   1HG2  THR   7          1HG2      THR   7 -10.176  11.598  14.017
   44   2HG2  THR   7          2HG2      THR   7 -10.515  11.397  15.736
   45   3HG2  THR   7          3HG2      THR   7 -11.581  10.666  14.537
   46    H    SER   8           H        SER   8  -9.301   6.844  14.768
   47    HA   SER   8           HA       SER   8  -6.501   6.489  14.224
   48   1HB   SER   8          2HB       SER   8  -7.731   5.849  16.382
   49   2HB   SER   8          1HB       SER   8  -8.314   4.440  15.494
   50    HG   SER   8           HG       SER   8  -6.490   3.615  16.157
   51    H    ASP   9           H        ASP   9  -9.515   4.988  13.170
   52    HA   ASP   9           HA       ASP   9  -8.390   2.843  11.733
   53   1HB   ASP   9          2HB       ASP   9 -10.803   3.054  12.391
   54   2HB   ASP   9          1HB       ASP   9 -10.992   4.257  11.119
   55    H    LEU  10           H        LEU  10  -9.309   6.117  10.745
   56    HA   LEU  10           HA       LEU  10  -8.722   5.839   8.004
   57   1HB   LEU  10          2HB       LEU  10 -10.040   7.691   9.059
   58   2HB   LEU  10          1HB       LEU  10  -8.532   8.361   9.651
   59    HG   LEU  10           HG       LEU  10  -8.381   7.908   6.801
   60   1HD1  LEU  10          1HD1      LEU  10 -10.013   9.646   6.145
   61   2HD1  LEU  10          2HD1      LEU  10 -10.653   9.623   7.788
   62   3HD1  LEU  10          3HD1      LEU  10 -10.771   8.184   6.776
   63   1HD2  LEU  10          1HD2      LEU  10  -6.936   9.388   8.166
   64   2HD2  LEU  10          2HD2      LEU  10  -8.319  10.456   8.415
   65   3HD2  LEU  10          3HD2      LEU  10  -7.675  10.211   6.792
   66    H    SER  11           H        SER  11  -6.732   6.760  10.779
   67    HA   SER  11           HA       SER  11  -4.438   7.577   9.373
   68   1HB   SER  11          2HB       SER  11  -5.035   7.760  11.917
   69   2HB   SER  11          1HB       SER  11  -4.233   6.194  12.029
   70    HG   SER  11           HG       SER  11  -2.349   7.097  11.509
   71    H    LYS  12           H        LYS  12  -5.502   4.407  10.506
   72    HA   LYS  12           HA       LYS  12  -3.153   2.971   9.897
   73   1HB   LYS  12          2HB       LYS  12  -5.623   2.375  11.017
   74   2HB   LYS  12          1HB       LYS  12  -5.610   1.438   9.529
   75   1HG   LYS  12          2HG       LYS  12  -3.086   1.110  10.771
   76   2HG   LYS  12          1HG       LYS  12  -4.331   0.879  12.000
   77   1HD   LYS  12          2HD       LYS  12  -5.468  -0.713  10.464
   78   2HD   LYS  12          1HD       LYS  12  -4.109  -0.548   9.351
   79   1HE   LYS  12          2HE       LYS  12  -3.742  -1.386  12.213
   80   2HE   LYS  12          1HE       LYS  12  -4.097  -2.549  10.936
   81   1HZ   LYS  12          1HZ       LYS  12  -1.737  -2.414  11.284
   82   2HZ   LYS  12          2HZ       LYS  12  -1.746  -0.738  11.065
   83   3HZ   LYS  12          3HZ       LYS  12  -2.101  -1.762   9.766
   84    H    GLN  13           H        GLN  13  -6.041   3.725   7.982
   85    HA   GLN  13           HA       GLN  13  -5.422   2.162   5.724
   86   1HB   GLN  13          2HB       GLN  13  -7.105   4.630   6.114
   87   2HB   GLN  13          1HB       GLN  13  -6.902   3.903   4.527
   88   1HG   GLN  13          2HG       GLN  13  -7.692   2.054   6.673
   89   2HG   GLN  13          1HG       GLN  13  -8.882   3.281   6.243
   90   1HE2  GLN  13          1HE2      GLN  13  -7.817   0.232   5.568
   91   2HE2  GLN  13          2HE2      GLN  13  -8.479   0.049   3.982
   92    H    MET  14           H        MET  14  -4.730   5.577   6.464
   93    HA   MET  14           HA       MET  14  -3.404   6.169   4.045
   94   1HB   MET  14          2HB       MET  14  -3.207   7.416   6.790
   95   2HB   MET  14          1HB       MET  14  -2.391   8.066   5.375
   96   1HG   MET  14          2HG       MET  14  -5.271   7.577   5.055
   97   2HG   MET  14          1HG       MET  14  -4.835   8.831   6.214
   98   1HE   MET  14          1HE       MET  14  -6.609   9.298   3.889
   99   2HE   MET  14          2HE       MET  14  -5.978  10.523   2.790
  100   3HE   MET  14          3HE       MET  14  -6.071  10.854   4.519
  101    H    GLU  15           H        GLU  15  -2.264   4.902   7.141
  102    HA   GLU  15           HA       GLU  15   0.501   5.038   6.610
  103   1HB   GLU  15          2HB       GLU  15  -1.237   3.814   8.617
  104   2HB   GLU  15          1HB       GLU  15   0.203   2.862   8.286
  105   1HG   GLU  15          2HG       GLU  15   1.419   4.214   9.537
  106   2HG   GLU  15          1HG       GLU  15   0.962   5.592   8.538
  107    H    GLU  16           H        GLU  16  -1.941   2.582   5.909
  108    HA   GLU  16           HA       GLU  16  -0.263   0.485   5.141
  109   1HB   GLU  16          2HB       GLU  16  -3.056   1.078   5.030
  110   2HB   GLU  16          1HB       GLU  16  -2.560   0.468   3.458
  111   1HG   GLU  16          2HG       GLU  16  -3.357  -1.303   4.954
  112   2HG   GLU  16          1HG       GLU  16  -1.680  -1.536   4.459
  113    H    GLU  17           H        GLU  17  -1.501   3.233   3.275
  114    HA   GLU  17           HA       GLU  17  -0.549   2.418   0.752
  115   1HB   GLU  17          2HB       GLU  17  -1.584   4.899   1.948
  116   2HB   GLU  17          1HB       GLU  17  -0.482   5.145   0.600
  117   1HG   GLU  17          2HG       GLU  17  -2.918   3.383   0.499
  118   2HG   GLU  17          1HG       GLU  17  -2.874   5.062  -0.038
  119    H    ALA  18           H        ALA  18   0.947   4.268   3.359
  120    HA   ALA  18           HA       ALA  18   3.285   5.048   1.988
  121   1HB   ALA  18          1HB       ALA  18   3.047   4.516   4.946
  122   2HB   ALA  18          2HB       ALA  18   2.492   5.994   4.161
  123   3HB   ALA  18          3HB       ALA  18   4.204   5.572   4.133
  124    H    VAL  19           H        VAL  19   2.461   2.143   3.831
  125    HA   VAL  19           HA       VAL  19   5.026   0.975   3.898
  126    HB   VAL  19           HB       VAL  19   2.399  -0.522   3.787
  127   1HG1  VAL  19          1HG1      VAL  19   4.751  -1.658   3.585
  128   2HG1  VAL  19          2HG1      VAL  19   3.505  -2.359   4.615
  129   3HG1  VAL  19          3HG1      VAL  19   4.800  -1.397   5.327
  130   1HG2  VAL  19          1HG2      VAL  19   1.859   0.467   5.710
  131   2HG2  VAL  19          2HG2      VAL  19   3.426   1.268   5.813
  132   3HG2  VAL  19          3HG2      VAL  19   3.228  -0.367   6.442
  133    H    ARG  20           H        ARG  20   2.368   0.735   1.553
  134    HA   ARG  20           HA       ARG  20   3.460  -1.204  -0.137
  135   1HB   ARG  20          2HB       ARG  20   1.123   0.070  -0.109
  136   2HB   ARG  20          1HB       ARG  20   1.918   1.059  -1.325
  137   1HG   ARG  20          2HG       ARG  20   2.335  -1.722  -1.899
  138   2HG   ARG  20          1HG       ARG  20   0.615  -1.390  -1.688
  139   1HD   ARG  20          2HD       ARG  20   0.493  -0.161  -3.567
  140   2HD   ARG  20          1HD       ARG  20   2.056   0.603  -3.284
  141    HE   ARG  20           HE       ARG  20   2.066  -2.174  -4.174
  142   1HH1  ARG  20          1HH1      ARG  20   2.472   1.208  -5.011
  143   2HH1  ARG  20          2HH1      ARG  20   3.339   0.866  -6.469
  144   1HH2  ARG  20          1HH2      ARG  20   3.204  -2.611  -6.098
  145   2HH2  ARG  20          2HH2      ARG  20   3.753  -1.299  -7.087
  146    H    LEU  21           H        LEU  21   3.877   2.326  -0.126
  147    HA   LEU  21           HA       LEU  21   5.455   2.480  -2.471
  148   1HB   LEU  21          2HB       LEU  21   4.481   4.267  -0.481
  149   2HB   LEU  21          1HB       LEU  21   6.209   4.524  -0.620
  150    HG   LEU  21           HG       LEU  21   4.688   4.406  -3.161
  151   1HD1  LEU  21          1HD1      LEU  21   4.535   6.784  -1.316
  152   2HD1  LEU  21          2HD1      LEU  21   3.194   5.713  -1.724
  153   3HD1  LEU  21          3HD1      LEU  21   3.940   6.706  -2.975
  154   1HD2  LEU  21          1HD2      LEU  21   6.316   5.913  -3.902
  155   2HD2  LEU  21          2HD2      LEU  21   7.193   4.825  -2.826
  156   3HD2  LEU  21          3HD2      LEU  21   6.716   6.426  -2.262
  157    H    PHE  22           H        PHE  22   6.282   2.205   0.969
  158    HA   PHE  22           HA       PHE  22   9.082   2.303   0.692
  159   1HB   PHE  22          2HB       PHE  22   8.112   2.605   2.863
  160   2HB   PHE  22          1HB       PHE  22   7.293   1.051   2.784
  161    HD1  PHE  22           1HD      PHE  22   8.211  -0.721   3.907
  162    HD2  PHE  22           2HD      PHE  22  10.743   2.471   2.675
  163    HE1  PHE  22           1HE      PHE  22  10.106  -1.781   5.066
  164    HE2  PHE  22           2HE      PHE  22  12.641   1.417   3.833
  165    HZ   PHE  22           HZ       PHE  22  12.324  -0.710   5.032
  166    H    ILE  23           H        ILE  23   6.776  -0.384   0.599
  167    HA   ILE  23           HA       ILE  23   8.606  -2.510   0.470
  168    HB   ILE  23           HB       ILE  23   5.794  -2.223  -0.585
  169   1HG1  ILE  23          2HG1      ILE  23   6.696  -4.036   1.629
  170   2HG1  ILE  23          1HG1      ILE  23   6.453  -2.320   1.945
  171   1HG2  ILE  23          1HG2      ILE  23   5.762  -4.655  -0.905
  172   2HG2  ILE  23          2HG2      ILE  23   7.487  -4.718  -0.541
  173   3HG2  ILE  23          3HG2      ILE  23   6.920  -3.864  -1.975
  174   1HD1  ILE  23          1HD1      ILE  23   4.187  -2.453   1.663
  175   2HD1  ILE  23          2HD1      ILE  23   4.534  -4.044   2.340
  176   3HD1  ILE  23          3HD1      ILE  23   4.288  -3.859   0.603
  177    H    GLU  24           H        GLU  24   7.062  -0.599  -2.104
  178    HA   GLU  24           HA       GLU  24   8.220  -1.947  -4.291
  179   1HB   GLU  24          2HB       GLU  24   6.266  -0.362  -4.381
  180   2HB   GLU  24          1HB       GLU  24   7.403   0.963  -4.180
  181   1HG   GLU  24          2HG       GLU  24   8.244   0.755  -6.291
  182   2HG   GLU  24          1HG       GLU  24   7.869  -0.964  -6.393
  183    H    TRP  25           H        TRP  25   9.278   0.803  -2.350
  184    HA   TRP  25           HA       TRP  25  11.503   1.562  -3.889
  185   1HB   TRP  25          2HB       TRP  25  10.642   3.049  -2.207
  186   2HB   TRP  25          1HB       TRP  25  10.907   1.856  -0.941
  187    HD1  TRP  25           HD       TRP  25  12.967   4.087  -3.345
  188    HE1  TRP  25           1HE      TRP  25  15.205   4.633  -2.195
  189    HE3  TRP  25           3HE      TRP  25  12.438   1.224   0.853
  190    HZ2  TRP  25           2HZ      TRP  25  16.567   3.939   0.176
  191    HZ3  TRP  25           3HZ      TRP  25  14.257   1.218   2.513
  192    HH2  TRP  25           HH       TRP  25  16.276   2.549   2.181
  193    H    LEU  26           H        LEU  26  11.115  -0.856  -1.337
  194    HA   LEU  26           HA       LEU  26  13.900  -1.458  -1.127
  195   1HB   LEU  26          2HB       LEU  26  11.400  -2.871  -0.223
  196   2HB   LEU  26          1HB       LEU  26  12.991  -3.571   0.005
  197    HG   LEU  26           HG       LEU  26  12.017  -0.957   1.164
  198   1HD1  LEU  26          1HD1      LEU  26  11.014  -2.616   2.434
  199   2HD1  LEU  26          2HD1      LEU  26  12.513  -2.308   3.310
  200   3HD1  LEU  26          3HD1      LEU  26  12.380  -3.719   2.259
  201   1HD2  LEU  26          1HD2      LEU  26  14.141  -0.861   2.323
  202   2HD2  LEU  26          2HD2      LEU  26  14.411  -0.908   0.581
  203   3HD2  LEU  26          3HD2      LEU  26  14.662  -2.360   1.551
  204    H    LYS  27           H        LYS  27  11.228  -2.658  -3.058
  205    HA   LYS  27           HA       LYS  27  12.454  -5.011  -4.025
  206   1HB   LYS  27          2HB       LYS  27  10.206  -3.286  -5.039
  207   2HB   LYS  27          1HB       LYS  27  10.756  -4.694  -5.935
  208   1HG   LYS  27          2HG       LYS  27  10.120  -6.167  -4.207
  209   2HG   LYS  27          1HG       LYS  27   9.899  -4.844  -3.061
  210   1HD   LYS  27          2HD       LYS  27   7.995  -4.028  -4.326
  211   2HD   LYS  27          1HD       LYS  27   8.243  -5.277  -5.547
  212   1HE   LYS  27          2HE       LYS  27   7.776  -5.962  -2.660
  213   2HE   LYS  27          1HE       LYS  27   6.436  -5.670  -3.768
  214   1HZ   LYS  27          1HZ       LYS  27   6.870  -7.997  -3.703
  215   2HZ   LYS  27          2HZ       LYS  27   8.520  -7.772  -4.001
  216   3HZ   LYS  27          3HZ       LYS  27   7.390  -7.430  -5.211
  217    H    ASN  28           H        ASN  28  12.568  -1.649  -5.112
  218    HA   ASN  28           HA       ASN  28  13.910  -2.292  -7.574
  219   1HB   ASN  28          2HB       ASN  28  14.016   0.077  -7.965
  220   2HB   ASN  28          1HB       ASN  28  12.425  -0.306  -7.321
  221   1HD2  ASN  28          1HD2      ASN  28  11.858   1.525  -6.334
  222   2HD2  ASN  28          2HD2      ASN  28  12.771   2.308  -5.093
  223    H    GLY  29           H        GLY  29  14.987  -2.309  -4.426
  224   1HA   GLY  29          2HA       GLY  29  17.427  -3.002  -4.410
  225   2HA   GLY  29          1HA       GLY  29  17.705  -1.462  -5.205
  226    H    GLY  30           H        GLY  30  15.383  -0.469  -3.311
  227   1HA   GLY  30          2HA       GLY  30  15.232   0.567  -1.278
  228   2HA   GLY  30          1HA       GLY  30  16.412  -0.591  -0.688
  229    HA   PRO  31           HA       PRO  31  18.750   3.247  -0.195
  230   1HB   PRO  31          2HB       PRO  31  20.746   1.387   0.945
  231   2HB   PRO  31          1HB       PRO  31  20.005   2.822   1.661
  232   1HG   PRO  31          2HG       PRO  31  19.333   0.369   2.484
  233   2HG   PRO  31          1HG       PRO  31  18.126   1.662   2.364
  234   1HD   PRO  31          2HD       PRO  31  18.660  -0.610   0.479
  235   2HD   PRO  31          1HD       PRO  31  17.107   0.045   1.046
  236    H    SER  32           H        SER  32  19.912   0.209  -1.582
  237    HA   SER  32           HA       SER  32  22.144   1.550  -2.885
  238   1HB   SER  32          2HB       SER  32  22.458  -0.891  -3.785
  239   2HB   SER  32          1HB       SER  32  22.857  -0.516  -2.113
  240    HG   SER  32           HG       SER  32  21.248  -1.723  -1.457
  241    H    SER  33           H        SER  33  19.469   2.313  -3.710
  242    HA   SER  33           HA       SER  33  19.416   1.261  -6.459
  243   1HB   SER  33          2HB       SER  33  17.352   0.937  -5.038
  244   2HB   SER  33          1HB       SER  33  17.155   2.691  -5.053
  245    HG   SER  33           HG       SER  33  16.720   0.836  -7.055
  246    H    GLY  34           H        GLY  34  19.633   4.158  -4.504
  247   1HA   GLY  34          2HA       GLY  34  20.875   6.027  -5.446
  248   2HA   GLY  34          1HA       GLY  34  20.071   5.712  -6.974
  249    H    ALA  35           H        ALA  35  18.466   5.722  -3.837
  250    HA   ALA  35           HA       ALA  35  17.511   8.392  -3.964
  251   1HB   ALA  35          1HB       ALA  35  15.442   6.315  -4.656
  252   2HB   ALA  35          2HB       ALA  35  16.240   7.334  -5.856
  253   3HB   ALA  35          3HB       ALA  35  15.240   8.066  -4.600
  254    HA   PRO  36           HA       PRO  36  16.714   7.394   0.271
  255   1HB   PRO  36          2HB       PRO  36  14.944   9.350   0.924
  256   2HB   PRO  36          1HB       PRO  36  16.669   9.650   0.691
  257   1HG   PRO  36          2HG       PRO  36  14.394  10.101  -1.201
  258   2HG   PRO  36          1HG       PRO  36  15.791  11.140  -0.861
  259   1HD   PRO  36          2HD       PRO  36  15.650   9.548  -3.049
  260   2HD   PRO  36          1HD       PRO  36  17.184   9.931  -2.241
  261    HA   PRO  37           HA       PRO  37  13.047   4.948   0.563
  262   1HB   PRO  37          2HB       PRO  37  12.508   5.064   3.227
  263   2HB   PRO  37          1HB       PRO  37  13.844   4.126   2.552
  264   1HG   PRO  37          2HG       PRO  37  13.885   6.839   3.814
  265   2HG   PRO  37          1HG       PRO  37  15.012   5.486   4.030
  266   1HD   PRO  37          2HD       PRO  37  15.568   7.589   2.424
  267   2HD   PRO  37          1HD       PRO  37  16.141   5.946   2.071
  268    HA   PRO  38           HA       PRO  38   9.643   7.814   0.324
  269   1HB   PRO  38          2HB       PRO  38   7.630   6.008   0.094
  270   2HB   PRO  38          1HB       PRO  38   8.743   6.375  -1.230
  271   1HG   PRO  38          2HG       PRO  38   8.763   4.081   0.688
  272   2HG   PRO  38          1HG       PRO  38   9.055   4.080  -1.061
  273   1HD   PRO  38          2HD       PRO  38  11.058   3.994   0.765
  274   2HD   PRO  38          1HD       PRO  38  11.238   4.765  -0.823
  275    H    SER  39           H        SER  39   9.002   8.905   2.076
  276    HA   SER  39           HA       SER  39   8.283   7.490   4.517
  277   1HB   SER  39          2HB       SER  39   8.107   9.851   5.451
  278   2HB   SER  39          1HB       SER  39   9.706   9.359   4.897
  279    HG   SER  39           HG       SER  39   9.627  10.822   3.378
  Start of MODEL   13
    1   1H    HIS   1          1HT       HIS   1 -20.452  10.453   3.937
    2   2H    HIS   1          2HT       HIS   1 -20.762   9.411   2.607
    3   3H    HIS   1          3HT       HIS   1 -21.812   9.412   3.964
    4    HA   HIS   1           HA       HIS   1 -22.874  10.578   2.274
    5   1HB   HIS   1          2HB       HIS   1 -22.519  11.511   4.756
    6   2HB   HIS   1          1HB       HIS   1 -21.775  12.841   3.875
    7    HD1  HIS   1           1HD      HIS   1 -24.895  10.898   2.909
    8    HD2  HIS   1           2HD      HIS   1 -23.726  14.733   4.004
    9    HE1  HIS   1           1HE      HIS   1 -26.941  12.331   2.626
   10    HE2  HIS   1           2HE      HIS   1 -26.238  14.623   3.401
   11    H    GLY   2           H        GLY   2 -19.760  12.219   2.938
   12   1HA   GLY   2          2HA       GLY   2 -19.649  12.923   0.070
   13   2HA   GLY   2          1HA       GLY   2 -19.238  14.091   1.316
   14    H    GLU   3           H        GLU   3 -17.115  14.393   1.427
   15    HA   GLU   3           HA       GLU   3 -15.340  12.114   1.665
   16   1HB   GLU   3          2HB       GLU   3 -15.680  13.084  -0.851
   17   2HB   GLU   3          1HB       GLU   3 -14.347  14.087  -0.295
   18   1HG   GLU   3          2HG       GLU   3 -13.268  12.304  -1.273
   19   2HG   GLU   3          1HG       GLU   3 -13.273  11.858   0.432
   20    H    GLY   4           H        GLY   4 -13.390  12.577   2.681
   21   1HA   GLY   4          2HA       GLY   4 -11.788  13.856   3.771
   22   2HA   GLY   4          1HA       GLY   4 -12.631  15.308   3.251
   23    H    THR   5           H        THR   5 -14.736  13.091   4.734
   24    HA   THR   5           HA       THR   5 -14.559  14.585   7.267
   25    HB   THR   5           HB       THR   5 -17.005  13.989   7.517
   26    HG1  THR   5           1HG      THR   5 -17.544  12.483   6.125
   27   1HG2  THR   5          1HG2      THR   5 -16.130  16.200   6.571
   28   2HG2  THR   5          2HG2      THR   5 -17.818  15.775   6.285
   29   3HG2  THR   5          3HG2      THR   5 -16.626  15.561   5.003
   30    H    PHE   6           H        PHE   6 -12.857  12.554   7.138
   31    HA   PHE   6           HA       PHE   6 -14.151  10.391   8.663
   32   1HB   PHE   6          2HB       PHE   6 -11.611  10.011   7.090
   33   2HB   PHE   6          1HB       PHE   6 -12.709   8.785   7.711
   34    HD1  PHE   6           1HD      PHE   6 -11.644  10.381   4.835
   35    HD2  PHE   6           2HD      PHE   6 -15.204   9.053   6.749
   36    HE1  PHE   6           1HE      PHE   6 -12.783  10.310   2.656
   37    HE2  PHE   6           2HE      PHE   6 -16.351   8.982   4.575
   38    HZ   PHE   6           HZ       PHE   6 -15.142   9.611   2.527
   39    H    THR   7           H        THR   7 -10.917  11.748   8.097
   40    HA   THR   7           HA       THR   7  -9.288  12.481   9.486
   41    HB   THR   7           HB       THR   7 -11.402  12.161  11.609
   42    HG1  THR   7           1HG      THR   7 -12.031  13.966  10.781
   43   1HG2  THR   7          1HG2      THR   7  -8.595  12.628  11.945
   44   2HG2  THR   7          2HG2      THR   7  -9.861  12.461  13.163
   45   3HG2  THR   7          3HG2      THR   7  -9.523  14.039  12.453
   46    H    SER   8           H        SER   8 -11.089   9.877  11.106
   47    HA   SER   8           HA       SER   8  -8.668   8.660  12.079
   48   1HB   SER   8          2HB       SER   8 -11.552   7.757  12.179
   49   2HB   SER   8          1HB       SER   8 -10.218   6.891  12.940
   50    HG   SER   8           HG       SER   8 -10.044   8.420  14.425
   51    H    ASP   9           H        ASP   9 -11.074   7.933   9.589
   52    HA   ASP   9           HA       ASP   9 -10.035   5.431   8.820
   53   1HB   ASP   9          2HB       ASP   9 -12.298   6.222   8.202
   54   2HB   ASP   9          1HB       ASP   9 -11.572   7.410   7.125
   55    H    LEU  10           H        LEU  10  -9.422   8.698   7.606
   56    HA   LEU  10           HA       LEU  10  -7.721   7.981   5.488
   57   1HB   LEU  10          2HB       LEU  10  -8.658  10.376   6.677
   58   2HB   LEU  10          1HB       LEU  10  -6.911  10.487   6.616
   59    HG   LEU  10           HG       LEU  10  -7.923  11.493   4.640
   60   1HD1  LEU  10          1HD1      LEU  10  -5.719  10.322   4.515
   61   2HD1  LEU  10          2HD1      LEU  10  -6.579  10.440   2.980
   62   3HD1  LEU  10          3HD1      LEU  10  -6.567   8.917   3.871
   63   1HD2  LEU  10          1HD2      LEU  10  -9.889   9.770   4.763
   64   2HD2  LEU  10          2HD2      LEU  10  -8.857   8.824   3.690
   65   3HD2  LEU  10          3HD2      LEU  10  -9.383  10.437   3.210
   66    H    SER  11           H        SER  11  -7.077   8.612   8.908
   67    HA   SER  11           HA       SER  11  -4.272   8.643   8.788
   68   1HB   SER  11          2HB       SER  11  -6.195   7.940  11.003
   69   2HB   SER  11          1HB       SER  11  -4.448   7.937  11.240
   70    HG   SER  11           HG       SER  11  -4.957   9.962  11.751
   71    H    LYS  12           H        LYS  12  -6.569   5.981   9.117
   72    HA   LYS  12           HA       LYS  12  -4.619   3.958   9.585
   73   1HB   LYS  12          2HB       LYS  12  -7.300   4.036   9.834
   74   2HB   LYS  12          1HB       LYS  12  -7.182   3.223   8.280
   75   1HG   LYS  12          2HG       LYS  12  -5.424   2.166  10.387
   76   2HG   LYS  12          1HG       LYS  12  -7.155   1.964  10.663
   77   1HD   LYS  12          2HD       LYS  12  -6.967   1.223   8.063
   78   2HD   LYS  12          1HD       LYS  12  -5.393   0.704   8.669
   79   1HE   LYS  12          2HE       LYS  12  -6.678  -0.404  10.572
   80   2HE   LYS  12          1HE       LYS  12  -8.125  -0.132   9.602
   81   1HZ   LYS  12          1HZ       LYS  12  -7.166  -1.446   7.834
   82   2HZ   LYS  12          2HZ       LYS  12  -7.185  -2.347   9.265
   83   3HZ   LYS  12          3HZ       LYS  12  -5.738  -1.665   8.717
   84    H    GLN  13           H        GLN  13  -6.401   4.978   6.672
   85    HA   GLN  13           HA       GLN  13  -5.285   3.119   4.896
   86   1HB   GLN  13          2HB       GLN  13  -6.864   5.570   4.704
   87   2HB   GLN  13          1HB       GLN  13  -5.783   5.343   3.337
   88   1HG   GLN  13          2HG       GLN  13  -8.054   4.411   3.005
   89   2HG   GLN  13          1HG       GLN  13  -6.757   3.232   2.820
   90   1HE2  GLN  13          1HE2      GLN  13  -9.115   4.465   5.156
   91   2HE2  GLN  13          2HE2      GLN  13  -9.344   2.965   5.981
   92    H    MET  14           H        MET  14  -4.130   6.281   5.958
   93    HA   MET  14           HA       MET  14  -2.119   6.698   4.071
   94   1HB   MET  14          2HB       MET  14  -2.475   7.563   6.923
   95   2HB   MET  14          1HB       MET  14  -0.993   7.951   6.059
   96   1HG   MET  14          2HG       MET  14  -3.619   8.615   4.822
   97   2HG   MET  14          1HG       MET  14  -2.986   9.629   6.116
   98   1HE   MET  14          1HE       MET  14  -1.681   8.192   2.382
   99   2HE   MET  14          2HE       MET  14  -2.108   9.801   1.801
  100   3HE   MET  14          3HE       MET  14  -3.293   8.840   2.688
  101    H    GLU  15           H        GLU  15  -2.085   4.806   7.060
  102    HA   GLU  15           HA       GLU  15   0.672   4.261   7.145
  103   1HB   GLU  15          2HB       GLU  15  -1.660   2.639   8.181
  104   2HB   GLU  15          1HB       GLU  15   0.023   2.323   8.575
  105   1HG   GLU  15          2HG       GLU  15  -1.326   4.944   9.150
  106   2HG   GLU  15          1HG       GLU  15  -1.297   3.601  10.291
  107    H    GLU  16           H        GLU  16  -2.018   2.421   5.711
  108    HA   GLU  16           HA       GLU  16  -0.499   0.241   4.790
  109   1HB   GLU  16          2HB       GLU  16  -3.107   1.407   3.816
  110   2HB   GLU  16          1HB       GLU  16  -2.423  -0.080   3.176
  111   1HG   GLU  16          2HG       GLU  16  -2.968  -1.283   5.003
  112   2HG   GLU  16          1HG       GLU  16  -2.691   0.064   6.109
  113    H    GLU  17           H        GLU  17  -1.450   3.260   3.170
  114    HA   GLU  17           HA       GLU  17  -0.362   2.686   0.651
  115   1HB   GLU  17          2HB       GLU  17  -0.858   5.308   2.056
  116   2HB   GLU  17          1HB       GLU  17  -0.300   5.206   0.392
  117   1HG   GLU  17          2HG       GLU  17  -2.306   4.034  -0.252
  118   2HG   GLU  17          1HG       GLU  17  -2.854   3.993   1.423
  119    H    ALA  18           H        ALA  18   1.098   4.094   3.539
  120    HA   ALA  18           HA       ALA  18   3.550   4.860   2.353
  121   1HB   ALA  18          1HB       ALA  18   4.318   5.297   4.514
  122   2HB   ALA  18          2HB       ALA  18   3.276   4.072   5.235
  123   3HB   ALA  18          3HB       ALA  18   2.579   5.569   4.616
  124    H    VAL  19           H        VAL  19   2.499   1.874   3.964
  125    HA   VAL  19           HA       VAL  19   5.011   0.588   4.000
  126    HB   VAL  19           HB       VAL  19   2.272  -0.692   3.828
  127   1HG1  VAL  19          1HG1      VAL  19   3.313  -2.647   3.784
  128   2HG1  VAL  19          2HG1      VAL  19   4.127  -2.252   5.298
  129   3HG1  VAL  19          3HG1      VAL  19   4.876  -1.832   3.759
  130   1HG2  VAL  19          1HG2      VAL  19   1.980  -0.381   6.038
  131   2HG2  VAL  19          2HG2      VAL  19   3.121   0.946   5.817
  132   3HG2  VAL  19          3HG2      VAL  19   3.688  -0.618   6.402
  133    H    ARG  20           H        ARG  20   2.407   0.652   1.588
  134    HA   ARG  20           HA       ARG  20   3.462  -1.244  -0.190
  135   1HB   ARG  20          2HB       ARG  20   1.418   0.864  -0.277
  136   2HB   ARG  20          1HB       ARG  20   2.167   0.537  -1.834
  137   1HG   ARG  20          2HG       ARG  20   1.590  -1.969  -0.705
  138   2HG   ARG  20          1HG       ARG  20   0.171  -0.956  -0.428
  139   1HD   ARG  20          2HD       ARG  20   1.530  -1.274  -3.101
  140   2HD   ARG  20          1HD       ARG  20   0.138  -2.222  -2.583
  141    HE   ARG  20           HE       ARG  20   0.162   0.565  -3.383
  142   1HH1  ARG  20          1HH1      ARG  20  -1.647  -2.023  -1.858
  143   2HH1  ARG  20          2HH1      ARG  20  -3.179  -1.253  -2.095
  144   1HH2  ARG  20          1HH2      ARG  20  -1.859   1.571  -3.684
  145   2HH2  ARG  20          2HH2      ARG  20  -3.300   0.785  -3.130
  146    H    LEU  21           H        LEU  21   3.935   2.281  -0.001
  147    HA   LEU  21           HA       LEU  21   5.564   2.509  -2.301
  148   1HB   LEU  21          2HB       LEU  21   4.802   4.199  -0.035
  149   2HB   LEU  21          1HB       LEU  21   6.423   4.522  -0.623
  150    HG   LEU  21           HG       LEU  21   4.135   4.400  -2.551
  151   1HD1  LEU  21          1HD1      LEU  21   3.684   6.731  -2.246
  152   2HD1  LEU  21          2HD1      LEU  21   4.942   6.863  -1.019
  153   3HD1  LEU  21          3HD1      LEU  21   3.489   5.915  -0.695
  154   1HD2  LEU  21          1HD2      LEU  21   6.728   5.942  -2.500
  155   2HD2  LEU  21          2HD2      LEU  21   5.540   5.952  -3.805
  156   3HD2  LEU  21          3HD2      LEU  21   6.416   4.470  -3.421
  157    H    PHE  22           H        PHE  22   6.340   2.049   1.133
  158    HA   PHE  22           HA       PHE  22   9.139   2.112   0.885
  159   1HB   PHE  22          2HB       PHE  22   8.148   2.312   3.060
  160   2HB   PHE  22          1HB       PHE  22   7.325   0.767   2.894
  161    HD1  PHE  22           1HD      PHE  22   8.223  -1.058   3.933
  162    HD2  PHE  22           2HD      PHE  22  10.785   2.172   2.873
  163    HE1  PHE  22           1HE      PHE  22  10.107  -2.189   5.049
  164    HE2  PHE  22           2HE      PHE  22  12.671   1.049   3.984
  165    HZ   PHE  22           HZ       PHE  22  12.333  -1.133   5.073
  166    H    ILE  23           H        ILE  23   6.796  -0.533   0.635
  167    HA   ILE  23           HA       ILE  23   8.598  -2.676   0.403
  168    HB   ILE  23           HB       ILE  23   5.780  -2.285  -0.601
  169   1HG1  ILE  23          2HG1      ILE  23   6.728  -4.268   1.450
  170   2HG1  ILE  23          1HG1      ILE  23   6.456  -2.585   1.893
  171   1HG2  ILE  23          1HG2      ILE  23   5.724  -4.708  -1.087
  172   2HG2  ILE  23          2HG2      ILE  23   7.468  -4.772  -0.834
  173   3HG2  ILE  23          3HG2      ILE  23   6.804  -3.814  -2.157
  174   1HD1  ILE  23          1HD1      ILE  23   4.240  -3.765   0.414
  175   2HD1  ILE  23          2HD1      ILE  23   4.245  -2.839   1.914
  176   3HD1  ILE  23          3HD1      ILE  23   4.584  -4.569   1.946
  177    H    GLU  24           H        GLU  24   7.055  -0.653  -2.092
  178    HA   GLU  24           HA       GLU  24   8.206  -1.899  -4.336
  179   1HB   GLU  24          2HB       GLU  24   6.272  -0.271  -4.334
  180   2HB   GLU  24          1HB       GLU  24   7.443   1.019  -4.105
  181   1HG   GLU  24          2HG       GLU  24   6.800   0.843  -6.432
  182   2HG   GLU  24          1HG       GLU  24   8.504   0.445  -6.225
  183    H    TRP  25           H        TRP  25   9.316   0.703  -2.243
  184    HA   TRP  25           HA       TRP  25  11.539   1.527  -3.765
  185   1HB   TRP  25          2HB       TRP  25  10.664   2.946  -2.031
  186   2HB   TRP  25          1HB       TRP  25  10.951   1.714  -0.808
  187    HD1  TRP  25           HD       TRP  25  12.982   4.012  -3.177
  188    HE1  TRP  25           1HE      TRP  25  15.216   4.556  -2.025
  189    HE3  TRP  25           3HE      TRP  25  12.490   1.080   0.982
  190    HZ2  TRP  25           2HZ      TRP  25  16.589   3.843   0.331
  191    HZ3  TRP  25           3HZ      TRP  25  14.311   1.069   2.637
  192    HH2  TRP  25           HH       TRP  25  16.318   2.422   2.316
  193    H    LEU  26           H        LEU  26  11.159  -0.963  -1.273
  194    HA   LEU  26           HA       LEU  26  13.942  -1.561  -1.090
  195   1HB   LEU  26          2HB       LEU  26  11.454  -3.022  -0.244
  196   2HB   LEU  26          1HB       LEU  26  13.049  -3.723  -0.041
  197    HG   LEU  26           HG       LEU  26  12.045  -1.169   1.218
  198   1HD1  LEU  26          1HD1      LEU  26  11.097  -2.863   2.461
  199   2HD1  LEU  26          2HD1      LEU  26  12.626  -2.612   3.301
  200   3HD1  LEU  26          3HD1      LEU  26  12.445  -3.966   2.186
  201   1HD2  LEU  26          1HD2      LEU  26  14.430  -1.039   0.616
  202   2HD2  LEU  26          2HD2      LEU  26  14.724  -2.525   1.521
  203   3HD2  LEU  26          3HD2      LEU  26  14.181  -1.073   2.363
  204    H    LYS  27           H        LYS  27  11.293  -2.727  -3.077
  205    HA   LYS  27           HA       LYS  27  12.595  -5.025  -4.100
  206   1HB   LYS  27          2HB       LYS  27  10.260  -3.380  -5.038
  207   2HB   LYS  27          1HB       LYS  27  10.854  -4.748  -5.970
  208   1HG   LYS  27          2HG       LYS  27  10.605  -6.019  -3.699
  209   2HG   LYS  27          1HG       LYS  27   9.494  -4.703  -3.321
  210   1HD   LYS  27          2HD       LYS  27   9.072  -5.831  -5.978
  211   2HD   LYS  27          1HD       LYS  27   8.865  -7.013  -4.685
  212   1HE   LYS  27          2HE       LYS  27   6.752  -6.162  -4.746
  213   2HE   LYS  27          1HE       LYS  27   7.478  -5.038  -3.598
  214   1HZ   LYS  27          1HZ       LYS  27   6.343  -3.714  -5.134
  215   2HZ   LYS  27          2HZ       LYS  27   6.897  -4.600  -6.465
  216   3HZ   LYS  27          3HZ       LYS  27   7.964  -3.605  -5.610
  217    H    ASN  28           H        ASN  28  12.552  -1.640  -5.120
  218    HA   ASN  28           HA       ASN  28  13.854  -2.173  -7.624
  219   1HB   ASN  28          2HB       ASN  28  13.928   0.213  -7.935
  220   2HB   ASN  28          1HB       ASN  28  12.355  -0.216  -7.275
  221   1HD2  ASN  28          1HD2      ASN  28  11.827   1.642  -6.287
  222   2HD2  ASN  28          2HD2      ASN  28  12.726   2.359  -4.997
  223    H    GLY  29           H        GLY  29  15.001  -2.107  -4.454
  224   1HA   GLY  29          2HA       GLY  29  17.482  -2.816  -4.605
  225   2HA   GLY  29          1HA       GLY  29  17.678  -1.208  -5.277
  226    H    GLY  30           H        GLY  30  15.400  -0.424  -3.258
  227   1HA   GLY  30          2HA       GLY  30  15.265   0.410  -1.129
  228   2HA   GLY  30          1HA       GLY  30  16.522  -0.733  -0.676
  229    HA   PRO  31           HA       PRO  31  18.647   3.198   0.085
  230   1HB   PRO  31          2HB       PRO  31  20.734   1.345   1.066
  231   2HB   PRO  31          1HB       PRO  31  19.956   2.701   1.887
  232   1HG   PRO  31          2HG       PRO  31  19.388   0.176   2.551
  233   2HG   PRO  31          1HG       PRO  31  18.135   1.432   2.544
  234   1HD   PRO  31          2HD       PRO  31  18.690  -0.702   0.516
  235   2HD   PRO  31          1HD       PRO  31  17.133  -0.109   1.135
  236    H    SER  32           H        SER  32  19.981   0.309  -1.475
  237    HA   SER  32           HA       SER  32  22.046   1.915  -2.777
  238   1HB   SER  32          2HB       SER  32  21.628  -0.996  -2.287
  239   2HB   SER  32          1HB       SER  32  22.567  -0.530  -3.704
  240    HG   SER  32           HG       SER  32  23.121  -0.136  -0.985
  241    H    SER  33           H        SER  33  19.434   2.513  -3.595
  242    HA   SER  33           HA       SER  33  19.362   1.383  -6.316
  243   1HB   SER  33          2HB       SER  33  17.344   0.935  -4.872
  244   2HB   SER  33          1HB       SER  33  17.039   2.672  -4.868
  245    HG   SER  33           HG       SER  33  16.817   0.821  -6.953
  246    H    GLY  34           H        GLY  34  19.268   4.336  -4.391
  247   1HA   GLY  34          2HA       GLY  34  20.534   6.163  -5.633
  248   2HA   GLY  34          1HA       GLY  34  19.323   5.922  -6.880
  249    H    ALA  35           H        ALA  35  17.029   5.679  -5.401
  250    HA   ALA  35           HA       ALA  35  16.669   8.424  -4.492
  251   1HB   ALA  35          1HB       ALA  35  15.064   6.572  -5.896
  252   2HB   ALA  35          2HB       ALA  35  14.684   8.238  -5.463
  253   3HB   ALA  35          3HB       ALA  35  14.246   6.921  -4.375
  254    HA   PRO  36           HA       PRO  36  16.475   7.476  -0.184
  255   1HB   PRO  36          2HB       PRO  36  14.699   9.313   0.710
  256   2HB   PRO  36          1HB       PRO  36  16.325   9.744   0.169
  257   1HG   PRO  36          2HG       PRO  36  13.725   9.941  -1.299
  258   2HG   PRO  36          1HG       PRO  36  15.064  11.100  -1.233
  259   1HD   PRO  36          2HD       PRO  36  14.672   9.402  -3.321
  260   2HD   PRO  36          1HD       PRO  36  16.277   9.982  -2.832
  261    HA   PRO  37           HA       PRO  37  13.068   4.814   0.738
  262   1HB   PRO  37          2HB       PRO  37  12.905   4.989   3.439
  263   2HB   PRO  37          1HB       PRO  37  14.225   4.157   2.612
  264   1HG   PRO  37          2HG       PRO  37  14.159   6.917   3.767
  265   2HG   PRO  37          1HG       PRO  37  15.432   5.687   3.883
  266   1HD   PRO  37          2HD       PRO  37  15.560   7.752   2.138
  267   2HD   PRO  37          1HD       PRO  37  16.253   6.158   1.780
  268    HA   PRO  38           HA       PRO  38   9.563   7.612   0.911
  269   1HB   PRO  38          2HB       PRO  38   7.661   5.801   0.284
  270   2HB   PRO  38          1HB       PRO  38   8.784   6.445  -0.919
  271   1HG   PRO  38          2HG       PRO  38   8.841   3.834   0.530
  272   2HG   PRO  38          1HG       PRO  38   9.204   4.181  -1.169
  273   1HD   PRO  38          2HD       PRO  38  11.115   3.829   0.762
  274   2HD   PRO  38          1HD       PRO  38  11.359   4.794  -0.707
  275    H    SER  39           H        SER  39   9.363   8.158   3.067
  276    HA   SER  39           HA       SER  39   8.295   6.198   4.944
  277   1HB   SER  39          2HB       SER  39   8.610   8.111   6.606
  278   2HB   SER  39          1HB       SER  39  10.076   7.464   5.872
  279    HG   SER  39           HG       SER  39   8.814   9.928   5.477
  Start of MODEL   14
    1   1H    HIS   1          1HT       HIS   1 -25.710  15.435  11.195
    2   2H    HIS   1          2HT       HIS   1 -26.450  14.078  11.941
    3   3H    HIS   1          3HT       HIS   1 -26.106  14.054  10.260
    4    HA   HIS   1           HA       HIS   1 -23.743  14.284  10.809
    5   1HB   HIS   1          2HB       HIS   1 -24.806  13.707  13.585
    6   2HB   HIS   1          1HB       HIS   1 -23.105  13.721  13.136
    7    HD1  HIS   1           1HD      HIS   1 -23.163  16.352  11.436
    8    HD2  HIS   1           2HD      HIS   1 -24.827  15.900  15.215
    9    HE1  HIS   1           1HE      HIS   1 -23.287  18.671  12.397
   10    HE2  HIS   1           2HE      HIS   1 -24.355  18.381  14.659
   11    H    GLY   2           H        GLY   2 -22.603  12.422  10.462
   12   1HA   GLY   2          2HA       GLY   2 -23.734   9.845  11.194
   13   2HA   GLY   2          1HA       GLY   2 -23.660  10.174   9.470
   14    H    GLU   3           H        GLU   3 -22.244   8.246  11.358
   15    HA   GLU   3           HA       GLU   3 -19.656   8.461  10.088
   16   1HB   GLU   3          2HB       GLU   3 -18.439   8.254  12.287
   17   2HB   GLU   3          1HB       GLU   3 -19.163   9.826  11.978
   18   1HG   GLU   3          2HG       GLU   3 -20.446   9.701  13.787
   19   2HG   GLU   3          1HG       GLU   3 -20.965   8.060  13.405
   20    H    GLY   4           H        GLY   4 -18.809   6.482   9.691
   21   1HA   GLY   4          2HA       GLY   4 -19.703   4.195  11.293
   22   2HA   GLY   4          1HA       GLY   4 -20.027   4.166   9.566
   23    H    THR   5           H        THR   5 -17.507   4.192  12.016
   24    HA   THR   5           HA       THR   5 -15.271   3.728  11.943
   25    HB   THR   5           HB       THR   5 -16.341   1.510  11.973
   26    HG1  THR   5           1HG      THR   5 -14.230   1.231  12.093
   27   1HG2  THR   5          1HG2      THR   5 -17.542   1.306   9.973
   28   2HG2  THR   5          2HG2      THR   5 -16.215   0.152   9.848
   29   3HG2  THR   5          3HG2      THR   5 -16.131   1.687   8.988
   30    H    PHE   6           H        PHE   6 -15.700   5.764  10.201
   31    HA   PHE   6           HA       PHE   6 -14.338   5.084   7.708
   32   1HB   PHE   6          2HB       PHE   6 -15.976   6.488   7.009
   33   2HB   PHE   6          1HB       PHE   6 -16.156   7.228   8.594
   34    HD1  PHE   6           1HD      PHE   6 -14.882   9.183   9.205
   35    HD2  PHE   6           2HD      PHE   6 -14.418   7.376   5.381
   36    HE1  PHE   6           1HE      PHE   6 -13.704  11.191   8.404
   37    HE2  PHE   6           2HE      PHE   6 -13.237   9.378   4.572
   38    HZ   PHE   6           HZ       PHE   6 -12.879  11.288   6.085
   39    H    THR   7           H        THR   7 -13.983   7.171  10.545
   40    HA   THR   7           HA       THR   7 -11.561   8.390   9.767
   41    HB   THR   7           HB       THR   7 -11.358   8.682  12.364
   42    HG1  THR   7           1HG      THR   7 -12.795   7.349  13.220
   43   1HG2  THR   7          1HG2      THR   7 -13.790   9.883  11.091
   44   2HG2  THR   7          2HG2      THR   7 -12.152  10.409  10.704
   45   3HG2  THR   7          3HG2      THR   7 -12.761  10.565  12.351
   46    H    SER   8           H        SER   8 -12.250   5.538  11.745
   47    HA   SER   8           HA       SER   8  -9.590   4.948  12.457
   48   1HB   SER   8          2HB       SER   8 -10.431   2.707  13.022
   49   2HB   SER   8          1HB       SER   8 -11.517   3.960  13.621
   50    HG   SER   8           HG       SER   8 -12.999   3.404  12.161
   51    H    ASP   9           H        ASP   9 -11.565   4.004   9.692
   52    HA   ASP   9           HA       ASP   9  -9.673   2.179   8.599
   53   1HB   ASP   9          2HB       ASP   9 -12.313   3.142   7.944
   54   2HB   ASP   9          1HB       ASP   9 -11.298   3.123   6.506
   55    H    LEU  10           H        LEU  10 -10.411   5.588   8.026
   56    HA   LEU  10           HA       LEU  10  -8.714   5.969   5.813
   57   1HB   LEU  10          2HB       LEU  10 -10.346   7.594   7.511
   58   2HB   LEU  10          1HB       LEU  10  -8.782   8.363   7.341
   59    HG   LEU  10           HG       LEU  10 -10.418   9.163   5.683
   60   1HD1  LEU  10          1HD1      LEU  10  -8.983   8.624   3.630
   61   2HD1  LEU  10          2HD1      LEU  10  -7.969   7.709   4.747
   62   3HD1  LEU  10          3HD1      LEU  10  -8.210   9.439   4.991
   63   1HD2  LEU  10          1HD2      LEU  10 -11.249   7.754   3.941
   64   2HD2  LEU  10          2HD2      LEU  10 -11.641   6.997   5.485
   65   3HD2  LEU  10          3HD2      LEU  10 -10.298   6.386   4.521
   66    H    SER  11           H        SER  11  -8.140   6.340   9.297
   67    HA   SER  11           HA       SER  11  -5.510   7.333   9.107
   68   1HB   SER  11          2HB       SER  11  -7.094   7.259  11.155
   69   2HB   SER  11          1HB       SER  11  -6.455   5.635  11.406
   70    HG   SER  11           HG       SER  11  -5.180   8.112  11.628
   71    H    LYS  12           H        LYS  12  -6.783   4.042   9.328
   72    HA   LYS  12           HA       LYS  12  -4.230   2.780   9.502
   73   1HB   LYS  12          2HB       LYS  12  -7.043   1.899   9.163
   74   2HB   LYS  12          1HB       LYS  12  -5.804   0.799   8.573
   75   1HG   LYS  12          2HG       LYS  12  -4.744   1.224  10.933
   76   2HG   LYS  12          1HG       LYS  12  -6.396   1.675  11.354
   77   1HD   LYS  12          2HD       LYS  12  -7.089  -0.545  10.303
   78   2HD   LYS  12          1HD       LYS  12  -5.375  -0.967  10.340
   79   1HE   LYS  12          2HE       LYS  12  -6.784   0.000  12.803
   80   2HE   LYS  12          1HE       LYS  12  -6.881  -1.689  12.309
   81   1HZ   LYS  12          1HZ       LYS  12  -4.359  -0.204  12.827
   82   2HZ   LYS  12          2HZ       LYS  12  -4.485  -1.841  12.417
   83   3HZ   LYS  12          3HZ       LYS  12  -5.088  -1.292  13.899
   84    H    GLN  13           H        GLN  13  -6.453   3.508   6.845
   85    HA   GLN  13           HA       GLN  13  -5.114   2.107   4.812
   86   1HB   GLN  13          2HB       GLN  13  -7.025   4.413   4.861
   87   2HB   GLN  13          1HB       GLN  13  -6.233   3.989   3.350
   88   1HG   GLN  13          2HG       GLN  13  -7.271   1.919   3.236
   89   2HG   GLN  13          1HG       GLN  13  -7.663   1.912   4.955
   90   1HE2  GLN  13          1HE2      GLN  13  -8.344   3.706   1.970
   91   2HE2  GLN  13          2HE2      GLN  13  -9.995   4.044   2.348
   92    H    MET  14           H        MET  14  -4.803   5.478   5.901
   93    HA   MET  14           HA       MET  14  -2.958   6.362   4.007
   94   1HB   MET  14          2HB       MET  14  -3.524   7.184   6.843
   95   2HB   MET  14          1HB       MET  14  -2.239   7.952   5.922
   96   1HG   MET  14          2HG       MET  14  -3.817   8.693   4.257
   97   2HG   MET  14          1HG       MET  14  -5.123   7.835   5.074
   98   1HE   MET  14          1HE       MET  14  -2.804  11.365   6.825
   99   2HE   MET  14          2HE       MET  14  -3.166  11.427   5.100
  100   3HE   MET  14          3HE       MET  14  -2.202  10.100   5.752
  101    H    GLU  15           H        GLU  15  -2.393   4.841   7.172
  102    HA   GLU  15           HA       GLU  15   0.434   4.950   7.054
  103   1HB   GLU  15          2HB       GLU  15  -1.595   3.704   8.774
  104   2HB   GLU  15          1HB       GLU  15  -0.100   2.787   8.663
  105   1HG   GLU  15          2HG       GLU  15  -0.326   5.681   9.462
  106   2HG   GLU  15          1HG       GLU  15  -0.100   4.321  10.561
  107    H    GLU  16           H        GLU  16  -1.907   2.426   6.180
  108    HA   GLU  16           HA       GLU  16  -0.039   0.436   5.488
  109   1HB   GLU  16          2HB       GLU  16  -2.892   0.803   5.337
  110   2HB   GLU  16          1HB       GLU  16  -2.303   0.102   3.837
  111   1HG   GLU  16          2HG       GLU  16  -1.438  -1.040   6.454
  112   2HG   GLU  16          1HG       GLU  16  -3.024  -1.436   5.793
  113    H    GLU  17           H        GLU  17  -1.476   3.073   3.623
  114    HA   GLU  17           HA       GLU  17  -0.583   2.299   1.074
  115   1HB   GLU  17          2HB       GLU  17  -1.610   4.766   2.319
  116   2HB   GLU  17          1HB       GLU  17  -0.589   5.018   0.911
  117   1HG   GLU  17          2HG       GLU  17  -2.285   4.544  -0.418
  118   2HG   GLU  17          1HG       GLU  17  -2.415   2.937   0.297
  119    H    ALA  18           H        ALA  18   0.959   4.187   3.627
  120    HA   ALA  18           HA       ALA  18   3.224   5.027   2.179
  121   1HB   ALA  18          1HB       ALA  18   4.232   5.499   4.330
  122   2HB   ALA  18          2HB       ALA  18   3.024   4.504   5.144
  123   3HB   ALA  18          3HB       ALA  18   2.542   5.999   4.338
  124    H    VAL  19           H        VAL  19   2.541   2.085   4.016
  125    HA   VAL  19           HA       VAL  19   5.141   0.992   4.000
  126    HB   VAL  19           HB       VAL  19   2.545  -0.563   3.958
  127   1HG1  VAL  19          1HG1      VAL  19   5.234  -1.401   3.970
  128   2HG1  VAL  19          2HG1      VAL  19   3.789  -2.385   4.206
  129   3HG1  VAL  19          3HG1      VAL  19   4.612  -1.680   5.597
  130   1HG2  VAL  19          1HG2      VAL  19   2.101   0.596   5.837
  131   2HG2  VAL  19          2HG2      VAL  19   3.775   1.106   6.048
  132   3HG2  VAL  19          3HG2      VAL  19   3.272  -0.502   6.566
  133    H    ARG  20           H        ARG  20   2.433   0.717   1.715
  134    HA   ARG  20           HA       ARG  20   3.520  -1.189  -0.016
  135   1HB   ARG  20          2HB       ARG  20   1.562   1.061  -0.431
  136   2HB   ARG  20          1HB       ARG  20   2.042   0.011  -1.759
  137   1HG   ARG  20          2HG       ARG  20   1.127  -1.901  -0.693
  138   2HG   ARG  20          1HG       ARG  20   0.893  -1.024   0.819
  139   1HD   ARG  20          2HD       ARG  20  -0.429   0.193  -1.495
  140   2HD   ARG  20          1HD       ARG  20  -1.019  -1.419  -1.094
  141    HE   ARG  20           HE       ARG  20  -0.832   0.303   1.190
  142   1HH1  ARG  20          1HH1      ARG  20  -2.860  -0.604  -1.518
  143   2HH1  ARG  20          2HH1      ARG  20  -4.323  -0.088  -0.751
  144   1HH2  ARG  20          1HH2      ARG  20  -2.765   0.987   2.191
  145   2HH2  ARG  20          2HH2      ARG  20  -4.272   0.814   1.352
  146    H    LEU  21           H        LEU  21   3.872   2.346   0.015
  147    HA   LEU  21           HA       LEU  21   5.383   2.556  -2.366
  148   1HB   LEU  21          2HB       LEU  21   4.445   4.304  -0.327
  149   2HB   LEU  21          1HB       LEU  21   6.169   4.576  -0.496
  150    HG   LEU  21           HG       LEU  21   4.486   4.518  -2.960
  151   1HD1  LEU  21          1HD1      LEU  21   4.769   6.975  -1.243
  152   2HD1  LEU  21          2HD1      LEU  21   3.321   5.969  -1.280
  153   3HD1  LEU  21          3HD1      LEU  21   3.854   6.800  -2.741
  154   1HD2  LEU  21          1HD2      LEU  21   6.740   6.375  -2.295
  155   2HD2  LEU  21          2HD2      LEU  21   6.180   5.819  -3.872
  156   3HD2  LEU  21          3HD2      LEU  21   7.055   4.717  -2.808
  157    H    PHE  22           H        PHE  22   6.308   2.199   1.036
  158    HA   PHE  22           HA       PHE  22   9.101   2.349   0.677
  159   1HB   PHE  22          2HB       PHE  22   8.221   2.617   2.879
  160   2HB   PHE  22          1HB       PHE  22   7.372   1.079   2.803
  161    HD1  PHE  22           1HD      PHE  22   8.292  -0.740   3.850
  162    HD2  PHE  22           2HD      PHE  22  10.838   2.452   2.649
  163    HE1  PHE  22           1HE      PHE  22  10.191  -1.844   4.956
  164    HE2  PHE  22           2HE      PHE  22  12.743   1.354   3.755
  165    HZ   PHE  22           HZ       PHE  22  12.419  -0.795   4.911
  166    H    ILE  23           H        ILE  23   6.809  -0.343   0.569
  167    HA   ILE  23           HA       ILE  23   8.645  -2.466   0.392
  168    HB   ILE  23           HB       ILE  23   5.813  -2.182  -0.614
  169   1HG1  ILE  23          2HG1      ILE  23   6.733  -4.011   1.573
  170   2HG1  ILE  23          1HG1      ILE  23   6.534  -2.295   1.907
  171   1HG2  ILE  23          1HG2      ILE  23   5.819  -4.650  -0.879
  172   2HG2  ILE  23          2HG2      ILE  23   7.568  -4.631  -0.655
  173   3HG2  ILE  23          3HG2      ILE  23   6.847  -3.811  -2.040
  174   1HD1  ILE  23          1HD1      ILE  23   4.247  -2.368   1.584
  175   2HD1  ILE  23          2HD1      ILE  23   4.582  -3.909   2.374
  176   3HD1  ILE  23          3HD1      ILE  23   4.327  -3.849   0.630
  177    H    GLU  24           H        GLU  24   7.048  -0.516  -2.112
  178    HA   GLU  24           HA       GLU  24   8.141  -1.817  -4.359
  179   1HB   GLU  24          2HB       GLU  24   6.215  -0.209  -4.389
  180   2HB   GLU  24          1HB       GLU  24   7.363   1.097  -4.131
  181   1HG   GLU  24          2HG       GLU  24   8.503   0.066  -6.271
  182   2HG   GLU  24          1HG       GLU  24   6.872  -0.548  -6.556
  183    H    TRP  25           H        TRP  25   9.276   0.879  -2.380
  184    HA   TRP  25           HA       TRP  25  11.484   1.631  -3.942
  185   1HB   TRP  25          2HB       TRP  25  10.669   3.106  -2.226
  186   2HB   TRP  25          1HB       TRP  25  10.947   1.895  -0.981
  187    HD1  TRP  25           HD       TRP  25  13.023   4.059  -3.442
  188    HE1  TRP  25           1HE      TRP  25  15.271   4.597  -2.310
  189    HE3  TRP  25           3HE      TRP  25  12.452   1.322   0.833
  190    HZ2  TRP  25           2HZ      TRP  25  16.625   3.945   0.080
  191    HZ3  TRP  25           3HZ      TRP  25  14.270   1.331   2.493
  192    HH2  TRP  25           HH       TRP  25  16.313   2.614   2.120
  193    H    LEU  26           H        LEU  26  11.137  -0.764  -1.353
  194    HA   LEU  26           HA       LEU  26  13.901  -1.428  -1.220
  195   1HB   LEU  26          2HB       LEU  26  11.398  -2.832  -0.313
  196   2HB   LEU  26          1HB       LEU  26  12.983  -3.558  -0.124
  197    HG   LEU  26           HG       LEU  26  12.017  -0.988   1.132
  198   1HD1  LEU  26          1HD1      LEU  26  11.128  -2.663   2.432
  199   2HD1  LEU  26          2HD1      LEU  26  12.699  -2.423   3.203
  200   3HD1  LEU  26          3HD1      LEU  26  12.457  -3.776   2.098
  201   1HD2  LEU  26          1HD2      LEU  26  14.209  -0.960   2.267
  202   2HD2  LEU  26          2HD2      LEU  26  14.347  -0.738   0.522
  203   3HD2  LEU  26          3HD2      LEU  26  14.733  -2.299   1.246
  204    H    LYS  27           H        LYS  27  11.211  -2.510  -3.181
  205    HA   LYS  27           HA       LYS  27  12.378  -4.870  -4.210
  206   1HB   LYS  27          2HB       LYS  27  10.045  -3.177  -4.826
  207   2HB   LYS  27          1HB       LYS  27  10.683  -4.080  -6.191
  208   1HG   LYS  27          2HG       LYS  27  10.560  -6.130  -4.690
  209   2HG   LYS  27          1HG       LYS  27   9.582  -5.135  -3.608
  210   1HD   LYS  27          2HD       LYS  27   8.209  -4.634  -5.771
  211   2HD   LYS  27          1HD       LYS  27   8.966  -6.115  -6.366
  212   1HE   LYS  27          2HE       LYS  27   7.696  -6.152  -3.672
  213   2HE   LYS  27          1HE       LYS  27   6.650  -6.152  -5.091
  214   1HZ   LYS  27          1HZ       LYS  27   7.087  -8.396  -4.445
  215   2HZ   LYS  27          2HZ       LYS  27   8.758  -8.139  -4.440
  216   3HZ   LYS  27          3HZ       LYS  27   7.902  -8.106  -5.899
  217    H    ASN  28           H        ASN  28  12.526  -1.482  -5.226
  218    HA   ASN  28           HA       ASN  28  13.887  -2.101  -7.684
  219   1HB   ASN  28          2HB       ASN  28  14.010   0.279  -8.044
  220   2HB   ASN  28          1HB       ASN  28  12.403  -0.120  -7.447
  221   1HD2  ASN  28          1HD2      ASN  28  11.769   1.645  -6.403
  222   2HD2  ASN  28          2HD2      ASN  28  12.655   2.436  -5.148
  223    H    GLY  29           H        GLY  29  14.949  -2.224  -4.559
  224   1HA   GLY  29          2HA       GLY  29  17.407  -2.881  -4.576
  225   2HA   GLY  29          1HA       GLY  29  17.656  -1.284  -5.261
  226    H    GLY  30           H        GLY  30  15.359  -0.355  -3.396
  227   1HA   GLY  30          2HA       GLY  30  15.151   0.553  -1.304
  228   2HA   GLY  30          1HA       GLY  30  16.271  -0.676  -0.739
  229    HA   PRO  31           HA       PRO  31  18.683   3.065   0.083
  230   1HB   PRO  31          2HB       PRO  31  20.558   1.088   1.225
  231   2HB   PRO  31          1HB       PRO  31  19.816   2.502   1.979
  232   1HG   PRO  31          2HG       PRO  31  19.047   0.019   2.619
  233   2HG   PRO  31          1HG       PRO  31  17.886   1.358   2.536
  234   1HD   PRO  31          2HD       PRO  31  18.411  -0.822   0.551
  235   2HD   PRO  31          1HD       PRO  31  16.866  -0.121   1.076
  236    H    SER  32           H        SER  32  19.766   0.089  -1.466
  237    HA   SER  32           HA       SER  32  22.123   1.428  -2.553
  238   1HB   SER  32          2HB       SER  32  21.984  -1.022  -1.593
  239   2HB   SER  32          1HB       SER  32  21.419  -1.402  -3.220
  240    HG   SER  32           HG       SER  32  23.748  -1.529  -2.877
  241    H    SER  33           H        SER  33  19.236   1.951  -3.437
  242    HA   SER  33           HA       SER  33  19.409   1.129  -6.241
  243   1HB   SER  33          2HB       SER  33  17.259   0.808  -5.011
  244   2HB   SER  33          1HB       SER  33  17.137   2.558  -4.841
  245    HG   SER  33           HG       SER  33  16.671   0.963  -7.032
  246    H    GLY  34           H        GLY  34  19.511   3.990  -4.195
  247   1HA   GLY  34          2HA       GLY  34  21.027   5.726  -5.251
  248   2HA   GLY  34          1HA       GLY  34  19.910   5.654  -6.603
  249    H    ALA  35           H        ALA  35  17.484   5.673  -5.470
  250    HA   ALA  35           HA       ALA  35  17.308   8.383  -4.461
  251   1HB   ALA  35          1HB       ALA  35  14.839   7.996  -4.676
  252   2HB   ALA  35          2HB       ALA  35  15.212   6.386  -5.293
  253   3HB   ALA  35          3HB       ALA  35  15.754   7.815  -6.171
  254    HA   PRO  36           HA       PRO  36  16.736   7.428  -0.190
  255   1HB   PRO  36          2HB       PRO  36  15.016   9.387   0.577
  256   2HB   PRO  36          1HB       PRO  36  16.717   9.690   0.213
  257   1HG   PRO  36          2HG       PRO  36  14.305  10.124  -1.503
  258   2HG   PRO  36          1HG       PRO  36  15.723  11.165  -1.279
  259   1HD   PRO  36          2HD       PRO  36  15.412   9.551  -3.436
  260   2HD   PRO  36          1HD       PRO  36  17.003   9.954  -2.759
  261    HA   PRO  37           HA       PRO  37  13.093   5.001   0.420
  262   1HB   PRO  37          2HB       PRO  37  12.695   5.203   3.099
  263   2HB   PRO  37          1HB       PRO  37  14.013   4.264   2.391
  264   1HG   PRO  37          2HG       PRO  37  14.062   7.033   3.531
  265   2HG   PRO  37          1HG       PRO  37  15.216   5.706   3.770
  266   1HD   PRO  37          2HD       PRO  37  15.688   7.726   2.043
  267   2HD   PRO  37          1HD       PRO  37  16.249   6.071   1.735
  268    HA   PRO  38           HA       PRO  38   9.688   7.881   0.234
  269   1HB   PRO  38          2HB       PRO  38   7.678   6.068   0.061
  270   2HB   PRO  38          1HB       PRO  38   8.757   6.431  -1.291
  271   1HG   PRO  38          2HG       PRO  38   8.833   4.150   0.642
  272   2HG   PRO  38          1HG       PRO  38   9.074   4.135  -1.114
  273   1HD   PRO  38          2HD       PRO  38  11.132   4.066   0.647
  274   2HD   PRO  38          1HD       PRO  38  11.258   4.836  -0.948
  275    H    SER  39           H        SER  39   9.039   8.982   1.978
  276    HA   SER  39           HA       SER  39   8.558   7.678   4.505
  277   1HB   SER  39          2HB       SER  39   9.301  10.266   3.714
  278   2HB   SER  39          1HB       SER  39   7.703  10.447   4.436
  279    HG   SER  39           HG       SER  39  10.100   9.595   5.591
  Start of MODEL   15
    1   1H    HIS   1          1HT       HIS   1 -22.118   5.005   3.053
    2   2H    HIS   1          2HT       HIS   1 -22.107   6.717   2.912
    3   3H    HIS   1          3HT       HIS   1 -23.563   5.844   2.664
    4    HA   HIS   1           HA       HIS   1 -23.559   6.908   4.781
    5   1HB   HIS   1          2HB       HIS   1 -23.768   4.038   4.288
    6   2HB   HIS   1          1HB       HIS   1 -23.435   4.395   5.979
    7    HD1  HIS   1           1HD      HIS   1 -25.665   4.032   7.037
    8    HD2  HIS   1           2HD      HIS   1 -25.903   6.426   3.648
    9    HE1  HIS   1           1HE      HIS   1 -28.043   4.846   6.955
   10    HE2  HIS   1           2HE      HIS   1 -28.135   6.375   4.954
   11    H    GLY   2           H        GLY   2 -22.095   7.995   5.941
   12   1HA   GLY   2          2HA       GLY   2 -20.139   6.567   7.503
   13   2HA   GLY   2          1HA       GLY   2 -19.423   7.559   6.241
   14    H    GLU   3           H        GLU   3 -18.446   9.088   7.480
   15    HA   GLU   3           HA       GLU   3 -18.206  10.988   8.693
   16   1HB   GLU   3          2HB       GLU   3 -21.081  11.129   7.910
   17   2HB   GLU   3          1HB       GLU   3 -20.495  12.253   9.125
   18   1HG   GLU   3          2HG       GLU   3 -20.438  13.216   6.886
   19   2HG   GLU   3          1HG       GLU   3 -18.827  13.095   7.589
   20    H    GLY   4           H        GLY   4 -17.505  10.406  10.665
   21   1HA   GLY   4          2HA       GLY   4 -18.441  10.844  13.020
   22   2HA   GLY   4          1HA       GLY   4 -19.483   9.481  12.644
   23    H    THR   5           H        THR   5 -17.887   7.656  11.504
   24    HA   THR   5           HA       THR   5 -15.639   7.268  13.364
   25    HB   THR   5           HB       THR   5 -16.267   4.824  13.429
   26    HG1  THR   5           1HG      THR   5 -17.695   4.450  11.884
   27   1HG2  THR   5          1HG2      THR   5 -16.799   6.229  15.333
   28   2HG2  THR   5          2HG2      THR   5 -18.069   5.039  15.052
   29   3HG2  THR   5          3HG2      THR   5 -18.311   6.717  14.566
   30    H    PHE   6           H        PHE   6 -15.409   8.261  10.761
   31    HA   PHE   6           HA       PHE   6 -14.543   6.027   9.099
   32   1HB   PHE   6          2HB       PHE   6 -14.257   7.687   7.328
   33   2HB   PHE   6          1HB       PHE   6 -15.859   7.808   8.041
   34    HD1  PHE   6           1HD      PHE   6 -12.502   9.365   7.993
   35    HD2  PHE   6           2HD      PHE   6 -16.616   9.819   8.978
   36    HE1  PHE   6           1HE      PHE   6 -12.139  11.766   8.385
   37    HE2  PHE   6           2HE      PHE   6 -16.259  12.220   9.376
   38    HZ   PHE   6           HZ       PHE   6 -14.019  13.197   9.078
   39    H    THR   7           H        THR   7 -13.209   8.594  11.049
   40    HA   THR   7           HA       THR   7 -10.634   8.779  10.042
   41    HB   THR   7           HB       THR   7  -9.998   9.522  12.321
   42    HG1  THR   7           1HG      THR   7 -12.673   8.919  13.024
   43   1HG2  THR   7          1HG2      THR   7 -12.660  10.698  11.610
   44   2HG2  THR   7          2HG2      THR   7 -11.174  11.063  10.732
   45   3HG2  THR   7          3HG2      THR   7 -11.312  11.472  12.442
   46    H    SER   8           H        SER   8 -12.022   6.379  12.214
   47    HA   SER   8           HA       SER   8  -9.667   5.150  13.087
   48   1HB   SER   8          2HB       SER   8 -12.506   4.557  13.129
   49   2HB   SER   8          1HB       SER   8 -11.555   3.097  12.874
   50    HG   SER   8           HG       SER   8 -11.697   4.764  15.084
   51    H    ASP   9           H        ASP   9 -11.663   4.491  10.237
   52    HA   ASP   9           HA       ASP   9  -9.943   2.369   9.322
   53   1HB   ASP   9          2HB       ASP   9 -12.177   3.802   7.868
   54   2HB   ASP   9          1HB       ASP   9 -11.407   2.303   7.356
   55    H    LEU  10           H        LEU  10 -10.454   5.767   8.549
   56    HA   LEU  10           HA       LEU  10  -8.890   5.906   6.219
   57   1HB   LEU  10          2HB       LEU  10 -10.353   7.691   7.809
   58   2HB   LEU  10          1HB       LEU  10  -8.719   8.324   7.800
   59    HG   LEU  10           HG       LEU  10 -10.166   7.607   5.259
   60   1HD1  LEU  10          1HD1      LEU  10 -11.608   9.219   6.065
   61   2HD1  LEU  10          2HD1      LEU  10 -10.441  10.185   5.163
   62   3HD1  LEU  10          3HD1      LEU  10 -10.332  10.084   6.921
   63   1HD2  LEU  10          1HD2      LEU  10  -8.551   9.194   4.288
   64   2HD2  LEU  10          2HD2      LEU  10  -7.764   7.823   5.067
   65   3HD2  LEU  10          3HD2      LEU  10  -7.811   9.387   5.878
   66    H    SER  11           H        SER  11  -8.027   6.325   9.638
   67    HA   SER  11           HA       SER  11  -5.357   7.119   9.238
   68   1HB   SER  11          2HB       SER  11  -6.722   5.757  11.565
   69   2HB   SER  11          1HB       SER  11  -5.035   6.270  11.611
   70    HG   SER  11           HG       SER  11  -7.370   7.804  11.572
   71    H    LYS  12           H        LYS  12  -6.820   3.923   9.652
   72    HA   LYS  12           HA       LYS  12  -4.370   2.481   9.647
   73   1HB   LYS  12          2HB       LYS  12  -7.227   1.650   9.141
   74   2HB   LYS  12          1HB       LYS  12  -5.888   0.511   9.114
   75   1HG   LYS  12          2HG       LYS  12  -5.350   1.141  11.440
   76   2HG   LYS  12          1HG       LYS  12  -6.770   2.188  11.453
   77   1HD   LYS  12          2HD       LYS  12  -8.187   0.224  10.976
   78   2HD   LYS  12          1HD       LYS  12  -6.752  -0.803  11.044
   79   1HE   LYS  12          2HE       LYS  12  -6.683  -0.767  13.291
   80   2HE   LYS  12          1HE       LYS  12  -7.116   0.940  13.376
   81   1HZ   LYS  12          1HZ       LYS  12  -8.813  -0.490  14.355
   82   2HZ   LYS  12          2HZ       LYS  12  -9.023  -1.282  12.876
   83   3HZ   LYS  12          3HZ       LYS  12  -9.420   0.355  13.020
   84    H    GLN  13           H        GLN  13  -6.728   3.292   7.119
   85    HA   GLN  13           HA       GLN  13  -5.522   1.820   5.037
   86   1HB   GLN  13          2HB       GLN  13  -7.406   4.158   5.107
   87   2HB   GLN  13          1HB       GLN  13  -6.756   3.582   3.580
   88   1HG   GLN  13          2HG       GLN  13  -7.615   1.258   4.600
   89   2HG   GLN  13          1HG       GLN  13  -8.747   2.362   5.379
   90   1HE2  GLN  13          1HE2      GLN  13 -10.206   3.525   4.116
   91   2HE2  GLN  13          2HE2      GLN  13 -10.536   3.104   2.474
   92    H    MET  14           H        MET  14  -5.051   5.136   6.183
   93    HA   MET  14           HA       MET  14  -3.368   6.035   4.118
   94   1HB   MET  14          2HB       MET  14  -3.868   6.865   6.943
   95   2HB   MET  14          1HB       MET  14  -2.469   7.529   6.114
   96   1HG   MET  14          2HG       MET  14  -4.289   8.002   4.239
   97   2HG   MET  14          1HG       MET  14  -5.354   7.991   5.645
   98   1HE   MET  14          1HE       MET  14  -5.924   9.951   6.842
   99   2HE   MET  14          2HE       MET  14  -6.028  10.634   5.220
  100   3HE   MET  14          3HE       MET  14  -5.263  11.554   6.514
  101    H    GLU  15           H        GLU  15  -2.679   4.318   7.135
  102    HA   GLU  15           HA       GLU  15   0.133   4.459   7.029
  103   1HB   GLU  15          2HB       GLU  15  -1.670   2.370   8.269
  104   2HB   GLU  15          1HB       GLU  15   0.065   2.471   8.538
  105   1HG   GLU  15          2HG       GLU  15  -1.036   5.023   9.073
  106   2HG   GLU  15          1HG       GLU  15  -2.036   3.822   9.887
  107    H    GLU  16           H        GLU  16  -2.170   2.108   5.708
  108    HA   GLU  16           HA       GLU  16  -0.358   0.184   4.801
  109   1HB   GLU  16          2HB       GLU  16  -3.076   1.011   3.793
  110   2HB   GLU  16          1HB       GLU  16  -2.184  -0.334   3.096
  111   1HG   GLU  16          2HG       GLU  16  -2.431  -1.648   4.961
  112   2HG   GLU  16          1HG       GLU  16  -2.645  -0.268   6.037
  113    H    GLU  17           H        GLU  17  -1.517   3.155   3.253
  114    HA   GLU  17           HA       GLU  17  -0.391   2.755   0.718
  115   1HB   GLU  17          2HB       GLU  17  -1.498   5.014   2.223
  116   2HB   GLU  17          1HB       GLU  17  -0.264   5.482   1.064
  117   1HG   GLU  17          2HG       GLU  17  -2.716   3.857   0.422
  118   2HG   GLU  17          1HG       GLU  17  -2.536   5.588   0.143
  119    H    ALA  18           H        ALA  18   0.970   4.185   3.650
  120    HA   ALA  18           HA       ALA  18   3.401   5.068   2.523
  121   1HB   ALA  18          1HB       ALA  18   2.401   5.691   4.783
  122   2HB   ALA  18          2HB       ALA  18   4.145   5.438   4.721
  123   3HB   ALA  18          3HB       ALA  18   3.094   4.183   5.380
  124    H    VAL  19           H        VAL  19   2.461   2.008   4.052
  125    HA   VAL  19           HA       VAL  19   5.012   0.793   4.052
  126    HB   VAL  19           HB       VAL  19   2.366  -0.646   3.775
  127   1HG1  VAL  19          1HG1      VAL  19   3.433  -2.563   4.331
  128   2HG1  VAL  19          2HG1      VAL  19   4.607  -1.744   5.359
  129   3HG1  VAL  19          3HG1      VAL  19   4.808  -1.730   3.608
  130   1HG2  VAL  19          1HG2      VAL  19   2.911  -0.793   6.412
  131   2HG2  VAL  19          2HG2      VAL  19   1.858   0.427   5.695
  132   3HG2  VAL  19          3HG2      VAL  19   3.542   0.814   6.053
  133    H    ARG  20           H        ARG  20   2.409   0.879   1.646
  134    HA   ARG  20           HA       ARG  20   3.480  -0.949  -0.189
  135   1HB   ARG  20          2HB       ARG  20   1.154   0.135  -0.159
  136   2HB   ARG  20          1HB       ARG  20   1.904   1.501  -0.975
  137   1HG   ARG  20          2HG       ARG  20   2.703  -0.202  -2.707
  138   2HG   ARG  20          1HG       ARG  20   1.536  -1.304  -1.971
  139   1HD   ARG  20          2HD       ARG  20   0.101   1.032  -2.322
  140   2HD   ARG  20          1HD       ARG  20   1.107   0.946  -3.766
  141    HE   ARG  20           HE       ARG  20  -1.022  -0.879  -2.994
  142   1HH1  ARG  20          1HH1      ARG  20   1.639  -0.217  -5.177
  143   2HH1  ARG  20          2HH1      ARG  20   1.086  -1.326  -6.383
  144   1HH2  ARG  20          1HH2      ARG  20  -1.742  -2.339  -4.590
  145   2HH2  ARG  20          2HH2      ARG  20  -0.833  -2.532  -6.051
  146    H    LEU  21           H        LEU  21   3.931   2.569   0.113
  147    HA   LEU  21           HA       LEU  21   5.560   2.886  -2.174
  148   1HB   LEU  21          2HB       LEU  21   4.720   4.499   0.091
  149   2HB   LEU  21          1HB       LEU  21   6.390   4.816  -0.338
  150    HG   LEU  21           HG       LEU  21   5.061   4.833  -2.779
  151   1HD1  LEU  21          1HD1      LEU  21   2.925   4.878  -1.517
  152   2HD1  LEU  21          2HD1      LEU  21   3.185   6.303  -2.522
  153   3HD1  LEU  21          3HD1      LEU  21   3.439   6.395  -0.778
  154   1HD2  LEU  21          1HD2      LEU  21   6.892   6.293  -2.107
  155   2HD2  LEU  21          2HD2      LEU  21   5.819   7.144  -0.995
  156   3HD2  LEU  21          3HD2      LEU  21   5.535   7.229  -2.734
  157    H    PHE  22           H        PHE  22   6.330   2.307   1.240
  158    HA   PHE  22           HA       PHE  22   9.135   2.384   0.983
  159   1HB   PHE  22          2HB       PHE  22   8.133   2.557   3.163
  160   2HB   PHE  22          1HB       PHE  22   7.336   1.000   2.981
  161    HD1  PHE  22           1HD      PHE  22   8.260  -0.794   4.041
  162    HD2  PHE  22           2HD      PHE  22  10.781   2.438   2.908
  163    HE1  PHE  22           1HE      PHE  22  10.170  -1.907   5.125
  164    HE2  PHE  22           2HE      PHE  22  12.695   1.336   3.992
  165    HZ   PHE  22           HZ       PHE  22  12.389  -0.844   5.100
  166    H    ILE  23           H        ILE  23   6.794  -0.272   0.755
  167    HA   ILE  23           HA       ILE  23   8.619  -2.391   0.470
  168    HB   ILE  23           HB       ILE  23   5.771  -2.049  -0.456
  169   1HG1  ILE  23          2HG1      ILE  23   6.814  -3.994   1.584
  170   2HG1  ILE  23          1HG1      ILE  23   6.507  -2.316   2.017
  171   1HG2  ILE  23          1HG2      ILE  23   5.772  -4.510  -0.879
  172   2HG2  ILE  23          2HG2      ILE  23   7.532  -4.475  -0.756
  173   3HG2  ILE  23          3HG2      ILE  23   6.719  -3.572  -2.035
  174   1HD1  ILE  23          1HD1      ILE  23   4.637  -3.804   2.564
  175   2HD1  ILE  23          2HD1      ILE  23   4.469  -4.196   0.852
  176   3HD1  ILE  23          3HD1      ILE  23   4.185  -2.548   1.412
  177    H    GLU  24           H        GLU  24   7.061  -0.289  -1.935
  178    HA   GLU  24           HA       GLU  24   8.105  -1.552  -4.234
  179   1HB   GLU  24          2HB       GLU  24   6.212   0.113  -4.161
  180   2HB   GLU  24          1HB       GLU  24   7.416   1.378  -3.947
  181   1HG   GLU  24          2HG       GLU  24   8.452   0.516  -6.113
  182   2HG   GLU  24          1HG       GLU  24   6.944  -0.369  -6.336
  183    H    TRP  25           H        TRP  25   9.325   1.056  -2.175
  184    HA   TRP  25           HA       TRP  25  11.542   1.785  -3.750
  185   1HB   TRP  25          2HB       TRP  25  10.774   3.249  -1.995
  186   2HB   TRP  25          1HB       TRP  25  11.051   2.010  -0.776
  187    HD1  TRP  25           HD       TRP  25  13.162   4.088  -3.291
  188    HE1  TRP  25           1HE      TRP  25  15.433   4.584  -2.186
  189    HE3  TRP  25           3HE      TRP  25  12.528   1.491   1.063
  190    HZ2  TRP  25           2HZ      TRP  25  16.779   3.957   0.216
  191    HZ3  TRP  25           3HZ      TRP  25  14.353   1.489   2.712
  192    HH2  TRP  25           HH       TRP  25  16.434   2.697   2.296
  193    H    LEU  26           H        LEU  26  11.137  -0.645  -1.206
  194    HA   LEU  26           HA       LEU  26  13.890  -1.383  -1.107
  195   1HB   LEU  26          2HB       LEU  26  11.365  -2.743  -0.181
  196   2HB   LEU  26          1HB       LEU  26  12.949  -3.469   0.019
  197    HG   LEU  26           HG       LEU  26  11.979  -0.889   1.249
  198   1HD1  LEU  26          1HD1      LEU  26  12.648  -2.285   3.339
  199   2HD1  LEU  26          2HD1      LEU  26  12.453  -3.661   2.254
  200   3HD1  LEU  26          3HD1      LEU  26  11.096  -2.574   2.552
  201   1HD2  LEU  26          1HD2      LEU  26  14.154  -0.767   2.341
  202   2HD2  LEU  26          2HD2      LEU  26  14.333  -0.707   0.587
  203   3HD2  LEU  26          3HD2      LEU  26  14.691  -2.198   1.460
  204    H    LYS  27           H        LYS  27  11.102  -2.459  -2.960
  205    HA   LYS  27           HA       LYS  27  12.197  -4.829  -4.014
  206   1HB   LYS  27          2HB       LYS  27   9.877  -3.118  -4.545
  207   2HB   LYS  27          1HB       LYS  27  10.483  -3.941  -5.974
  208   1HG   LYS  27          2HG       LYS  27  10.448  -6.036  -4.390
  209   2HG   LYS  27          1HG       LYS  27   9.264  -5.067  -3.507
  210   1HD   LYS  27          2HD       LYS  27   8.691  -4.951  -6.311
  211   2HD   LYS  27          1HD       LYS  27   8.856  -6.637  -5.815
  212   1HE   LYS  27          2HE       LYS  27   7.349  -5.789  -3.799
  213   2HE   LYS  27          1HE       LYS  27   6.859  -4.594  -5.000
  214   1HZ   LYS  27          1HZ       LYS  27   6.663  -7.546  -5.244
  215   2HZ   LYS  27          2HZ       LYS  27   6.337  -6.468  -6.506
  216   3HZ   LYS  27          3HZ       LYS  27   5.383  -6.448  -5.108
  217    H    ASN  28           H        ASN  28  12.326  -1.466  -5.140
  218    HA   ASN  28           HA       ASN  28  13.613  -2.105  -7.608
  219   1HB   ASN  28          2HB       ASN  28  13.847   0.265  -7.939
  220   2HB   ASN  28          1HB       ASN  28  12.261  -0.038  -7.243
  221   1HD2  ASN  28          1HD2      ASN  28  11.841   1.787  -6.186
  222   2HD2  ASN  28          2HD2      ASN  28  12.841   2.480  -4.961
  223    H    GLY  29           H        GLY  29  14.763  -1.929  -4.400
  224   1HA   GLY  29          2HA       GLY  29  17.177  -2.904  -4.541
  225   2HA   GLY  29          1HA       GLY  29  17.504  -1.334  -5.260
  226    H    GLY  30           H        GLY  30  15.344  -0.241  -3.305
  227   1HA   GLY  30          2HA       GLY  30  15.273   0.657  -1.195
  228   2HA   GLY  30          1HA       GLY  30  16.403  -0.593  -0.695
  229    HA   PRO  31           HA       PRO  31  18.927   3.113  -0.064
  230   1HB   PRO  31          2HB       PRO  31  20.812   1.105   1.008
  231   2HB   PRO  31          1HB       PRO  31  20.154   2.552   1.776
  232   1HG   PRO  31          2HG       PRO  31  19.353   0.111   2.510
  233   2HG   PRO  31          1HG       PRO  31  18.224   1.479   2.458
  234   1HD   PRO  31          2HD       PRO  31  18.583  -0.756   0.494
  235   2HD   PRO  31          1HD       PRO  31  17.087  -0.004   1.086
  236    H    SER  32           H        SER  32  20.057   0.018  -1.409
  237    HA   SER  32           HA       SER  32  22.223   1.378  -2.810
  238   1HB   SER  32          2HB       SER  32  22.675  -1.090  -3.542
  239   2HB   SER  32          1HB       SER  32  23.042  -0.596  -1.892
  240    HG   SER  32           HG       SER  32  21.552  -2.583  -2.571
  241    H    SER  33           H        SER  33  19.705   2.137  -3.709
  242    HA   SER  33           HA       SER  33  19.533   0.815  -6.339
  243   1HB   SER  33          2HB       SER  33  17.494   0.633  -4.859
  244   2HB   SER  33          1HB       SER  33  17.319   2.381  -5.008
  245    HG   SER  33           HG       SER  33  16.378   2.025  -6.838
  246    H    GLY  34           H        GLY  34  19.677   3.890  -4.632
  247   1HA   GLY  34          2HA       GLY  34  20.921   5.690  -5.702
  248   2HA   GLY  34          1HA       GLY  34  20.168   5.221  -7.219
  249    H    ALA  35           H        ALA  35  18.525   5.514  -4.105
  250    HA   ALA  35           HA       ALA  35  17.464   8.115  -4.593
  251   1HB   ALA  35          1HB       ALA  35  15.133   7.490  -4.959
  252   2HB   ALA  35          2HB       ALA  35  15.588   5.788  -5.001
  253   3HB   ALA  35          3HB       ALA  35  16.159   6.884  -6.259
  254    HA   PRO  36           HA       PRO  36  16.900   7.759  -0.224
  255   1HB   PRO  36          2HB       PRO  36  15.049   9.724   0.183
  256   2HB   PRO  36          1HB       PRO  36  16.761  10.040  -0.107
  257   1HG   PRO  36          2HG       PRO  36  14.459  10.167  -2.012
  258   2HG   PRO  36          1HG       PRO  36  15.843  11.262  -1.851
  259   1HD   PRO  36          2HD       PRO  36  15.694   9.374  -3.787
  260   2HD   PRO  36          1HD       PRO  36  17.235   9.888  -3.071
  261    HA   PRO  37           HA       PRO  37  13.337   5.250   0.538
  262   1HB   PRO  37          2HB       PRO  37  13.044   5.551   3.212
  263   2HB   PRO  37          1HB       PRO  37  14.375   4.632   2.498
  264   1HG   PRO  37          2HG       PRO  37  14.355   7.451   3.515
  265   2HG   PRO  37          1HG       PRO  37  15.564   6.179   3.774
  266   1HD   PRO  37          2HD       PRO  37  15.891   8.139   1.936
  267   2HD   PRO  37          1HD       PRO  37  16.526   6.498   1.701
  268    HA   PRO  38           HA       PRO  38   9.846   8.010   0.408
  269   1HB   PRO  38          2HB       PRO  38   7.863   6.174   0.603
  270   2HB   PRO  38          1HB       PRO  38   8.820   6.393  -0.865
  271   1HG   PRO  38          2HG       PRO  38   9.098   4.335   1.289
  272   2HG   PRO  38          1HG       PRO  38   9.192   4.133  -0.469
  273   1HD   PRO  38          2HD       PRO  38  11.389   4.280   1.116
  274   2HD   PRO  38          1HD       PRO  38  11.373   4.860  -0.562
  275    H    SER  39           H        SER  39   9.794   9.240   2.237
  276    HA   SER  39           HA       SER  39   8.345   8.119   4.535
  277   1HB   SER  39          2HB       SER  39  10.809   9.870   4.732
  278   2HB   SER  39          1HB       SER  39   9.839   9.298   6.089
  279    HG   SER  39           HG       SER  39  10.554   7.264   5.762
  Start of MODEL   16
    1   1H    HIS   1          1HT       HIS   1 -17.438  18.622  16.712
    2   2H    HIS   1          2HT       HIS   1 -18.365  17.969  18.000
    3   3H    HIS   1          3HT       HIS   1 -18.841  19.442  17.259
    4    HA   HIS   1           HA       HIS   1 -18.670  16.865  15.852
    5   1HB   HIS   1          2HB       HIS   1 -21.155  16.840  16.076
    6   2HB   HIS   1          1HB       HIS   1 -20.317  16.660  17.613
    7    HD1  HIS   1           1HD      HIS   1 -20.746  18.415  19.388
    8    HD2  HIS   1           2HD      HIS   1 -22.442  19.368  15.715
    9    HE1  HIS   1           1HE      HIS   1 -22.233  20.395  19.827
   10    HE2  HIS   1           2HE      HIS   1 -23.168  21.015  17.573
   11    H    GLY   2           H        GLY   2 -19.622  16.910  13.773
   12   1HA   GLY   2          2HA       GLY   2 -21.018  18.665  12.377
   13   2HA   GLY   2          1HA       GLY   2 -19.509  19.552  12.524
   14    H    GLU   3           H        GLU   3 -20.624  16.274  11.644
   15    HA   GLU   3           HA       GLU   3 -20.076  14.878   9.946
   16   1HB   GLU   3          2HB       GLU   3 -20.521  17.217   8.727
   17   2HB   GLU   3          1HB       GLU   3 -18.820  17.029   8.320
   18   1HG   GLU   3          2HG       GLU   3 -19.765  16.004   6.527
   19   2HG   GLU   3          1HG       GLU   3 -19.602  14.620   7.607
   20    H    GLY   4           H        GLY   4 -18.505  13.755  11.111
   21   1HA   GLY   4          2HA       GLY   4 -15.976  13.535   9.981
   22   2HA   GLY   4          1HA       GLY   4 -15.808  14.612  11.360
   23    H    THR   5           H        THR   5 -17.187  11.442  10.492
   24    HA   THR   5           HA       THR   5 -16.365  10.468  13.150
   25    HB   THR   5           HB       THR   5 -18.793  10.476  12.902
   26    HG1  THR   5           1HG      THR   5 -18.919   8.614  13.849
   27   1HG2  THR   5          1HG2      THR   5 -19.892   8.931  11.313
   28   2HG2  THR   5          2HG2      THR   5 -18.343   8.727  10.497
   29   3HG2  THR   5          3HG2      THR   5 -19.113  10.312  10.541
   30    H    PHE   6           H        PHE   6 -14.398  10.461  11.351
   31    HA   PHE   6           HA       PHE   6 -13.792   7.705  11.056
   32   1HB   PHE   6          2HB       PHE   6 -13.371   7.779   8.650
   33   2HB   PHE   6          1HB       PHE   6 -15.069   7.949   9.056
   34    HD1  PHE   6           1HD      PHE   6 -15.953  10.407   9.200
   35    HD2  PHE   6           2HD      PHE   6 -12.433   9.233   7.115
   36    HE1  PHE   6           1HE      PHE   6 -16.080  12.453   7.840
   37    HE2  PHE   6           2HE      PHE   6 -12.553  11.276   5.753
   38    HZ   PHE   6           HZ       PHE   6 -14.378  12.889   6.114
   39    H    THR   7           H        THR   7 -12.284   8.500  12.494
   40    HA   THR   7           HA       THR   7 -10.049  10.001  11.311
   41    HB   THR   7           HB       THR   7 -11.014  11.120  13.251
   42    HG1  THR   7           1HG      THR   7  -8.926  11.553  13.269
   43   1HG2  THR   7          1HG2      THR   7 -10.231   8.721  14.887
   44   2HG2  THR   7          2HG2      THR   7 -11.885   9.133  14.435
   45   3HG2  THR   7          3HG2      THR   7 -10.957  10.221  15.466
   46    H    SER   8           H        SER   8 -10.859   7.181  13.282
   47    HA   SER   8           HA       SER   8  -8.197   6.238  13.560
   48   1HB   SER   8          2HB       SER   8  -9.309   4.079  14.222
   49   2HB   SER   8          1HB       SER   8  -9.849   5.486  15.135
   50    HG   SER   8           HG       SER   8 -11.257   3.840  13.477
   51    H    ASP   9           H        ASP   9 -10.826   5.439  11.328
   52    HA   ASP   9           HA       ASP   9  -9.443   3.411   9.923
   53   1HB   ASP   9          2HB       ASP   9 -11.958   4.900   9.609
   54   2HB   ASP   9          1HB       ASP   9 -11.237   4.381   8.089
   55    H    LEU  10           H        LEU  10  -9.711   6.895   9.460
   56    HA   LEU  10           HA       LEU  10  -8.486   7.050   6.929
   57   1HB   LEU  10          2HB       LEU  10  -9.771   8.841   8.316
   58   2HB   LEU  10          1HB       LEU  10  -8.196   9.203   8.996
   59    HG   LEU  10           HG       LEU  10  -8.433   9.143   6.029
   60   1HD1  LEU  10          1HD1      LEU  10 -10.428  10.380   6.728
   61   2HD1  LEU  10          2HD1      LEU  10  -9.238  11.436   5.965
   62   3HD1  LEU  10          3HD1      LEU  10  -9.422  11.437   7.719
   63   1HD2  LEU  10          1HD2      LEU  10  -6.269   9.558   6.889
   64   2HD2  LEU  10          2HD2      LEU  10  -6.878  10.720   8.067
   65   3HD2  LEU  10          3HD2      LEU  10  -6.888  11.118   6.349
   66    H    SER  11           H        SER  11  -7.128   7.299  10.209
   67    HA   SER  11           HA       SER  11  -4.468   7.804   9.434
   68   1HB   SER  11          2HB       SER  11  -5.563   6.518  11.946
   69   2HB   SER  11          1HB       SER  11  -3.886   7.025  11.738
   70    HG   SER  11           HG       SER  11  -5.810   8.495  12.623
   71    H    LYS  12           H        LYS  12  -6.245   4.804   9.965
   72    HA   LYS  12           HA       LYS  12  -4.024   3.053   9.767
   73   1HB   LYS  12          2HB       LYS  12  -6.995   2.690   9.496
   74   2HB   LYS  12          1HB       LYS  12  -5.894   1.361   9.164
   75   1HG   LYS  12          2HG       LYS  12  -4.969   2.168  11.568
   76   2HG   LYS  12          1HG       LYS  12  -6.678   2.575  11.721
   77   1HD   LYS  12          2HD       LYS  12  -6.636   0.039  10.552
   78   2HD   LYS  12          1HD       LYS  12  -5.386  -0.007  11.798
   79   1HE   LYS  12          2HE       LYS  12  -6.923   0.570  13.498
   80   2HE   LYS  12          1HE       LYS  12  -8.155   1.041  12.328
   81   1HZ   LYS  12          1HZ       LYS  12  -8.192  -1.338  11.616
   82   2HZ   LYS  12          2HZ       LYS  12  -8.757  -1.066  13.186
   83   3HZ   LYS  12          3HZ       LYS  12  -7.208  -1.701  12.945
   84    H    GLN  13           H        GLN  13  -6.321   4.323   7.385
   85    HA   GLN  13           HA       GLN  13  -5.455   2.737   5.207
   86   1HB   GLN  13          2HB       GLN  13  -6.956   5.335   5.419
   87   2HB   GLN  13          1HB       GLN  13  -6.492   4.686   3.851
   88   1HG   GLN  13          2HG       GLN  13  -7.707   2.599   4.414
   89   2HG   GLN  13          1HG       GLN  13  -8.256   3.368   5.902
   90   1HE2  GLN  13          1HE2      GLN  13  -8.528   3.292   2.436
   91   2HE2  GLN  13          2HE2      GLN  13  -9.956   4.259   2.324
   92    H    MET  14           H        MET  14  -4.310   5.785   6.543
   93    HA   MET  14           HA       MET  14  -2.656   6.519   4.354
   94   1HB   MET  14          2HB       MET  14  -2.795   7.313   7.245
   95   2HB   MET  14          1HB       MET  14  -1.449   7.849   6.251
   96   1HG   MET  14          2HG       MET  14  -3.160   8.773   4.646
   97   2HG   MET  14          1HG       MET  14  -4.366   8.455   5.892
   98   1HE   MET  14          1HE       MET  14  -0.934  11.473   6.047
   99   2HE   MET  14          2HE       MET  14  -1.955  11.339   4.616
  100   3HE   MET  14          3HE       MET  14  -0.991   9.960   5.143
  101    H    GLU  15           H        GLU  15  -2.206   4.467   7.168
  102    HA   GLU  15           HA       GLU  15   0.625   4.225   6.933
  103   1HB   GLU  15          2HB       GLU  15  -1.515   2.964   8.552
  104   2HB   GLU  15          1HB       GLU  15  -0.034   2.037   8.349
  105   1HG   GLU  15          2HG       GLU  15   0.842   4.587   8.984
  106   2HG   GLU  15          1HG       GLU  15  -0.566   4.337  10.015
  107    H    GLU  16           H        GLU  16  -2.090   2.110   5.976
  108    HA   GLU  16           HA       GLU  16  -0.538   0.006   4.970
  109   1HB   GLU  16          2HB       GLU  16  -2.518  -0.807   3.930
  110   2HB   GLU  16          1HB       GLU  16  -3.020  -0.036   5.427
  111   1HG   GLU  16          2HG       GLU  16  -4.535   1.024   4.203
  112   2HG   GLU  16          1HG       GLU  16  -3.202   2.003   3.600
  113    H    GLU  17           H        GLU  17  -1.577   3.014   3.461
  114    HA   GLU  17           HA       GLU  17  -0.752   2.292   0.826
  115   1HB   GLU  17          2HB       GLU  17  -2.209   4.378   1.958
  116   2HB   GLU  17          1HB       GLU  17  -0.757   5.152   1.337
  117   1HG   GLU  17          2HG       GLU  17  -1.426   3.563  -0.751
  118   2HG   GLU  17          1HG       GLU  17  -3.015   3.943  -0.088
  119    H    ALA  18           H        ALA  18   0.761   3.931   3.546
  120    HA   ALA  18           HA       ALA  18   3.066   4.840   2.167
  121   1HB   ALA  18          1HB       ALA  18   4.035   5.122   4.425
  122   2HB   ALA  18          2HB       ALA  18   2.631   4.296   5.101
  123   3HB   ALA  18          3HB       ALA  18   2.432   5.839   4.269
  124    H    VAL  19           H        VAL  19   2.265   1.834   3.841
  125    HA   VAL  19           HA       VAL  19   4.851   0.716   3.942
  126    HB   VAL  19           HB       VAL  19   2.228  -0.769   3.663
  127   1HG1  VAL  19          1HG1      VAL  19   3.348  -2.676   3.948
  128   2HG1  VAL  19          2HG1      VAL  19   4.302  -2.006   5.273
  129   3HG1  VAL  19          3HG1      VAL  19   4.815  -1.758   3.603
  130   1HG2  VAL  19          1HG2      VAL  19   3.197  -0.769   6.334
  131   2HG2  VAL  19          2HG2      VAL  19   1.693  -0.093   5.708
  132   3HG2  VAL  19          3HG2      VAL  19   3.148   0.901   5.769
  133    H    ARG  20           H        ARG  20   2.301   0.539   1.470
  134    HA   ARG  20           HA       ARG  20   3.535  -1.271  -0.269
  135   1HB   ARG  20          2HB       ARG  20   1.525   0.926  -0.656
  136   2HB   ARG  20          1HB       ARG  20   2.159   0.055  -2.046
  137   1HG   ARG  20          2HG       ARG  20   1.461  -2.063  -0.741
  138   2HG   ARG  20          1HG       ARG  20   0.466  -0.953   0.202
  139   1HD   ARG  20          2HD       ARG  20   0.376  -1.134  -2.805
  140   2HD   ARG  20          1HD       ARG  20  -0.691  -2.048  -1.741
  141    HE   ARG  20           HE       ARG  20  -0.732   0.771  -1.218
  142   1HH1  ARG  20          1HH1      ARG  20  -2.068  -1.759  -3.240
  143   2HH1  ARG  20          2HH1      ARG  20  -3.512  -0.875  -3.599
  144   1HH2  ARG  20          1HH2      ARG  20  -2.635   1.928  -1.697
  145   2HH2  ARG  20          2HH2      ARG  20  -3.835   1.217  -2.725
  146    H    LEU  21           H        LEU  21   3.793   2.271  -0.083
  147    HA   LEU  21           HA       LEU  21   5.437   2.610  -2.351
  148   1HB   LEU  21          2HB       LEU  21   4.616   4.233  -0.033
  149   2HB   LEU  21          1HB       LEU  21   6.175   4.668  -0.709
  150    HG   LEU  21           HG       LEU  21   4.459   6.052  -1.684
  151   1HD1  LEU  21          1HD1      LEU  21   5.089   5.872  -3.896
  152   2HD1  LEU  21          2HD1      LEU  21   5.091   4.109  -3.863
  153   3HD1  LEU  21          3HD1      LEU  21   6.387   5.008  -3.074
  154   1HD2  LEU  21          1HD2      LEU  21   2.403   5.293  -2.015
  155   2HD2  LEU  21          2HD2      LEU  21   2.926   3.657  -1.614
  156   3HD2  LEU  21          3HD2      LEU  21   3.002   4.223  -3.284
  157    H    PHE  22           H        PHE  22   6.196   2.182   1.089
  158    HA   PHE  22           HA       PHE  22   8.996   2.387   0.872
  159   1HB   PHE  22          2HB       PHE  22   7.981   2.567   3.036
  160   2HB   PHE  22          1HB       PHE  22   7.217   0.991   2.879
  161    HD1  PHE  22           1HD      PHE  22   8.153  -0.743   4.030
  162    HD2  PHE  22           2HD      PHE  22  10.644   2.477   2.789
  163    HE1  PHE  22           1HE      PHE  22  10.070  -1.790   5.168
  164    HE2  PHE  22           2HE      PHE  22  12.563   1.437   3.923
  165    HZ   PHE  22           HZ       PHE  22  12.278  -0.700   5.114
  166    H    ILE  23           H        ILE  23   6.791  -0.384   0.681
  167    HA   ILE  23           HA       ILE  23   8.722  -2.420   0.475
  168    HB   ILE  23           HB       ILE  23   5.876  -2.260  -0.524
  169   1HG1  ILE  23          2HG1      ILE  23   6.930  -4.025   1.667
  170   2HG1  ILE  23          1HG1      ILE  23   6.543  -2.338   1.990
  171   1HG2  ILE  23          1HG2      ILE  23   5.982  -4.699  -0.849
  172   2HG2  ILE  23          2HG2      ILE  23   7.718  -4.646  -0.553
  173   3HG2  ILE  23          3HG2      ILE  23   7.038  -3.824  -1.956
  174   1HD1  ILE  23          1HD1      ILE  23   4.260  -2.678   1.429
  175   2HD1  ILE  23          2HD1      ILE  23   4.735  -3.971   2.529
  176   3HD1  ILE  23          3HD1      ILE  23   4.593  -4.291   0.800
  177    H    GLU  24           H        GLU  24   7.062  -0.484  -2.007
  178    HA   GLU  24           HA       GLU  24   8.158  -1.743  -4.267
  179   1HB   GLU  24          2HB       GLU  24   6.230  -0.178  -4.314
  180   2HB   GLU  24          1HB       GLU  24   7.327   1.152  -3.969
  181   1HG   GLU  24          2HG       GLU  24   8.548   0.250  -6.125
  182   2HG   GLU  24          1HG       GLU  24   6.946  -0.400  -6.473
  183    H    TRP  25           H        TRP  25   9.306   0.951  -2.282
  184    HA   TRP  25           HA       TRP  25  11.521   1.663  -3.875
  185   1HB   TRP  25          2HB       TRP  25  10.745   3.201  -2.205
  186   2HB   TRP  25          1HB       TRP  25  10.958   2.012  -0.927
  187    HD1  TRP  25           HD       TRP  25  13.168   4.019  -3.412
  188    HE1  TRP  25           1HE      TRP  25  15.406   4.522  -2.243
  189    HE3  TRP  25           3HE      TRP  25  12.393   1.481   0.958
  190    HZ2  TRP  25           2HZ      TRP  25  16.675   3.924   0.205
  191    HZ3  TRP  25           3HZ      TRP  25  14.169   1.496   2.661
  192    HH2  TRP  25           HH       TRP  25  16.265   2.692   2.291
  193    H    LEU  26           H        LEU  26  11.119  -0.706  -1.278
  194    HA   LEU  26           HA       LEU  26  13.884  -1.379  -1.097
  195   1HB   LEU  26          2HB       LEU  26  11.374  -2.781  -0.203
  196   2HB   LEU  26          1HB       LEU  26  12.969  -3.457   0.056
  197    HG   LEU  26           HG       LEU  26  11.919  -0.862   1.187
  198   1HD1  LEU  26          1HD1      LEU  26  12.288  -3.618   2.249
  199   2HD1  LEU  26          2HD1      LEU  26  10.990  -2.459   2.535
  200   3HD1  LEU  26          3HD1      LEU  26  12.550  -2.248   3.329
  201   1HD2  LEU  26          1HD2      LEU  26  14.281  -0.650   0.651
  202   2HD2  LEU  26          2HD2      LEU  26  14.626  -2.156   1.500
  203   3HD2  LEU  26          3HD2      LEU  26  14.052  -0.751   2.397
  204    H    LYS  27           H        LYS  27  11.193  -2.487  -3.049
  205    HA   LYS  27           HA       LYS  27  12.355  -4.877  -4.015
  206   1HB   LYS  27          2HB       LYS  27  10.163  -3.085  -5.037
  207   2HB   LYS  27          1HB       LYS  27  10.681  -4.503  -5.936
  208   1HG   LYS  27          2HG       LYS  27   9.922  -4.774  -3.063
  209   2HG   LYS  27          1HG       LYS  27   8.669  -4.656  -4.299
  210   1HD   LYS  27          2HD       LYS  27  10.175  -6.512  -5.458
  211   2HD   LYS  27          1HD       LYS  27  10.641  -6.817  -3.783
  212   1HE   LYS  27          2HE       LYS  27   8.115  -6.842  -3.305
  213   2HE   LYS  27          1HE       LYS  27   7.928  -7.012  -5.050
  214   1HZ   LYS  27          1HZ       LYS  27   7.931  -9.168  -4.049
  215   2HZ   LYS  27          2HZ       LYS  27   9.378  -8.857  -3.231
  216   3HZ   LYS  27          3HZ       LYS  27   9.374  -8.995  -4.917
  217    H    ASN  28           H        ASN  28  12.525  -1.517  -5.116
  218    HA   ASN  28           HA       ASN  28  13.888  -2.187  -7.555
  219   1HB   ASN  28          2HB       ASN  28  14.066   0.189  -7.932
  220   2HB   ASN  28          1HB       ASN  28  12.451  -0.169  -7.332
  221   1HD2  ASN  28          1HD2      ASN  28  11.886   1.658  -6.345
  222   2HD2  ASN  28          2HD2      ASN  28  12.779   2.421  -5.078
  223    H    GLY  29           H        GLY  29  14.933  -2.220  -4.396
  224   1HA   GLY  29          2HA       GLY  29  17.363  -2.973  -4.374
  225   2HA   GLY  29          1HA       GLY  29  17.674  -1.423  -5.136
  226    H    GLY  30           H        GLY  30  15.338  -0.440  -3.252
  227   1HA   GLY  30          2HA       GLY  30  15.177   0.579  -1.207
  228   2HA   GLY  30          1HA       GLY  30  16.313  -0.621  -0.611
  229    HA   PRO  31           HA       PRO  31  18.736   3.146   0.026
  230   1HB   PRO  31          2HB       PRO  31  20.661   1.193   1.133
  231   2HB   PRO  31          1HB       PRO  31  19.962   2.632   1.880
  232   1HG   PRO  31          2HG       PRO  31  19.204   0.180   2.627
  233   2HG   PRO  31          1HG       PRO  31  18.045   1.519   2.544
  234   1HD   PRO  31          2HD       PRO  31  18.490  -0.727   0.614
  235   2HD   PRO  31          1HD       PRO  31  16.966  -0.003   1.170
  236    H    SER  32           H        SER  32  19.819   0.125  -1.457
  237    HA   SER  32           HA       SER  32  22.066   1.496  -2.730
  238   1HB   SER  32          2HB       SER  32  21.348  -1.356  -2.226
  239   2HB   SER  32          1HB       SER  32  22.380  -0.991  -3.606
  240    HG   SER  32           HG       SER  32  22.915  -0.839  -0.903
  241    H    SER  33           H        SER  33  19.540   2.332  -3.612
  242    HA   SER  33           HA       SER  33  19.402   1.160  -6.314
  243   1HB   SER  33          2HB       SER  33  17.327   0.945  -4.901
  244   2HB   SER  33          1HB       SER  33  17.201   2.704  -4.926
  245    HG   SER  33           HG       SER  33  16.639   0.867  -6.894
  246    H    GLY  34           H        GLY  34  19.580   4.145  -4.445
  247   1HA   GLY  34          2HA       GLY  34  21.059   5.784  -5.752
  248   2HA   GLY  34          1HA       GLY  34  19.783   5.686  -6.950
  249    H    ALA  35           H        ALA  35  17.525   5.747  -5.415
  250    HA   ALA  35           HA       ALA  35  17.612   8.486  -4.379
  251   1HB   ALA  35          1HB       ALA  35  16.003   7.795  -6.211
  252   2HB   ALA  35          2HB       ALA  35  15.300   8.635  -4.828
  253   3HB   ALA  35          3HB       ALA  35  15.136   6.886  -4.973
  254    HA   PRO  36           HA       PRO  36  16.990   7.290  -0.175
  255   1HB   PRO  36          2HB       PRO  36  15.406   9.300   0.742
  256   2HB   PRO  36          1HB       PRO  36  17.122   9.515   0.383
  257   1HG   PRO  36          2HG       PRO  36  14.736  10.200  -1.294
  258   2HG   PRO  36          1HG       PRO  36  16.201  11.155  -0.990
  259   1HD   PRO  36          2HD       PRO  36  15.852   9.739  -3.261
  260   2HD   PRO  36          1HD       PRO  36  17.450   9.960  -2.521
  261    HA   PRO  37           HA       PRO  37  13.224   5.080   0.449
  262   1HB   PRO  37          2HB       PRO  37  12.623   5.561   3.075
  263   2HB   PRO  37          1HB       PRO  37  13.890   4.451   2.543
  264   1HG   PRO  37          2HG       PRO  37  14.123   7.282   3.483
  265   2HG   PRO  37          1HG       PRO  37  15.148   5.886   3.866
  266   1HD   PRO  37          2HD       PRO  37  15.887   7.736   2.058
  267   2HD   PRO  37          1HD       PRO  37  16.300   6.020   1.866
  268    HA   PRO  38           HA       PRO  38   9.808   7.878   0.017
  269   1HB   PRO  38          2HB       PRO  38   7.782   6.133   0.003
  270   2HB   PRO  38          1HB       PRO  38   8.986   6.154  -1.292
  271   1HG   PRO  38          2HG       PRO  38   8.753   4.319   1.057
  272   2HG   PRO  38          1HG       PRO  38   9.157   3.937  -0.627
  273   1HD   PRO  38          2HD       PRO  38  11.006   4.233   1.398
  274   2HD   PRO  38          1HD       PRO  38  11.362   4.433  -0.327
  275    H    SER  39           H        SER  39  10.469   6.330   2.930
  276    HA   SER  39           HA       SER  39   9.890   6.839   5.071
  277   1HB   SER  39          2HB       SER  39   9.155   9.125   3.827
  278   2HB   SER  39          1HB       SER  39   7.582   8.572   4.400
  279    HG   SER  39           HG       SER  39   9.032   9.931   5.839
  Start of MODEL   17
    1   1H    HIS   1          1HT       HIS   1 -23.140   4.690  15.296
    2   2H    HIS   1          2HT       HIS   1 -21.981   4.467  14.050
    3   3H    HIS   1          3HT       HIS   1 -22.794   3.113  14.720
    4    HA   HIS   1           HA       HIS   1 -24.893   4.077  13.928
    5   1HB   HIS   1          2HB       HIS   1 -23.951   6.383  13.730
    6   2HB   HIS   1          1HB       HIS   1 -23.007   5.843  12.347
    7    HD1  HIS   1           1HD      HIS   1 -26.606   4.858  12.866
    8    HD2  HIS   1           2HD      HIS   1 -24.337   7.397  10.486
    9    HE1  HIS   1           1HE      HIS   1 -28.178   5.698  11.094
   10    HE2  HIS   1           2HE      HIS   1 -26.806   7.307   9.723
   11    H    GLY   2           H        GLY   2 -21.886   3.882  11.993
   12   1HA   GLY   2          2HA       GLY   2 -21.656   1.550  10.963
   13   2HA   GLY   2          1HA       GLY   2 -23.228   1.906  10.262
   14    H    GLU   3           H        GLU   3 -23.393   3.376   8.566
   15    HA   GLU   3           HA       GLU   3 -21.002   3.658   6.990
   16   1HB   GLU   3          2HB       GLU   3 -22.475   4.636   5.288
   17   2HB   GLU   3          1HB       GLU   3 -23.114   3.117   5.897
   18   1HG   GLU   3          2HG       GLU   3 -24.438   4.720   7.518
   19   2HG   GLU   3          1HG       GLU   3 -24.143   5.882   6.226
   20    H    GLY   4           H        GLY   4 -19.616   5.278   7.120
   21   1HA   GLY   4          2HA       GLY   4 -19.524   7.787   6.806
   22   2HA   GLY   4          1HA       GLY   4 -20.551   7.852   8.229
   23    H    THR   5           H        THR   5 -17.553   6.132   7.325
   24    HA   THR   5           HA       THR   5 -16.214   7.355   9.627
   25    HB   THR   5           HB       THR   5 -15.168   5.055  10.079
   26    HG1  THR   5           1HG      THR   5 -15.944   3.385   9.078
   27   1HG2  THR   5          1HG2      THR   5 -18.095   5.006  10.657
   28   2HG2  THR   5          2HG2      THR   5 -17.041   6.190  11.430
   29   3HG2  THR   5          3HG2      THR   5 -16.745   4.466  11.655
   30    H    PHE   6           H        PHE   6 -15.854   8.201   7.078
   31    HA   PHE   6           HA       PHE   6 -13.710   6.863   5.744
   32   1HB   PHE   6          2HB       PHE   6 -15.499   8.986   5.158
   33   2HB   PHE   6          1HB       PHE   6 -13.867   9.616   4.973
   34    HD1  PHE   6           1HD      PHE   6 -12.272   8.413   3.442
   35    HD2  PHE   6           2HD      PHE   6 -16.443   7.572   3.547
   36    HE1  PHE   6           1HE      PHE   6 -12.109   7.346   1.231
   37    HE2  PHE   6           2HE      PHE   6 -16.287   6.504   1.337
   38    HZ   PHE   6           HZ       PHE   6 -14.118   6.390   0.176
   39    H    THR   7           H        THR   7 -13.919   9.457   8.105
   40    HA   THR   7           HA       THR   7 -11.331  10.500   7.832
   41    HB   THR   7           HB       THR   7 -11.723  11.060  10.364
   42    HG1  THR   7           1HG      THR   7 -13.515  10.365  11.163
   43   1HG2  THR   7          1HG2      THR   7 -13.732  12.186   8.451
   44   2HG2  THR   7          2HG2      THR   7 -12.023  12.614   8.396
   45   3HG2  THR   7          3HG2      THR   7 -12.975  12.966   9.837
   46    H    SER   8           H        SER   8 -12.575   7.972   9.986
   47    HA   SER   8           HA       SER   8 -10.108   7.403  11.244
   48   1HB   SER   8          2HB       SER   8 -11.197   5.371  12.063
   49   2HB   SER   8          1HB       SER   8 -12.293   6.745  12.198
   50    HG   SER   8           HG       SER   8 -13.450   5.995  10.486
   51    H    ASP   9           H        ASP   9 -11.714   6.045   8.408
   52    HA   ASP   9           HA       ASP   9  -9.868   3.945   7.962
   53   1HB   ASP   9          2HB       ASP   9 -12.051   5.237   6.409
   54   2HB   ASP   9          1HB       ASP   9 -10.862   4.304   5.504
   55    H    LEU  10           H        LEU  10  -9.992   7.301   6.901
   56    HA   LEU  10           HA       LEU  10  -7.967   7.171   4.947
   57   1HB   LEU  10          2HB       LEU  10  -9.590   9.172   6.121
   58   2HB   LEU  10          1HB       LEU  10  -7.929   9.709   6.282
   59    HG   LEU  10           HG       LEU  10  -8.955  10.584   4.246
   60   1HD1  LEU  10          1HD1      LEU  10  -6.487   9.784   4.438
   61   2HD1  LEU  10          2HD1      LEU  10  -7.142  10.243   2.866
   62   3HD1  LEU  10          3HD1      LEU  10  -6.996   8.540   3.297
   63   1HD2  LEU  10          1HD2      LEU  10 -10.048   7.988   4.054
   64   2HD2  LEU  10          2HD2      LEU  10  -9.014   8.222   2.645
   65   3HD2  LEU  10          3HD2      LEU  10 -10.312   9.366   2.985
   66    H    SER  11           H        SER  11  -7.852   7.716   8.440
   67    HA   SER  11           HA       SER  11  -5.154   8.442   8.654
   68   1HB   SER  11          2HB       SER  11  -6.790   6.916  10.692
   69   2HB   SER  11          1HB       SER  11  -5.346   7.875  11.010
   70    HG   SER  11           HG       SER  11  -6.467   9.706  10.680
   71    H    LYS  12           H        LYS  12  -6.709   5.263   8.769
   72    HA   LYS  12           HA       LYS  12  -4.249   3.846   9.185
   73   1HB   LYS  12          2HB       LYS  12  -7.083   3.204   9.024
   74   2HB   LYS  12          1HB       LYS  12  -6.093   2.015   8.189
   75   1HG   LYS  12          2HG       LYS  12  -4.813   1.601  10.181
   76   2HG   LYS  12          1HG       LYS  12  -5.655   2.898  11.032
   77   1HD   LYS  12          2HD       LYS  12  -7.560   1.669  11.306
   78   2HD   LYS  12          1HD       LYS  12  -7.302   0.738   9.830
   79   1HE   LYS  12          2HE       LYS  12  -5.544  -0.539  10.922
   80   2HE   LYS  12          1HE       LYS  12  -5.734   0.420  12.389
   81   1HZ   LYS  12          1HZ       LYS  12  -7.504  -0.764  13.015
   82   2HZ   LYS  12          2HZ       LYS  12  -6.986  -1.917  11.892
   83   3HZ   LYS  12          3HZ       LYS  12  -8.179  -0.798  11.462
   84    H    GLN  13           H        GLN  13  -6.262   4.638   6.395
   85    HA   GLN  13           HA       GLN  13  -5.035   2.970   4.503
   86   1HB   GLN  13          2HB       GLN  13  -7.196   4.357   4.304
   87   2HB   GLN  13          1HB       GLN  13  -6.145   5.688   3.841
   88   1HG   GLN  13          2HG       GLN  13  -6.413   4.949   1.762
   89   2HG   GLN  13          1HG       GLN  13  -5.279   3.675   2.208
   90   1HE2  GLN  13          1HE2      GLN  13  -8.398   4.387   1.139
   91   2HE2  GLN  13          2HE2      GLN  13  -9.075   2.803   1.275
   92    H    MET  14           H        MET  14  -4.293   6.303   5.490
   93    HA   MET  14           HA       MET  14  -2.289   6.838   3.612
   94   1HB   MET  14          2HB       MET  14  -3.033   7.930   6.279
   95   2HB   MET  14          1HB       MET  14  -1.434   8.326   5.666
   96   1HG   MET  14          2HG       MET  14  -2.780   8.956   3.499
   97   2HG   MET  14          1HG       MET  14  -4.111   9.114   4.643
   98   1HE   MET  14          1HE       MET  14  -1.334  11.878   3.203
   99   2HE   MET  14          2HE       MET  14  -2.994  12.440   3.390
  100   3HE   MET  14          3HE       MET  14  -2.671  10.881   2.630
  101    H    GLU  15           H        GLU  15  -2.058   5.431   6.869
  102    HA   GLU  15           HA       GLU  15   0.760   5.152   6.883
  103   1HB   GLU  15          2HB       GLU  15  -1.423   3.764   8.440
  104   2HB   GLU  15          1HB       GLU  15   0.287   3.457   8.715
  105   1HG   GLU  15          2HG       GLU  15   0.663   5.677   9.442
  106   2HG   GLU  15          1HG       GLU  15  -0.929   6.198   8.890
  107    H    GLU  16           H        GLU  16  -1.869   2.946   5.988
  108    HA   GLU  16           HA       GLU  16  -0.303   0.661   5.511
  109   1HB   GLU  16          2HB       GLU  16  -2.996   1.566   4.531
  110   2HB   GLU  16          1HB       GLU  16  -2.279   0.077   3.932
  111   1HG   GLU  16          2HG       GLU  16  -2.369   0.444   6.867
  112   2HG   GLU  16          1HG       GLU  16  -3.899   0.160   6.039
  113    H    GLU  17           H        GLU  17  -1.288   3.314   3.371
  114    HA   GLU  17           HA       GLU  17  -0.279   2.267   0.971
  115   1HB   GLU  17          2HB       GLU  17  -1.658   4.522   1.661
  116   2HB   GLU  17          1HB       GLU  17  -0.076   5.189   1.280
  117   1HG   GLU  17          2HG       GLU  17  -1.433   3.299  -0.599
  118   2HG   GLU  17          1HG       GLU  17  -1.846   5.014  -0.579
  119    H    ALA  18           H        ALA  18   1.257   4.165   3.517
  120    HA   ALA  18           HA       ALA  18   3.678   4.740   2.227
  121   1HB   ALA  18          1HB       ALA  18   3.327   4.243   5.180
  122   2HB   ALA  18          2HB       ALA  18   2.879   5.745   4.371
  123   3HB   ALA  18          3HB       ALA  18   4.564   5.224   4.393
  124    H    VAL  19           H        VAL  19   2.654   1.914   4.101
  125    HA   VAL  19           HA       VAL  19   5.140   0.607   4.240
  126    HB   VAL  19           HB       VAL  19   2.418  -0.706   4.082
  127   1HG1  VAL  19          1HG1      VAL  19   3.564  -2.461   5.468
  128   2HG1  VAL  19          2HG1      VAL  19   5.089  -1.659   5.096
  129   3HG1  VAL  19          3HG1      VAL  19   4.113  -2.347   3.797
  130   1HG2  VAL  19          1HG2      VAL  19   2.803  -0.723   6.662
  131   2HG2  VAL  19          2HG2      VAL  19   2.150   0.714   5.878
  132   3HG2  VAL  19          3HG2      VAL  19   3.855   0.651   6.322
  133    H    ARG  20           H        ARG  20   2.459   0.207   1.916
  134    HA   ARG  20           HA       ARG  20   3.679  -1.675   0.245
  135   1HB   ARG  20          2HB       ARG  20   1.669   0.483  -0.435
  136   2HB   ARG  20          1HB       ARG  20   2.098  -0.847  -1.501
  137   1HG   ARG  20          2HG       ARG  20   1.430  -2.198   0.748
  138   2HG   ARG  20          1HG       ARG  20   0.358  -0.800   0.863
  139   1HD   ARG  20          2HD       ARG  20  -1.006  -1.797  -0.576
  140   2HD   ARG  20          1HD       ARG  20   0.242  -1.635  -1.810
  141    HE   ARG  20           HE       ARG  20  -0.418  -4.020  -0.278
  142   1HH1  ARG  20          1HH1      ARG  20   1.753  -2.488  -2.566
  143   2HH1  ARG  20          2HH1      ARG  20   2.414  -3.987  -3.123
  144   1HH2  ARG  20          1HH2      ARG  20   0.462  -5.985  -1.018
  145   2HH2  ARG  20          2HH2      ARG  20   1.683  -5.971  -2.247
  146    H    LEU  21           H        LEU  21   3.823   1.877   0.195
  147    HA   LEU  21           HA       LEU  21   5.275   2.150  -2.207
  148   1HB   LEU  21          2HB       LEU  21   4.337   3.854  -0.138
  149   2HB   LEU  21          1HB       LEU  21   6.052   4.168  -0.319
  150    HG   LEU  21           HG       LEU  21   4.254   4.140  -2.719
  151   1HD1  LEU  21          1HD1      LEU  21   3.316   5.664  -0.959
  152   2HD1  LEU  21          2HD1      LEU  21   3.769   6.449  -2.472
  153   3HD1  LEU  21          3HD1      LEU  21   4.817   6.584  -1.060
  154   1HD2  LEU  21          1HD2      LEU  21   5.953   5.346  -3.757
  155   2HD2  LEU  21          2HD2      LEU  21   6.828   4.173  -2.772
  156   3HD2  LEU  21          3HD2      LEU  21   6.671   5.844  -2.225
  157    H    PHE  22           H        PHE  22   6.279   1.735   1.157
  158    HA   PHE  22           HA       PHE  22   9.066   1.945   0.737
  159   1HB   PHE  22          2HB       PHE  22   8.306   2.176   2.966
  160   2HB   PHE  22          1HB       PHE  22   7.368   0.692   2.893
  161    HD1  PHE  22           1HD      PHE  22   8.217  -1.221   3.835
  162    HD2  PHE  22           2HD      PHE  22  10.892   1.898   2.729
  163    HE1  PHE  22           1HE      PHE  22  10.075  -2.450   4.881
  164    HE2  PHE  22           2HE      PHE  22  12.754   0.675   3.774
  165    HZ   PHE  22           HZ       PHE  22  12.346  -1.499   4.854
  166    H    ILE  23           H        ILE  23   6.774  -0.732   0.539
  167    HA   ILE  23           HA       ILE  23   8.598  -2.866   0.323
  168    HB   ILE  23           HB       ILE  23   5.862  -2.625  -0.957
  169   1HG1  ILE  23          2HG1      ILE  23   5.379  -2.408   1.303
  170   2HG1  ILE  23          1HG1      ILE  23   5.287  -4.150   1.084
  171   1HG2  ILE  23          1HG2      ILE  23   7.189  -4.414  -1.932
  172   2HG2  ILE  23          2HG2      ILE  23   5.853  -5.059  -0.980
  173   3HG2  ILE  23          3HG2      ILE  23   7.492  -5.078  -0.326
  174   1HD1  ILE  23          1HD1      ILE  23   6.468  -3.437   3.139
  175   2HD1  ILE  23          2HD1      ILE  23   7.711  -2.708   2.122
  176   3HD1  ILE  23          3HD1      ILE  23   7.441  -4.449   2.071
  177    H    GLU  24           H        GLU  24   7.048  -0.842  -2.161
  178    HA   GLU  24           HA       GLU  24   8.245  -2.073  -4.402
  179   1HB   GLU  24          2HB       GLU  24   6.259  -0.454  -4.349
  180   2HB   GLU  24          1HB       GLU  24   7.451   0.833  -4.252
  181   1HG   GLU  24          2HG       GLU  24   8.186   0.511  -6.397
  182   2HG   GLU  24          1HG       GLU  24   7.681  -1.179  -6.432
  183    H    TRP  25           H        TRP  25   9.237   0.575  -2.300
  184    HA   TRP  25           HA       TRP  25  11.434   1.495  -3.780
  185   1HB   TRP  25          2HB       TRP  25  10.516   2.804  -1.966
  186   2HB   TRP  25          1HB       TRP  25  10.902   1.541  -0.805
  187    HD1  TRP  25           HD       TRP  25  12.801   3.946  -3.193
  188    HE1  TRP  25           1HE      TRP  25  15.023   4.582  -2.060
  189    HE3  TRP  25           3HE      TRP  25  12.446   1.024   0.984
  190    HZ2  TRP  25           2HZ      TRP  25  16.438   3.931   0.296
  191    HZ3  TRP  25           3HZ      TRP  25  14.275   1.087   2.627
  192    HH2  TRP  25           HH       TRP  25  16.229   2.510   2.289
  193    H    LEU  26           H        LEU  26  11.140  -1.102  -1.385
  194    HA   LEU  26           HA       LEU  26  13.939  -1.646  -1.262
  195   1HB   LEU  26          2HB       LEU  26  11.509  -3.237  -0.467
  196   2HB   LEU  26          1HB       LEU  26  13.140  -3.843  -0.258
  197    HG   LEU  26           HG       LEU  26  11.975  -1.378   1.042
  198   1HD1  LEU  26          1HD1      LEU  26  11.095  -3.040   2.315
  199   2HD1  LEU  26          2HD1      LEU  26  12.681  -2.923   3.078
  200   3HD1  LEU  26          3HD1      LEU  26  12.366  -4.191   1.895
  201   1HD2  LEU  26          1HD2      LEU  26  14.703  -2.613   1.417
  202   2HD2  LEU  26          2HD2      LEU  26  14.069  -1.173   2.216
  203   3HD2  LEU  26          3HD2      LEU  26  14.379  -1.154   0.479
  204    H    LYS  27           H        LYS  27  11.291  -2.752  -3.276
  205    HA   LYS  27           HA       LYS  27  12.583  -4.994  -4.420
  206   1HB   LYS  27          2HB       LYS  27  10.149  -3.416  -4.941
  207   2HB   LYS  27          1HB       LYS  27  10.829  -4.211  -6.353
  208   1HG   LYS  27          2HG       LYS  27  10.723  -6.359  -5.218
  209   2HG   LYS  27          1HG       LYS  27  10.085  -5.574  -3.773
  210   1HD   LYS  27          2HD       LYS  27   8.599  -4.979  -6.233
  211   2HD   LYS  27          1HD       LYS  27   8.569  -6.678  -5.757
  212   1HE   LYS  27          2HE       LYS  27   8.162  -5.170  -3.411
  213   2HE   LYS  27          1HE       LYS  27   7.132  -4.460  -4.651
  214   1HZ   LYS  27          1HZ       LYS  27   7.197  -7.359  -4.020
  215   2HZ   LYS  27          2HZ       LYS  27   6.101  -6.559  -5.030
  216   3HZ   LYS  27          3HZ       LYS  27   6.076  -6.275  -3.362
  217    H    ASN  28           H        ASN  28  12.502  -1.562  -5.298
  218    HA   ASN  28           HA       ASN  28  13.856  -1.969  -7.794
  219   1HB   ASN  28          2HB       ASN  28  13.882   0.429  -8.007
  220   2HB   ASN  28          1HB       ASN  28  12.312  -0.060  -7.386
  221   1HD2  ASN  28          1HD2      ASN  28  11.676   1.652  -6.255
  222   2HD2  ASN  28          2HD2      ASN  28  12.564   2.381  -4.966
  223    H    GLY  29           H        GLY  29  14.968  -2.049  -4.621
  224   1HA   GLY  29          2HA       GLY  29  17.449  -2.702  -4.738
  225   2HA   GLY  29          1HA       GLY  29  17.644  -1.082  -5.384
  226    H    GLY  30           H        GLY  30  15.322  -0.381  -3.362
  227   1HA   GLY  30          2HA       GLY  30  15.166   0.444  -1.233
  228   2HA   GLY  30          1HA       GLY  30  16.411  -0.707  -0.776
  229    HA   PRO  31           HA       PRO  31  18.550   3.196   0.074
  230   1HB   PRO  31          2HB       PRO  31  20.631   1.341   1.050
  231   2HB   PRO  31          1HB       PRO  31  19.817   2.664   1.891
  232   1HG   PRO  31          2HG       PRO  31  19.285   0.104   2.469
  233   2HG   PRO  31          1HG       PRO  31  18.022   1.347   2.508
  234   1HD   PRO  31          2HD       PRO  31  18.589  -0.718   0.416
  235   2HD   PRO  31          1HD       PRO  31  17.030  -0.142   1.040
  236    H    SER  32           H        SER  32  19.902   0.332  -1.511
  237    HA   SER  32           HA       SER  32  21.991   1.952  -2.759
  238   1HB   SER  32          2HB       SER  32  22.315  -0.415  -1.701
  239   2HB   SER  32          1HB       SER  32  21.656  -0.994  -3.229
  240    HG   SER  32           HG       SER  32  24.044   0.405  -2.735
  241    H    SER  33           H        SER  33  19.386   2.568  -3.616
  242    HA   SER  33           HA       SER  33  19.331   1.446  -6.342
  243   1HB   SER  33          2HB       SER  33  17.295   1.018  -4.949
  244   2HB   SER  33          1HB       SER  33  17.031   2.760  -4.880
  245    HG   SER  33           HG       SER  33  16.182   2.649  -6.790
  246    H    GLY  34           H        GLY  34  19.363   4.394  -4.435
  247   1HA   GLY  34          2HA       GLY  34  20.521   6.308  -5.415
  248   2HA   GLY  34          1HA       GLY  34  19.722   5.929  -6.933
  249    H    ALA  35           H        ALA  35  18.121   5.871  -3.800
  250    HA   ALA  35           HA       ALA  35  17.029   8.490  -3.945
  251   1HB   ALA  35          1HB       ALA  35  15.063   8.222  -4.993
  252   2HB   ALA  35          2HB       ALA  35  14.783   6.637  -4.273
  253   3HB   ALA  35          3HB       ALA  35  15.809   6.788  -5.698
  254    HA   PRO  36           HA       PRO  36  16.350   7.522   0.314
  255   1HB   PRO  36          2HB       PRO  36  14.448   9.367   0.946
  256   2HB   PRO  36          1HB       PRO  36  16.152   9.768   0.714
  257   1HG   PRO  36          2HG       PRO  36  13.859  10.068  -1.181
  258   2HG   PRO  36          1HG       PRO  36  15.201  11.183  -0.860
  259   1HD   PRO  36          2HD       PRO  36  15.133   9.558  -3.026
  260   2HD   PRO  36          1HD       PRO  36  16.647  10.033  -2.234
  261    HA   PRO  37           HA       PRO  37  12.859   4.834   0.673
  262   1HB   PRO  37          2HB       PRO  37  12.407   4.880   3.349
  263   2HB   PRO  37          1HB       PRO  37  13.795   4.059   2.626
  264   1HG   PRO  37          2HG       PRO  37  13.653   6.770   3.891
  265   2HG   PRO  37          1HG       PRO  37  14.878   5.504   4.098
  266   1HD   PRO  37          2HD       PRO  37  15.264   7.625   2.473
  267   2HD   PRO  37          1HD       PRO  37  15.927   6.018   2.104
  268    HA   PRO  38           HA       PRO  38   9.306   7.521   0.523
  269   1HB   PRO  38          2HB       PRO  38   7.393   5.595   0.349
  270   2HB   PRO  38          1HB       PRO  38   8.423   6.056  -1.009
  271   1HG   PRO  38          2HG       PRO  38   8.674   3.740   0.865
  272   2HG   PRO  38          1HG       PRO  38   8.887   3.782  -0.894
  273   1HD   PRO  38          2HD       PRO  38  10.977   3.792   0.818
  274   2HD   PRO  38          1HD       PRO  38  11.021   4.636  -0.743
  275    H    SER  39           H        SER  39   8.918   8.549   2.411
  276    HA   SER  39           HA       SER  39   8.272   7.108   4.829
  277   1HB   SER  39          2HB       SER  39   9.457   9.523   4.371
  278   2HB   SER  39          1HB       SER  39   7.819  10.025   4.791
  279    HG   SER  39           HG       SER  39   9.765   8.802   6.351
  Start of MODEL   18
    1   1H    HIS   1          1HT       HIS   1 -27.720   7.191  11.382
    2   2H    HIS   1          2HT       HIS   1 -26.571   6.266  10.504
    3   3H    HIS   1          3HT       HIS   1 -28.247   6.104  10.164
    4    HA   HIS   1           HA       HIS   1 -27.182   7.388   8.493
    5   1HB   HIS   1          2HB       HIS   1 -29.152   8.635  10.376
    6   2HB   HIS   1          1HB       HIS   1 -28.564   9.575   9.009
    7    HD1  HIS   1           1HD      HIS   1 -28.989   8.425   6.591
    8    HD2  HIS   1           2HD      HIS   1 -31.187   6.926   9.784
    9    HE1  HIS   1           1HE      HIS   1 -30.899   7.157   5.557
   10    HE2  HIS   1           2HE      HIS   1 -32.165   6.186   7.506
   11    H    GLY   2           H        GLY   2 -25.757   8.957   7.863
   12   1HA   GLY   2          2HA       GLY   2 -24.654  11.102   8.414
   13   2HA   GLY   2          1HA       GLY   2 -24.395  10.449  10.023
   14    H    GLU   3           H        GLU   3 -22.225  10.369  10.173
   15    HA   GLU   3           HA       GLU   3 -20.810   8.694   8.208
   16   1HB   GLU   3          2HB       GLU   3 -19.811  11.273   9.432
   17   2HB   GLU   3          1HB       GLU   3 -18.827  10.176   8.472
   18   1HG   GLU   3          2HG       GLU   3 -19.403  11.509   6.776
   19   2HG   GLU   3          1HG       GLU   3 -20.908  10.591   6.792
   20    H    GLY   4           H        GLY   4 -19.228   7.335   9.011
   21   1HA   GLY   4          2HA       GLY   4 -19.251   7.006  11.934
   22   2HA   GLY   4          1HA       GLY   4 -18.814   5.770  10.765
   23    H    THR   5           H        THR   5 -17.691   9.123  11.232
   24    HA   THR   5           HA       THR   5 -15.627  10.024  11.468
   25    HB   THR   5           HB       THR   5 -14.789   7.407  12.718
   26    HG1  THR   5           1HG      THR   5 -16.251   9.546  13.873
   27   1HG2  THR   5          1HG2      THR   5 -13.370   9.743  12.358
   28   2HG2  THR   5          2HG2      THR   5 -13.007   8.457  13.509
   29   3HG2  THR   5          3HG2      THR   5 -13.956   9.853  14.018
   30    H    PHE   6           H        PHE   6 -15.224  10.109   9.239
   31    HA   PHE   6           HA       PHE   6 -14.088   7.984   7.753
   32   1HB   PHE   6          2HB       PHE   6 -13.691   9.617   6.012
   33   2HB   PHE   6          1HB       PHE   6 -15.267   9.921   6.731
   34    HD1  PHE   6           1HD      PHE   6 -11.848  11.160   6.333
   35    HD2  PHE   6           2HD      PHE   6 -15.679  11.918   8.029
   36    HE1  PHE   6           1HE      PHE   6 -11.204  13.499   6.737
   37    HE2  PHE   6           2HE      PHE   6 -15.039  14.258   8.437
   38    HZ   PHE   6           HZ       PHE   6 -12.799  15.051   7.790
   39    H    THR   7           H        THR   7 -12.699  10.502   9.753
   40    HA   THR   7           HA       THR   7 -10.045  10.410   8.855
   41    HB   THR   7           HB       THR   7 -10.884  10.905  11.711
   42    HG1  THR   7           1HG      THR   7 -10.976  12.687   9.505
   43   1HG2  THR   7          1HG2      THR   7  -8.722  12.247  10.116
   44   2HG2  THR   7          2HG2      THR   7  -8.442  10.877  11.189
   45   3HG2  THR   7          3HG2      THR   7  -9.048  12.399  11.842
   46    H    SER   8           H        SER   8 -11.799   8.343  11.095
   47    HA   SER   8           HA       SER   8  -9.677   7.020  12.317
   48   1HB   SER   8          2HB       SER   8 -12.287   6.852  12.670
   49   2HB   SER   8          1HB       SER   8 -12.132   5.484  11.569
   50    HG   SER   8           HG       SER   8 -11.238   5.783  14.177
   51    H    ASP   9           H        ASP   9 -11.396   6.197   9.327
   52    HA   ASP   9           HA       ASP   9  -9.722   3.947   8.745
   53   1HB   ASP   9          2HB       ASP   9 -12.124   4.282   7.961
   54   2HB   ASP   9          1HB       ASP   9 -11.479   5.416   6.778
   55    H    LEU  10           H        LEU  10  -9.814   7.327   7.764
   56    HA   LEU  10           HA       LEU  10  -7.979   7.229   5.652
   57   1HB   LEU  10          2HB       LEU  10  -9.467   9.180   6.855
   58   2HB   LEU  10          1HB       LEU  10  -7.845   9.628   7.348
   59    HG   LEU  10           HG       LEU  10  -8.442   9.085   4.460
   60   1HD1  LEU  10          1HD1      LEU  10  -8.885  11.499   4.184
   61   2HD1  LEU  10          2HD1      LEU  10  -8.934  11.665   5.940
   62   3HD1  LEU  10          3HD1      LEU  10 -10.133  10.671   5.115
   63   1HD2  LEU  10          1HD2      LEU  10  -6.609  10.706   4.155
   64   2HD2  LEU  10          2HD2      LEU  10  -6.116   9.297   5.092
   65   3HD2  LEU  10          3HD2      LEU  10  -6.447  10.824   5.907
   66    H    SER  11           H        SER  11  -7.475   7.524   9.143
   67    HA   SER  11           HA       SER  11  -4.742   8.117   9.135
   68   1HB   SER  11          2HB       SER  11  -6.703   7.538  11.078
   69   2HB   SER  11          1HB       SER  11  -5.392   6.388  11.347
   70    HG   SER  11           HG       SER  11  -5.390   9.178  11.534
   71    H    LYS  12           H        LYS  12  -6.394   4.982   9.239
   72    HA   LYS  12           HA       LYS  12  -3.998   3.440   9.264
   73   1HB   LYS  12          2HB       LYS  12  -6.451   2.795   9.928
   74   2HB   LYS  12          1HB       LYS  12  -6.598   2.365   8.229
   75   1HG   LYS  12          2HG       LYS  12  -5.119   0.615   8.403
   76   2HG   LYS  12          1HG       LYS  12  -4.305   1.302   9.809
   77   1HD   LYS  12          2HD       LYS  12  -6.626   0.934  10.959
   78   2HD   LYS  12          1HD       LYS  12  -6.867  -0.225   9.651
   79   1HE   LYS  12          2HE       LYS  12  -4.391  -0.266  11.346
   80   2HE   LYS  12          1HE       LYS  12  -5.871  -1.073  11.864
   81   1HZ   LYS  12          1HZ       LYS  12  -4.329  -2.555  10.685
   82   2HZ   LYS  12          2HZ       LYS  12  -4.471  -1.600   9.296
   83   3HZ   LYS  12          3HZ       LYS  12  -5.820  -2.428   9.896
   84    H    GLN  13           H        GLN  13  -6.218   4.495   6.711
   85    HA   GLN  13           HA       GLN  13  -5.163   3.038   4.574
   86   1HB   GLN  13          2HB       GLN  13  -7.273   4.530   4.691
   87   2HB   GLN  13          1HB       GLN  13  -6.192   5.848   4.265
   88   1HG   GLN  13          2HG       GLN  13  -5.510   4.489   2.259
   89   2HG   GLN  13          1HG       GLN  13  -6.838   3.399   2.652
   90   1HE2  GLN  13          1HE2      GLN  13  -7.718   3.930   0.580
   91   2HE2  GLN  13          2HE2      GLN  13  -8.597   5.401   0.359
   92    H    MET  14           H        MET  14  -4.220   6.207   5.865
   93    HA   MET  14           HA       MET  14  -2.318   6.888   3.923
   94   1HB   MET  14          2HB       MET  14  -2.702   7.647   6.802
   95   2HB   MET  14          1HB       MET  14  -1.283   8.202   5.923
   96   1HG   MET  14          2HG       MET  14  -3.369   8.795   4.220
   97   2HG   MET  14          1HG       MET  14  -4.027   9.134   5.820
   98   1HE   MET  14          1HE       MET  14  -1.117  11.619   3.441
   99   2HE   MET  14          2HE       MET  14  -2.464  10.613   2.912
  100   3HE   MET  14          3HE       MET  14  -0.947   9.864   3.410
  101    H    GLU  15           H        GLU  15  -2.000   5.039   6.933
  102    HA   GLU  15           HA       GLU  15   0.810   4.695   6.794
  103   1HB   GLU  15          2HB       GLU  15  -1.271   2.994   8.184
  104   2HB   GLU  15          1HB       GLU  15   0.464   2.896   8.454
  105   1HG   GLU  15          2HG       GLU  15  -1.199   5.353   8.960
  106   2HG   GLU  15          1HG       GLU  15  -0.766   4.167  10.189
  107    H    GLU  16           H        GLU  16  -1.924   2.786   5.609
  108    HA   GLU  16           HA       GLU  16  -0.518   0.500   4.797
  109   1HB   GLU  16          2HB       GLU  16  -3.155   1.696   4.236
  110   2HB   GLU  16          1HB       GLU  16  -2.540   0.640   2.971
  111   1HG   GLU  16          2HG       GLU  16  -3.605  -0.917   4.206
  112   2HG   GLU  16          1HG       GLU  16  -2.069  -0.931   5.067
  113    H    GLU  17           H        GLU  17  -1.243   3.513   3.061
  114    HA   GLU  17           HA       GLU  17  -0.187   2.761   0.566
  115   1HB   GLU  17          2HB       GLU  17  -1.414   5.021   1.622
  116   2HB   GLU  17          1HB       GLU  17   0.192   5.583   1.181
  117   1HG   GLU  17          2HG       GLU  17  -1.021   5.977  -0.735
  118   2HG   GLU  17          1HG       GLU  17  -0.276   4.417  -1.075
  119    H    ALA  18           H        ALA  18   1.321   4.204   3.411
  120    HA   ALA  18           HA       ALA  18   3.831   4.789   2.289
  121   1HB   ALA  18          1HB       ALA  18   2.991   5.614   4.490
  122   2HB   ALA  18          2HB       ALA  18   4.638   4.984   4.533
  123   3HB   ALA  18          3HB       ALA  18   3.306   4.010   5.154
  124    H    VAL  19           H        VAL  19   2.525   1.824   3.702
  125    HA   VAL  19           HA       VAL  19   4.929   0.358   3.847
  126    HB   VAL  19           HB       VAL  19   2.111  -0.674   3.440
  127   1HG1  VAL  19          1HG1      VAL  19   3.426  -2.627   4.788
  128   2HG1  VAL  19          2HG1      VAL  19   4.704  -2.026   3.730
  129   3HG1  VAL  19          3HG1      VAL  19   3.189  -2.606   3.040
  130   1HG2  VAL  19          1HG2      VAL  19   1.859  -0.760   5.744
  131   2HG2  VAL  19          2HG2      VAL  19   2.715   0.764   5.511
  132   3HG2  VAL  19          3HG2      VAL  19   3.595  -0.670   6.041
  133    H    ARG  20           H        ARG  20   2.460   0.596   1.287
  134    HA   ARG  20           HA       ARG  20   3.586  -1.238  -0.512
  135   1HB   ARG  20          2HB       ARG  20   1.286  -0.105  -0.601
  136   2HB   ARG  20          1HB       ARG  20   2.110   1.253  -1.355
  137   1HG   ARG  20          2HG       ARG  20   2.417   0.158  -3.313
  138   2HG   ARG  20          1HG       ARG  20   2.585  -1.417  -2.537
  139   1HD   ARG  20          2HD       ARG  20   0.489  -1.877  -3.106
  140   2HD   ARG  20          1HD       ARG  20  -0.054  -0.571  -2.054
  141    HE   ARG  20           HE       ARG  20   0.158  -0.521  -4.938
  142   1HH1  ARG  20          1HH1      ARG  20  -0.166   1.393  -2.019
  143   2HH1  ARG  20          2HH1      ARG  20  -0.821   2.763  -2.848
  144   1HH2  ARG  20          1HH2      ARG  20  -0.701   1.290  -6.017
  145   2HH2  ARG  20          2HH2      ARG  20  -1.125   2.706  -5.113
  146    H    LEU  21           H        LEU  21   4.117   2.252  -0.117
  147    HA   LEU  21           HA       LEU  21   5.857   2.576  -2.321
  148   1HB   LEU  21          2HB       LEU  21   4.730   4.231  -0.387
  149   2HB   LEU  21          1HB       LEU  21   6.453   4.335  -0.081
  150    HG   LEU  21           HG       LEU  21   6.698   4.845  -2.580
  151   1HD1  LEU  21          1HD1      LEU  21   4.733   5.837  -3.645
  152   2HD1  LEU  21          2HD1      LEU  21   3.747   5.374  -2.257
  153   3HD1  LEU  21          3HD1      LEU  21   4.477   4.132  -3.275
  154   1HD2  LEU  21          1HD2      LEU  21   6.060   6.489  -0.333
  155   2HD2  LEU  21          2HD2      LEU  21   5.363   7.199  -1.789
  156   3HD2  LEU  21          3HD2      LEU  21   7.091   6.849  -1.717
  157    H    PHE  22           H        PHE  22   6.453   1.905   1.112
  158    HA   PHE  22           HA       PHE  22   9.269   1.915   1.006
  159   1HB   PHE  22          2HB       PHE  22   8.171   2.042   3.136
  160   2HB   PHE  22          1HB       PHE  22   7.315   0.532   2.852
  161    HD1  PHE  22           1HD      PHE  22   8.100  -1.358   3.863
  162    HD2  PHE  22           2HD      PHE  22  10.811   1.823   3.064
  163    HE1  PHE  22           1HE      PHE  22   9.887  -2.592   5.024
  164    HE2  PHE  22           2HE      PHE  22  12.603   0.595   4.222
  165    HZ   PHE  22           HZ       PHE  22  12.141  -1.615   5.205
  166    H    ILE  23           H        ILE  23   6.873  -0.644   0.510
  167    HA   ILE  23           HA       ILE  23   8.637  -2.818   0.263
  168    HB   ILE  23           HB       ILE  23   5.880  -2.332  -0.861
  169   1HG1  ILE  23          2HG1      ILE  23   6.674  -4.391   1.179
  170   2HG1  ILE  23          1HG1      ILE  23   6.426  -2.714   1.658
  171   1HG2  ILE  23          1HG2      ILE  23   5.811  -4.745  -1.407
  172   2HG2  ILE  23          2HG2      ILE  23   7.540  -4.839  -1.075
  173   3HG2  ILE  23          3HG2      ILE  23   6.951  -3.839  -2.402
  174   1HD1  ILE  23          1HD1      ILE  23   4.339  -4.233   0.140
  175   2HD1  ILE  23          2HD1      ILE  23   4.160  -2.776   1.120
  176   3HD1  ILE  23          3HD1      ILE  23   4.471  -4.329   1.896
  177    H    GLU  24           H        GLU  24   7.234  -0.655  -2.206
  178    HA   GLU  24           HA       GLU  24   8.485  -1.827  -4.440
  179   1HB   GLU  24          2HB       GLU  24   6.574  -0.137  -4.416
  180   2HB   GLU  24          1HB       GLU  24   7.801   1.100  -4.184
  181   1HG   GLU  24          2HG       GLU  24   8.811   0.586  -6.292
  182   2HG   GLU  24          1HG       GLU  24   7.759  -0.813  -6.505
  183    H    TRP  25           H        TRP  25   9.498   0.713  -2.210
  184    HA   TRP  25           HA       TRP  25  11.816   1.557  -3.548
  185   1HB   TRP  25          2HB       TRP  25  10.855   2.838  -1.717
  186   2HB   TRP  25          1HB       TRP  25  11.167   1.523  -0.591
  187    HD1  TRP  25           HD       TRP  25  13.210   3.933  -2.848
  188    HE1  TRP  25           1HE      TRP  25  15.419   4.458  -1.640
  189    HE3  TRP  25           3HE      TRP  25  12.637   0.906   1.227
  190    HZ2  TRP  25           2HZ      TRP  25  16.749   3.682   0.728
  191    HZ3  TRP  25           3HZ      TRP  25  14.425   0.850   2.917
  192    HH2  TRP  25           HH       TRP  25  16.439   2.211   2.671
  193    H    LEU  26           H        LEU  26  11.283  -1.019  -1.167
  194    HA   LEU  26           HA       LEU  26  14.014  -1.783  -0.944
  195   1HB   LEU  26          2HB       LEU  26  11.433  -3.195  -0.293
  196   2HB   LEU  26          1HB       LEU  26  13.000  -3.936  -0.028
  197    HG   LEU  26           HG       LEU  26  11.991  -1.408   1.280
  198   1HD1  LEU  26          1HD1      LEU  26  10.877  -3.071   2.400
  199   2HD1  LEU  26          2HD1      LEU  26  12.379  -3.003   3.322
  200   3HD1  LEU  26          3HD1      LEU  26  12.144  -4.264   2.115
  201   1HD2  LEU  26          1HD2      LEU  26  14.370  -1.244   0.966
  202   2HD2  LEU  26          2HD2      LEU  26  14.606  -2.885   1.569
  203   3HD2  LEU  26          3HD2      LEU  26  14.046  -1.617   2.660
  204    H    LYS  27           H        LYS  27  11.325  -2.848  -2.976
  205    HA   LYS  27           HA       LYS  27  12.566  -5.093  -4.135
  206   1HB   LYS  27          2HB       LYS  27  10.426  -3.259  -5.233
  207   2HB   LYS  27          1HB       LYS  27  10.887  -4.792  -5.961
  208   1HG   LYS  27          2HG       LYS  27  10.216  -4.993  -3.125
  209   2HG   LYS  27          1HG       LYS  27   8.885  -4.439  -4.142
  210   1HD   LYS  27          2HD       LYS  27  10.382  -6.692  -5.262
  211   2HD   LYS  27          1HD       LYS  27   9.582  -7.052  -3.732
  212   1HE   LYS  27          2HE       LYS  27   7.824  -7.498  -5.075
  213   2HE   LYS  27          1HE       LYS  27   7.596  -5.752  -4.997
  214   1HZ   LYS  27          1HZ       LYS  27   9.127  -7.151  -7.125
  215   2HZ   LYS  27          2HZ       LYS  27   8.740  -5.504  -7.073
  216   3HZ   LYS  27          3HZ       LYS  27   7.515  -6.653  -7.275
  217    H    ASN  28           H        ASN  28  12.728  -1.665  -4.880
  218    HA   ASN  28           HA       ASN  28  14.064  -1.977  -7.395
  219   1HB   ASN  28          2HB       ASN  28  12.697   0.057  -6.269
  220   2HB   ASN  28          1HB       ASN  28  14.337   0.559  -5.879
  221   1HD2  ASN  28          1HD2      ASN  28  11.940   0.369  -8.273
  222   2HD2  ASN  28          2HD2      ASN  28  12.875   0.980  -9.592
  223    H    GLY  29           H        GLY  29  15.103  -2.426  -4.232
  224   1HA   GLY  29          2HA       GLY  29  17.442  -3.274  -4.119
  225   2HA   GLY  29          1HA       GLY  29  17.895  -1.800  -4.956
  226    H    GLY  30           H        GLY  30  15.417  -1.130  -2.759
  227   1HA   GLY  30          2HA       GLY  30  15.357  -0.068  -0.736
  228   2HA   GLY  30          1HA       GLY  30  16.774  -1.014  -0.308
  229    HA   PRO  31           HA       PRO  31  18.549   3.119   0.036
  230   1HB   PRO  31          2HB       PRO  31  21.004   1.556   0.569
  231   2HB   PRO  31          1HB       PRO  31  20.236   2.813   1.543
  232   1HG   PRO  31          2HG       PRO  31  20.130   0.238   2.262
  233   2HG   PRO  31          1HG       PRO  31  18.764   1.336   2.536
  234   1HD   PRO  31          2HD       PRO  31  19.128  -0.750   0.426
  235   2HD   PRO  31          1HD       PRO  31  17.668  -0.301   1.329
  236    H    SER  32           H        SER  32  19.906   0.412  -1.794
  237    HA   SER  32           HA       SER  32  21.464   2.234  -3.455
  238   1HB   SER  32          2HB       SER  32  22.133  -0.067  -4.512
  239   2HB   SER  32          1HB       SER  32  22.787   0.392  -2.943
  240    HG   SER  32           HG       SER  32  21.685  -1.164  -2.030
  241    H    SER  33           H        SER  33  18.877   2.780  -3.845
  242    HA   SER  33           HA       SER  33  18.149   1.419  -6.357
  243   1HB   SER  33          2HB       SER  33  16.375   2.911  -4.408
  244   2HB   SER  33          1HB       SER  33  15.838   2.220  -5.938
  245    HG   SER  33           HG       SER  33  15.513   0.895  -4.010
  246    H    GLY  34           H        GLY  34  18.463   4.557  -4.754
  247   1HA   GLY  34          2HA       GLY  34  19.576   6.132  -6.516
  248   2HA   GLY  34          1HA       GLY  34  18.019   5.939  -7.305
  249    H    ALA  35           H        ALA  35  16.397   5.916  -4.998
  250    HA   ALA  35           HA       ALA  35  16.709   8.693  -4.056
  251   1HB   ALA  35          1HB       ALA  35  14.691   7.827  -5.591
  252   2HB   ALA  35          2HB       ALA  35  14.503   9.099  -4.385
  253   3HB   ALA  35          3HB       ALA  35  14.028   7.444  -4.001
  254    HA   PRO  36           HA       PRO  36  16.667   7.316   0.137
  255   1HB   PRO  36          2HB       PRO  36  15.073   9.135   1.385
  256   2HB   PRO  36          1HB       PRO  36  16.705   9.510   0.818
  257   1HG   PRO  36          2HG       PRO  36  14.070  10.093  -0.478
  258   2HG   PRO  36          1HG       PRO  36  15.494  11.138  -0.316
  259   1HD   PRO  36          2HD       PRO  36  14.923   9.818  -2.602
  260   2HD   PRO  36          1HD       PRO  36  16.591  10.129  -2.079
  261    HA   PRO  37           HA       PRO  37  13.223   4.719   1.075
  262   1HB   PRO  37          2HB       PRO  37  13.003   4.963   3.801
  263   2HB   PRO  37          1HB       PRO  37  14.225   3.979   2.990
  264   1HG   PRO  37          2HG       PRO  37  14.460   6.737   4.125
  265   2HG   PRO  37          1HG       PRO  37  15.607   5.386   4.214
  266   1HD   PRO  37          2HD       PRO  37  15.945   7.422   2.490
  267   2HD   PRO  37          1HD       PRO  37  16.404   5.757   2.072
  268    HA   PRO  38           HA       PRO  38   9.743   7.522   1.090
  269   1HB   PRO  38          2HB       PRO  38   7.799   5.648   0.822
  270   2HB   PRO  38          1HB       PRO  38   8.829   6.160  -0.519
  271   1HG   PRO  38          2HG       PRO  38   9.041   3.736   1.220
  272   2HG   PRO  38          1HG       PRO  38   9.242   3.875  -0.537
  273   1HD   PRO  38          2HD       PRO  38  11.341   3.749   1.172
  274   2HD   PRO  38          1HD       PRO  38  11.400   4.652  -0.355
  275    H    SER  39           H        SER  39   8.607   8.406   2.707
  276    HA   SER  39           HA       SER  39   7.997   6.745   5.067
  277   1HB   SER  39          2HB       SER  39   9.807   8.403   5.486
  278   2HB   SER  39          1HB       SER  39   8.682   9.696   5.068
  279    HG   SER  39           HG       SER  39   7.987   9.595   7.036
  Start of MODEL   19
    1   1H    HIS   1          1HT       HIS   1 -18.598   8.827  20.178
    2   2H    HIS   1          2HT       HIS   1 -17.120   9.554  20.661
    3   3H    HIS   1          3HT       HIS   1 -18.423   9.436  21.770
    4    HA   HIS   1           HA       HIS   1 -16.957   7.792  22.383
    5   1HB   HIS   1          2HB       HIS   1 -19.330   6.899  20.779
    6   2HB   HIS   1          1HB       HIS   1 -18.265   5.689  21.490
    7    HD1  HIS   1           1HD      HIS   1 -20.349   8.671  22.593
    8    HD2  HIS   1           2HD      HIS   1 -18.836   5.094  24.073
    9    HE1  HIS   1           1HE      HIS   1 -21.320   8.435  24.898
   10    HE2  HIS   1           2HE      HIS   1 -20.473   6.213  25.734
   11    H    GLY   2           H        GLY   2 -17.766   7.147  18.954
   12   1HA   GLY   2          2HA       GLY   2 -14.941   6.624  18.407
   13   2HA   GLY   2          1HA       GLY   2 -16.063   5.297  18.145
   14    H    GLU   3           H        GLU   3 -15.850   8.778  17.370
   15    HA   GLU   3           HA       GLU   3 -17.130   8.265  14.796
   16   1HB   GLU   3          2HB       GLU   3 -16.410  10.817  16.239
   17   2HB   GLU   3          1HB       GLU   3 -17.080  10.784  14.614
   18   1HG   GLU   3          2HG       GLU   3 -19.074   9.638  15.483
   19   2HG   GLU   3          1HG       GLU   3 -18.404   9.744  17.111
   20    H    GLY   4           H        GLY   4 -16.143   8.450  12.846
   21   1HA   GLY   4          2HA       GLY   4 -13.231   8.596  12.858
   22   2HA   GLY   4          1HA       GLY   4 -14.245   8.096  11.513
   23    H    THR   5           H        THR   5 -15.880  10.126  11.019
   24    HA   THR   5           HA       THR   5 -16.067  12.137   9.986
   25    HB   THR   5           HB       THR   5 -13.761  13.154  11.636
   26    HG1  THR   5           1HG      THR   5 -16.418  12.675  12.509
   27   1HG2  THR   5          1HG2      THR   5 -16.180  14.364  10.397
   28   2HG2  THR   5          2HG2      THR   5 -14.513  14.940  10.416
   29   3HG2  THR   5          3HG2      THR   5 -15.508  15.072  11.865
   30    H    PHE   6           H        PHE   6 -14.302  10.116   8.869
   31    HA   PHE   6           HA       PHE   6 -12.859   9.836   7.138
   32   1HB   PHE   6          2HB       PHE   6 -14.302  12.131   6.573
   33   2HB   PHE   6          1HB       PHE   6 -12.630  12.619   6.320
   34    HD1  PHE   6           1HD      PHE   6 -15.139  10.059   5.370
   35    HD2  PHE   6           2HD      PHE   6 -11.498  12.020   4.365
   36    HE1  PHE   6           1HE      PHE   6 -15.165   8.969   3.164
   37    HE2  PHE   6           2HE      PHE   6 -11.518  10.934   2.158
   38    HZ   PHE   6           HZ       PHE   6 -13.354   9.407   1.554
   39    H    THR   7           H        THR   7 -11.913  11.013   9.866
   40    HA   THR   7           HA       THR   7  -9.304  12.029   8.997
   41    HB   THR   7           HB       THR   7 -10.397  12.040  11.808
   42    HG1  THR   7           1HG      THR   7 -11.786  13.382  10.919
   43   1HG2  THR   7          1HG2      THR   7  -8.860  13.891  12.159
   44   2HG2  THR   7          2HG2      THR   7  -8.276  13.728  10.504
   45   3HG2  THR   7          3HG2      THR   7  -8.003  12.430  11.668
   46    H    SER   8           H        SER   8 -10.708   9.767  11.351
   47    HA   SER   8           HA       SER   8  -8.260   8.541  12.048
   48   1HB   SER   8          2HB       SER   8  -9.565   6.914  13.221
   49   2HB   SER   8          1HB       SER   8 -10.402   8.456  13.389
   50    HG   SER   8           HG       SER   8 -11.764   7.768  11.641
   51    H    ASP   9           H        ASP   9 -10.718   7.752   9.637
   52    HA   ASP   9           HA       ASP   9  -9.574   5.277   8.844
   53   1HB   ASP   9          2HB       ASP   9 -11.969   6.266   8.416
   54   2HB   ASP   9          1HB       ASP   9 -11.221   6.933   6.968
   55    H    LEU  10           H        LEU  10  -9.284   8.587   7.641
   56    HA   LEU  10           HA       LEU  10  -7.753   8.029   5.351
   57   1HB   LEU  10          2HB       LEU  10  -8.811  10.291   6.541
   58   2HB   LEU  10          1HB       LEU  10  -7.083  10.554   6.657
   59    HG   LEU  10           HG       LEU  10  -7.957  11.592   4.650
   60   1HD1  LEU  10          1HD1      LEU  10  -6.463   9.153   3.741
   61   2HD1  LEU  10          2HD1      LEU  10  -5.694  10.420   4.697
   62   3HD1  LEU  10          3HD1      LEU  10  -6.377  10.799   3.117
   63   1HD2  LEU  10          1HD2      LEU  10  -9.076  10.413   2.923
   64   2HD2  LEU  10          2HD2      LEU  10  -9.895  10.001   4.429
   65   3HD2  LEU  10          3HD2      LEU  10  -8.773   8.856   3.694
   66    H    SER  11           H        SER  11  -6.782   8.775   8.688
   67    HA   SER  11           HA       SER  11  -4.003   8.832   8.227
   68   1HB   SER  11          2HB       SER  11  -5.680   9.216  10.425
   69   2HB   SER  11          1HB       SER  11  -4.691   7.825  10.868
   70    HG   SER  11           HG       SER  11  -2.967   9.059  10.933
   71    H    LYS  12           H        LYS  12  -6.201   6.213   9.125
   72    HA   LYS  12           HA       LYS  12  -4.227   4.217   9.485
   73   1HB   LYS  12          2HB       LYS  12  -6.846   4.320  10.030
   74   2HB   LYS  12          1HB       LYS  12  -6.928   3.444   8.508
   75   1HG   LYS  12          2HG       LYS  12  -4.928   2.425  10.394
   76   2HG   LYS  12          1HG       LYS  12  -6.601   2.299  10.943
   77   1HD   LYS  12          2HD       LYS  12  -7.053   0.656   9.497
   78   2HD   LYS  12          1HD       LYS  12  -6.282   1.512   8.162
   79   1HE   LYS  12          2HE       LYS  12  -4.263   0.501   8.495
   80   2HE   LYS  12          1HE       LYS  12  -4.522   0.313  10.229
   81   1HZ   LYS  12          1HZ       LYS  12  -5.964  -1.523   9.840
   82   2HZ   LYS  12          2HZ       LYS  12  -4.552  -1.798   8.948
   83   3HZ   LYS  12          3HZ       LYS  12  -5.956  -1.269   8.166
   84    H    GLN  13           H        GLN  13  -6.190   5.180   6.688
   85    HA   GLN  13           HA       GLN  13  -5.262   3.145   4.947
   86   1HB   GLN  13          2HB       GLN  13  -6.527   5.835   4.424
   87   2HB   GLN  13          1HB       GLN  13  -6.132   4.699   3.143
   88   1HG   GLN  13          2HG       GLN  13  -7.574   3.210   5.004
   89   2HG   GLN  13          1HG       GLN  13  -8.403   4.761   4.912
   90   1HE2  GLN  13          1HE2      GLN  13  -9.071   5.508   2.796
   91   2HE2  GLN  13          2HE2      GLN  13  -9.471   4.352   1.576
   92    H    MET  14           H        MET  14  -4.156   6.432   5.635
   93    HA   MET  14           HA       MET  14  -2.285   6.691   3.561
   94   1HB   MET  14          2HB       MET  14  -2.682   7.973   6.222
   95   2HB   MET  14          1HB       MET  14  -1.129   8.198   5.432
   96   1HG   MET  14          2HG       MET  14  -2.737   8.790   3.383
   97   2HG   MET  14          1HG       MET  14  -3.795   9.244   4.718
   98   1HE   MET  14          1HE       MET  14  -4.048  11.367   3.932
   99   2HE   MET  14          2HE       MET  14  -2.799  11.992   2.856
  100   3HE   MET  14          3HE       MET  14  -3.039  12.721   4.443
  101    H    GLU  15           H        GLU  15  -2.008   5.275   6.795
  102    HA   GLU  15           HA       GLU  15   0.765   4.845   6.811
  103   1HB   GLU  15          2HB       GLU  15  -1.518   3.457   8.200
  104   2HB   GLU  15          1HB       GLU  15   0.149   2.952   8.437
  105   1HG   GLU  15          2HG       GLU  15   0.735   4.972   9.459
  106   2HG   GLU  15          1HG       GLU  15  -0.715   5.788   8.875
  107    H    GLU  16           H        GLU  16  -1.901   2.851   5.595
  108    HA   GLU  16           HA       GLU  16  -0.384   0.567   4.951
  109   1HB   GLU  16          2HB       GLU  16  -2.881   0.661   5.079
  110   2HB   GLU  16          1HB       GLU  16  -2.884   1.547   3.560
  111   1HG   GLU  16          2HG       GLU  16  -3.383  -0.848   3.295
  112   2HG   GLU  16          1HG       GLU  16  -1.957  -0.333   2.394
  113    H    GLU  17           H        GLU  17  -1.160   3.493   3.111
  114    HA   GLU  17           HA       GLU  17  -0.117   2.694   0.630
  115   1HB   GLU  17          2HB       GLU  17  -0.443   5.412   1.895
  116   2HB   GLU  17          1HB       GLU  17   0.169   5.203   0.261
  117   1HG   GLU  17          2HG       GLU  17  -1.972   3.878  -0.176
  118   2HG   GLU  17          1HG       GLU  17  -2.555   4.577   1.334
  119    H    ALA  18           H        ALA  18   1.413   4.165   3.447
  120    HA   ALA  18           HA       ALA  18   3.923   4.726   2.330
  121   1HB   ALA  18          1HB       ALA  18   3.137   5.562   4.523
  122   2HB   ALA  18          2HB       ALA  18   4.746   4.841   4.593
  123   3HB   ALA  18          3HB       ALA  18   3.350   3.940   5.185
  124    H    VAL  19           H        VAL  19   2.612   1.765   3.751
  125    HA   VAL  19           HA       VAL  19   5.003   0.271   3.847
  126    HB   VAL  19           HB       VAL  19   2.176  -0.746   3.453
  127   1HG1  VAL  19          1HG1      VAL  19   3.425  -2.603   2.957
  128   2HG1  VAL  19          2HG1      VAL  19   3.310  -2.757   4.710
  129   3HG1  VAL  19          3HG1      VAL  19   4.776  -2.105   3.977
  130   1HG2  VAL  19          1HG2      VAL  19   2.627   0.684   5.498
  131   2HG2  VAL  19          2HG2      VAL  19   3.709  -0.598   6.038
  132   3HG2  VAL  19          3HG2      VAL  19   1.995  -0.934   5.801
  133    H    ARG  20           H        ARG  20   2.509   0.577   1.326
  134    HA   ARG  20           HA       ARG  20   3.591  -1.264  -0.500
  135   1HB   ARG  20          2HB       ARG  20   1.295  -0.199  -0.577
  136   2HB   ARG  20          1HB       ARG  20   2.066   1.239  -1.226
  137   1HG   ARG  20          2HG       ARG  20   1.708   0.356  -3.232
  138   2HG   ARG  20          1HG       ARG  20   3.015  -0.767  -2.856
  139   1HD   ARG  20          2HD       ARG  20   1.180  -2.084  -3.559
  140   2HD   ARG  20          1HD       ARG  20   1.279  -2.261  -1.809
  141    HE   ARG  20           HE       ARG  20  -0.537  -0.516  -1.748
  142   1HH1  ARG  20          1HH1      ARG  20  -0.192  -2.687  -4.485
  143   2HH1  ARG  20          2HH1      ARG  20  -1.860  -2.575  -4.929
  144   1HH2  ARG  20          1HH2      ARG  20  -2.723  -0.382  -2.347
  145   2HH2  ARG  20          2HH2      ARG  20  -3.294  -1.270  -3.720
  146    H    LEU  21           H        LEU  21   4.135   2.223  -0.100
  147    HA   LEU  21           HA       LEU  21   5.839   2.551  -2.332
  148   1HB   LEU  21          2HB       LEU  21   5.756   4.129   0.246
  149   2HB   LEU  21          1HB       LEU  21   6.554   4.635  -1.230
  150    HG   LEU  21           HG       LEU  21   3.640   4.028  -1.357
  151   1HD1  LEU  21          1HD1      LEU  21   2.923   5.829  -0.212
  152   2HD1  LEU  21          2HD1      LEU  21   4.333   6.798  -0.638
  153   3HD1  LEU  21          3HD1      LEU  21   4.439   5.614   0.666
  154   1HD2  LEU  21          1HD2      LEU  21   4.891   6.411  -2.587
  155   2HD2  LEU  21          2HD2      LEU  21   3.690   5.294  -3.236
  156   3HD2  LEU  21          3HD2      LEU  21   5.393   4.839  -3.208
  157    H    PHE  22           H        PHE  22   6.473   1.861   1.089
  158    HA   PHE  22           HA       PHE  22   9.287   1.883   0.940
  159   1HB   PHE  22          2HB       PHE  22   8.215   2.013   3.088
  160   2HB   PHE  22          1HB       PHE  22   7.382   0.485   2.828
  161    HD1  PHE  22           1HD      PHE  22   8.219  -1.373   3.851
  162    HD2  PHE  22           2HD      PHE  22  10.863   1.833   2.934
  163    HE1  PHE  22           1HE      PHE  22  10.060  -2.572   4.970
  164    HE2  PHE  22           2HE      PHE  22  12.706   0.643   4.045
  165    HZ   PHE  22           HZ       PHE  22  12.308  -1.563   5.062
  166    H    ILE  23           H        ILE  23   6.893  -0.696   0.529
  167    HA   ILE  23           HA       ILE  23   8.661  -2.860   0.245
  168    HB   ILE  23           HB       ILE  23   5.871  -2.396  -0.810
  169   1HG1  ILE  23          2HG1      ILE  23   6.760  -4.418   1.233
  170   2HG1  ILE  23          1HG1      ILE  23   6.451  -2.745   1.690
  171   1HG2  ILE  23          1HG2      ILE  23   5.760  -4.732  -1.450
  172   2HG2  ILE  23          2HG2      ILE  23   7.442  -4.966  -0.975
  173   3HG2  ILE  23          3HG2      ILE  23   7.049  -3.921  -2.341
  174   1HD1  ILE  23          1HD1      ILE  23   4.165  -2.931   0.944
  175   2HD1  ILE  23          2HD1      ILE  23   4.532  -4.217   2.093
  176   3HD1  ILE  23          3HD1      ILE  23   4.457  -4.571   0.366
  177    H    GLU  24           H        GLU  24   7.228  -0.674  -2.180
  178    HA   GLU  24           HA       GLU  24   8.426  -1.871  -4.446
  179   1HB   GLU  24          2HB       GLU  24   6.537  -0.007  -4.169
  180   2HB   GLU  24          1HB       GLU  24   7.906   1.066  -4.416
  181   1HG   GLU  24          2HG       GLU  24   8.406  -0.300  -6.497
  182   2HG   GLU  24          1HG       GLU  24   6.802  -1.003  -6.283
  183    H    TRP  25           H        TRP  25   9.461   0.659  -2.223
  184    HA   TRP  25           HA       TRP  25  11.745   1.536  -3.604
  185   1HB   TRP  25          2HB       TRP  25  10.807   2.821  -1.774
  186   2HB   TRP  25          1HB       TRP  25  11.113   1.507  -0.644
  187    HD1  TRP  25           HD       TRP  25  13.135   3.960  -2.868
  188    HE1  TRP  25           1HE      TRP  25  15.354   4.464  -1.671
  189    HE3  TRP  25           3HE      TRP  25  12.626   0.825   1.137
  190    HZ2  TRP  25           2HZ      TRP  25  16.712   3.643   0.665
  191    HZ3  TRP  25           3HZ      TRP  25  14.432   0.744   2.808
  192    HH2  TRP  25           HH       TRP  25  16.432   2.126   2.574
  193    H    LEU  26           H        LEU  26  11.285  -1.040  -1.205
  194    HA   LEU  26           HA       LEU  26  14.042  -1.758  -1.052
  195   1HB   LEU  26          2HB       LEU  26  11.495  -3.143  -0.239
  196   2HB   LEU  26          1HB       LEU  26  13.061  -3.912  -0.061
  197    HG   LEU  26           HG       LEU  26  12.121  -1.390   1.304
  198   1HD1  LEU  26          1HD1      LEU  26  12.746  -2.917   3.312
  199   2HD1  LEU  26          2HD1      LEU  26  12.544  -4.223   2.146
  200   3HD1  LEU  26          3HD1      LEU  26  11.200  -3.136   2.494
  201   1HD2  LEU  26          1HD2      LEU  26  14.286  -1.393   2.441
  202   2HD2  LEU  26          2HD2      LEU  26  14.478  -1.182   0.699
  203   3HD2  LEU  26          3HD2      LEU  26  14.813  -2.747   1.441
  204    H    LYS  27           H        LYS  27  11.253  -3.016  -2.843
  205    HA   LYS  27           HA       LYS  27  12.490  -5.239  -4.015
  206   1HB   LYS  27          2HB       LYS  27  10.161  -3.516  -4.817
  207   2HB   LYS  27          1HB       LYS  27  10.709  -4.828  -5.853
  208   1HG   LYS  27          2HG       LYS  27  10.509  -5.954  -3.314
  209   2HG   LYS  27          1HG       LYS  27   9.090  -4.919  -3.473
  210   1HD   LYS  27          2HD       LYS  27   9.682  -6.524  -5.855
  211   2HD   LYS  27          1HD       LYS  27   9.291  -7.474  -4.421
  212   1HE   LYS  27          2HE       LYS  27   7.158  -7.133  -5.010
  213   2HE   LYS  27          1HE       LYS  27   7.386  -5.521  -4.334
  214   1HZ   LYS  27          1HZ       LYS  27   6.434  -5.383  -6.529
  215   2HZ   LYS  27          2HZ       LYS  27   7.705  -6.282  -7.187
  216   3HZ   LYS  27          3HZ       LYS  27   7.999  -4.741  -6.557
  217    H    ASN  28           H        ASN  28  12.483  -1.841  -4.928
  218    HA   ASN  28           HA       ASN  28  13.644  -2.187  -7.502
  219   1HB   ASN  28          2HB       ASN  28  12.442  -0.111  -6.251
  220   2HB   ASN  28          1HB       ASN  28  14.123   0.338  -6.030
  221   1HD2  ASN  28          1HD2      ASN  28  11.532  -0.029  -8.268
  222   2HD2  ASN  28          2HD2      ASN  28  12.337   0.646  -9.641
  223    H    GLY  29           H        GLY  29  14.915  -1.894  -4.252
  224   1HA   GLY  29          2HA       GLY  29  17.313  -3.069  -4.547
  225   2HA   GLY  29          1HA       GLY  29  17.637  -1.452  -5.150
  226    H    GLY  30           H        GLY  30  15.579  -0.410  -3.112
  227   1HA   GLY  30          2HA       GLY  30  15.487   0.093  -0.843
  228   2HA   GLY  30          1HA       GLY  30  16.891  -0.930  -0.580
  229    HA   PRO  31           HA       PRO  31  18.687   3.168   0.166
  230   1HB   PRO  31          2HB       PRO  31  21.064   1.486   0.724
  231   2HB   PRO  31          1HB       PRO  31  20.301   2.729   1.724
  232   1HG   PRO  31          2HG       PRO  31  20.051   0.141   2.323
  233   2HG   PRO  31          1HG       PRO  31  18.702   1.269   2.550
  234   1HD   PRO  31          2HD       PRO  31  19.155  -0.728   0.367
  235   2HD   PRO  31          1HD       PRO  31  17.651  -0.296   1.207
  236    H    SER  32           H        SER  32  20.034   0.548  -1.786
  237    HA   SER  32           HA       SER  32  21.690   2.465  -3.263
  238   1HB   SER  32          2HB       SER  32  22.509   0.157  -2.330
  239   2HB   SER  32          1HB       SER  32  21.731  -0.490  -3.774
  240    HG   SER  32           HG       SER  32  24.010   0.091  -3.988
  241    H    SER  33           H        SER  33  18.923   2.691  -3.692
  242    HA   SER  33           HA       SER  33  18.544   1.483  -6.347
  243   1HB   SER  33          2HB       SER  33  16.812   1.368  -4.302
  244   2HB   SER  33          1HB       SER  33  16.282   2.887  -5.022
  245    HG   SER  33           HG       SER  33  16.566   0.426  -6.409
  246    H    GLY  34           H        GLY  34  18.583   4.556  -4.607
  247   1HA   GLY  34          2HA       GLY  34  19.619   6.253  -6.305
  248   2HA   GLY  34          1HA       GLY  34  18.076   6.011  -7.104
  249    H    ALA  35           H        ALA  35  16.266   6.009  -5.160
  250    HA   ALA  35           HA       ALA  35  16.490   8.717  -4.045
  251   1HB   ALA  35          1HB       ALA  35  14.596   8.545  -5.437
  252   2HB   ALA  35          2HB       ALA  35  13.977   8.477  -3.786
  253   3HB   ALA  35          3HB       ALA  35  14.122   6.997  -4.734
  254    HA   PRO  36           HA       PRO  36  16.555   7.356   0.155
  255   1HB   PRO  36          2HB       PRO  36  14.878   9.127   1.379
  256   2HB   PRO  36          1HB       PRO  36  16.508   9.545   0.837
  257   1HG   PRO  36          2HG       PRO  36  13.876  10.058  -0.492
  258   2HG   PRO  36          1HG       PRO  36  15.278  11.133  -0.330
  259   1HD   PRO  36          2HD       PRO  36  14.748   9.784  -2.608
  260   2HD   PRO  36          1HD       PRO  36  16.405  10.133  -2.078
  261    HA   PRO  37           HA       PRO  37  13.193   4.642   1.078
  262   1HB   PRO  37          2HB       PRO  37  13.040   4.773   3.802
  263   2HB   PRO  37          1HB       PRO  37  14.297   3.887   2.934
  264   1HG   PRO  37          2HG       PRO  37  14.402   6.622   4.146
  265   2HG   PRO  37          1HG       PRO  37  15.614   5.326   4.202
  266   1HD   PRO  37          2HD       PRO  37  15.846   7.407   2.516
  267   2HD   PRO  37          1HD       PRO  37  16.371   5.773   2.059
  268    HA   PRO  38           HA       PRO  38   9.684   7.424   1.319
  269   1HB   PRO  38          2HB       PRO  38   7.782   5.606   0.710
  270   2HB   PRO  38          1HB       PRO  38   8.881   6.268  -0.505
  271   1HG   PRO  38          2HG       PRO  38   9.004   3.655   0.941
  272   2HG   PRO  38          1HG       PRO  38   9.295   3.998  -0.775
  273   1HD   PRO  38          2HD       PRO  38  11.296   3.667   1.041
  274   2HD   PRO  38          1HD       PRO  38  11.447   4.699  -0.394
  275    H    SER  39           H        SER  39   8.134   7.935   2.814
  276    HA   SER  39           HA       SER  39   7.261   5.993   4.782
  277   1HB   SER  39          2HB       SER  39   9.277   8.069   5.377
  278   2HB   SER  39          1HB       SER  39   7.941   7.979   6.522
  279    HG   SER  39           HG       SER  39   8.552   6.001   7.110
  Start of MODEL   20
    1   1H    HIS   1          1HT       HIS   1 -24.676  10.377   2.642
    2   2H    HIS   1          2HT       HIS   1 -24.450  10.536   4.335
    3   3H    HIS   1          3HT       HIS   1 -23.241   9.792   3.371
    4    HA   HIS   1           HA       HIS   1 -22.852  11.834   2.226
    5   1HB   HIS   1          2HB       HIS   1 -25.342  12.501   3.570
    6   2HB   HIS   1          1HB       HIS   1 -24.110  13.727   3.861
    7    HD1  HIS   1           1HD      HIS   1 -22.779  14.256   1.351
    8    HD2  HIS   1           2HD      HIS   1 -26.794  13.190   1.414
    9    HE1  HIS   1           1HE      HIS   1 -23.725  15.072  -0.832
   10    HE2  HIS   1           2HE      HIS   1 -26.138  14.349  -0.803
   11    H    GLY   2           H        GLY   2 -21.442  13.533   3.113
   12   1HA   GLY   2          2HA       GLY   2 -20.227  14.506   4.915
   13   2HA   GLY   2          1HA       GLY   2 -20.663  13.128   5.916
   14    H    GLU   3           H        GLU   3 -18.483  14.340   3.471
   15    HA   GLU   3           HA       GLU   3 -16.663  12.107   4.065
   16   1HB   GLU   3          2HB       GLU   3 -17.732  12.950   1.450
   17   2HB   GLU   3          1HB       GLU   3 -15.992  12.704   1.492
   18   1HG   GLU   3          2HG       GLU   3 -16.449  10.567   1.100
   19   2HG   GLU   3          1HG       GLU   3 -16.932  10.487   2.794
   20    H    GLY   4           H        GLY   4 -14.400  12.587   3.781
   21   1HA   GLY   4          2HA       GLY   4 -12.791  14.384   3.085
   22   2HA   GLY   4          1HA       GLY   4 -13.841  15.487   3.961
   23    H    THR   5           H        THR   5 -14.353  13.982   6.255
   24    HA   THR   5           HA       THR   5 -11.667  13.748   7.440
   25    HB   THR   5           HB       THR   5 -12.854  14.454   9.604
   26    HG1  THR   5           1HG      THR   5 -14.858  15.037   9.482
   27   1HG2  THR   5          1HG2      THR   5 -12.796  16.860   9.062
   28   2HG2  THR   5          2HG2      THR   5 -12.568  16.438   7.366
   29   3HG2  THR   5          3HG2      THR   5 -11.348  15.990   8.557
   30    H    PHE   6           H        PHE   6 -11.932  11.474   6.748
   31    HA   PHE   6           HA       PHE   6 -13.886   9.796   7.943
   32   1HB   PHE   6          2HB       PHE   6 -11.181   8.978   6.868
   33   2HB   PHE   6          1HB       PHE   6 -12.582   7.938   7.094
   34    HD1  PHE   6           1HD      PHE   6 -14.766   8.862   5.826
   35    HD2  PHE   6           2HD      PHE   6 -10.733   9.670   4.738
   36    HE1  PHE   6           1HE      PHE   6 -15.487   9.342   3.523
   37    HE2  PHE   6           2HE      PHE   6 -11.446  10.150   2.434
   38    HZ   PHE   6           HZ       PHE   6 -13.826   9.987   1.823
   39    H    THR   7           H        THR   7 -10.460  10.334   8.657
   40    HA   THR   7           HA       THR   7  -9.266  10.267  10.571
   41    HB   THR   7           HB       THR   7 -11.948   9.841  11.868
   42    HG1  THR   7           1HG      THR   7 -11.990  11.872  11.244
   43   1HG2  THR   7          1HG2      THR   7  -9.810  10.969  13.505
   44   2HG2  THR   7          2HG2      THR   7  -9.592   9.269  13.096
   45   3HG2  THR   7          3HG2      THR   7 -11.061   9.797  13.916
   46    H    SER   8           H        SER   8 -11.799   7.781  10.728
   47    HA   SER   8           HA       SER   8 -10.010   5.853  11.878
   48   1HB   SER   8          2HB       SER   8 -11.964   4.282  11.560
   49   2HB   SER   8          1HB       SER   8 -12.305   5.707  12.540
   50    HG   SER   8           HG       SER   8 -13.737   4.976  10.601
   51    H    ASP   9           H        ASP   9 -11.610   6.219   8.734
   52    HA   ASP   9           HA       ASP   9 -10.289   3.936   7.603
   53   1HB   ASP   9          2HB       ASP   9 -12.528   4.639   6.841
   54   2HB   ASP   9          1HB       ASP   9 -11.842   6.142   6.231
   55    H    LEU  10           H        LEU  10  -9.875   7.439   7.407
   56    HA   LEU  10           HA       LEU  10  -7.895   7.473   5.414
   57   1HB   LEU  10          2HB       LEU  10  -9.274   9.376   6.743
   58   2HB   LEU  10          1HB       LEU  10  -7.726   9.512   7.551
   59    HG   LEU  10           HG       LEU  10  -8.031  11.091   5.647
   60   1HD1  LEU  10          1HD1      LEU  10  -5.824  10.915   4.876
   61   2HD1  LEU  10          2HD1      LEU  10  -5.806   9.162   5.063
   62   3HD1  LEU  10          3HD1      LEU  10  -5.802  10.201   6.488
   63   1HD2  LEU  10          1HD2      LEU  10  -8.651  10.433   3.612
   64   2HD2  LEU  10          2HD2      LEU  10  -9.012   8.861   4.324
   65   3HD2  LEU  10          3HD2      LEU  10  -7.441   9.151   3.579
   66    H    SER  11           H        SER  11  -7.669   7.098   8.925
   67    HA   SER  11           HA       SER  11  -4.867   7.321   9.133
   68   1HB   SER  11          2HB       SER  11  -7.038   6.220  10.856
   69   2HB   SER  11          1HB       SER  11  -5.376   5.768  11.236
   70    HG   SER  11           HG       SER  11  -5.452   7.615  12.274
   71    H    LYS  12           H        LYS  12  -6.977   4.518   8.662
   72    HA   LYS  12           HA       LYS  12  -4.893   2.584   8.731
   73   1HB   LYS  12          2HB       LYS  12  -7.418   2.232   9.065
   74   2HB   LYS  12          1HB       LYS  12  -7.523   2.217   7.311
   75   1HG   LYS  12          2HG       LYS  12  -5.445   0.452   7.985
   76   2HG   LYS  12          1HG       LYS  12  -6.771   0.115   9.100
   77   1HD   LYS  12          2HD       LYS  12  -8.242  -0.428   7.383
   78   2HD   LYS  12          1HD       LYS  12  -7.290   0.426   6.166
   79   1HE   LYS  12          2HE       LYS  12  -5.530  -1.470   7.074
   80   2HE   LYS  12          1HE       LYS  12  -7.071  -2.323   7.141
   81   1HZ   LYS  12          1HZ       LYS  12  -5.874  -2.533   4.994
   82   2HZ   LYS  12          2HZ       LYS  12  -6.091  -0.875   4.741
   83   3HZ   LYS  12          3HZ       LYS  12  -7.435  -1.898   4.840
   84    H    GLN  13           H        GLN  13  -6.496   4.340   6.102
   85    HA   GLN  13           HA       GLN  13  -5.245   2.920   3.989
   86   1HB   GLN  13          2HB       GLN  13  -6.764   5.487   4.209
   87   2HB   GLN  13          1HB       GLN  13  -5.860   5.162   2.736
   88   1HG   GLN  13          2HG       GLN  13  -7.745   3.111   3.809
   89   2HG   GLN  13          1HG       GLN  13  -8.361   4.495   2.908
   90   1HE2  GLN  13          1HE2      GLN  13  -9.078   2.588   1.560
   91   2HE2  GLN  13          2HE2      GLN  13  -8.010   2.085   0.300
   92    H    MET  14           H        MET  14  -4.464   5.980   5.619
   93    HA   MET  14           HA       MET  14  -2.311   6.735   3.995
   94   1HB   MET  14          2HB       MET  14  -3.362   7.488   6.629
   95   2HB   MET  14          1HB       MET  14  -1.627   7.714   6.471
   96   1HG   MET  14          2HG       MET  14  -2.106   8.981   4.345
   97   2HG   MET  14          1HG       MET  14  -3.805   8.939   4.811
   98   1HE   MET  14          1HE       MET  14  -2.962  12.326   4.914
   99   2HE   MET  14          2HE       MET  14  -1.995  11.145   4.031
  100   3HE   MET  14          3HE       MET  14  -1.245  12.143   5.277
  101    H    GLU  15           H        GLU  15  -2.373   4.764   6.955
  102    HA   GLU  15           HA       GLU  15   0.434   4.413   7.120
  103   1HB   GLU  15          2HB       GLU  15  -1.855   2.814   8.267
  104   2HB   GLU  15          1HB       GLU  15  -0.168   2.480   8.627
  105   1HG   GLU  15          2HG       GLU  15  -1.654   5.024   9.242
  106   2HG   GLU  15          1HG       GLU  15  -1.173   3.782  10.395
  107    H    GLU  16           H        GLU  16  -2.144   2.489   5.622
  108    HA   GLU  16           HA       GLU  16  -0.488   0.297   4.907
  109   1HB   GLU  16          2HB       GLU  16  -3.163   1.246   3.888
  110   2HB   GLU  16          1HB       GLU  16  -2.384  -0.211   3.287
  111   1HG   GLU  16          2HG       GLU  16  -2.779   0.125   6.222
  112   2HG   GLU  16          1HG       GLU  16  -4.149  -0.328   5.208
  113    H    GLU  17           H        GLU  17  -1.497   3.222   3.166
  114    HA   GLU  17           HA       GLU  17  -0.404   2.560   0.664
  115   1HB   GLU  17          2HB       GLU  17  -1.630   4.843   1.879
  116   2HB   GLU  17          1HB       GLU  17  -0.183   5.368   1.031
  117   1HG   GLU  17          2HG       GLU  17  -1.004   4.784  -1.021
  118   2HG   GLU  17          1HG       GLU  17  -2.072   3.545  -0.365
  119    H    ALA  18           H        ALA  18   1.007   4.169   3.473
  120    HA   ALA  18           HA       ALA  18   3.445   4.940   2.319
  121   1HB   ALA  18          1HB       ALA  18   2.498   5.669   4.547
  122   2HB   ALA  18          2HB       ALA  18   4.226   5.321   4.516
  123   3HB   ALA  18          3HB       ALA  18   3.103   4.147   5.201
  124    H    VAL  19           H        VAL  19   2.440   1.898   3.828
  125    HA   VAL  19           HA       VAL  19   4.978   0.670   3.944
  126    HB   VAL  19           HB       VAL  19   2.328  -0.736   3.538
  127   1HG1  VAL  19          1HG1      VAL  19   3.340  -2.686   4.143
  128   2HG1  VAL  19          2HG1      VAL  19   4.556  -1.880   5.135
  129   3HG1  VAL  19          3HG1      VAL  19   4.714  -1.887   3.379
  130   1HG2  VAL  19          1HG2      VAL  19   3.143   0.894   5.708
  131   2HG2  VAL  19          2HG2      VAL  19   3.189  -0.783   6.253
  132   3HG2  VAL  19          3HG2      VAL  19   1.704  -0.116   5.576
  133    H    ARG  20           H        ARG  20   2.503   0.770   1.410
  134    HA   ARG  20           HA       ARG  20   3.635  -1.056  -0.380
  135   1HB   ARG  20          2HB       ARG  20   1.602   1.043  -0.468
  136   2HB   ARG  20          1HB       ARG  20   2.450   0.856  -1.998
  137   1HG   ARG  20          2HG       ARG  20   1.622  -1.671  -0.777
  138   2HG   ARG  20          1HG       ARG  20   0.289  -0.596  -1.205
  139   1HD   ARG  20          2HD       ARG  20   2.493  -1.107  -3.161
  140   2HD   ARG  20          1HD       ARG  20   1.204  -2.291  -2.959
  141    HE   ARG  20           HE       ARG  20   1.017   0.286  -4.225
  142   1HH1  ARG  20          1HH1      ARG  20  -0.789  -2.265  -2.644
  143   2HH1  ARG  20          2HH1      ARG  20  -2.288  -1.835  -3.396
  144   1HH2  ARG  20          1HH2      ARG  20  -0.962   0.846  -5.211
  145   2HH2  ARG  20          2HH2      ARG  20  -2.387  -0.072  -4.852
  146    H    LEU  21           H        LEU  21   4.184   2.444  -0.023
  147    HA   LEU  21           HA       LEU  21   5.907   2.733  -2.242
  148   1HB   LEU  21          2HB       LEU  21   5.398   4.318   0.245
  149   2HB   LEU  21          1HB       LEU  21   6.773   4.729  -0.763
  150    HG   LEU  21           HG       LEU  21   4.425   4.473  -2.402
  151   1HD1  LEU  21          1HD1      LEU  21   3.020   6.166  -1.524
  152   2HD1  LEU  21          2HD1      LEU  21   4.175   6.557  -0.249
  153   3HD1  LEU  21          3HD1      LEU  21   3.312   5.021  -0.214
  154   1HD2  LEU  21          1HD2      LEU  21   6.578   5.727  -2.817
  155   2HD2  LEU  21          2HD2      LEU  21   5.970   6.959  -1.711
  156   3HD2  LEU  21          3HD2      LEU  21   5.092   6.597  -3.198
  157    H    PHE  22           H        PHE  22   6.540   2.114   1.194
  158    HA   PHE  22           HA       PHE  22   9.355   2.091   1.052
  159   1HB   PHE  22          2HB       PHE  22   8.307   2.272   3.194
  160   2HB   PHE  22          1HB       PHE  22   7.400   0.784   2.949
  161    HD1  PHE  22           1HD      PHE  22   8.127  -1.082   4.034
  162    HD2  PHE  22           2HD      PHE  22  10.951   1.939   3.033
  163    HE1  PHE  22           1HE      PHE  22   9.893  -2.357   5.186
  164    HE2  PHE  22           2HE      PHE  22  12.721   0.674   4.182
  165    HZ   PHE  22           HZ       PHE  22  12.192  -1.477   5.262
  166    H    ILE  23           H        ILE  23   6.931  -0.463   0.653
  167    HA   ILE  23           HA       ILE  23   8.694  -2.646   0.427
  168    HB   ILE  23           HB       ILE  23   5.909  -2.200  -0.650
  169   1HG1  ILE  23          2HG1      ILE  23   6.735  -4.161   1.469
  170   2HG1  ILE  23          1HG1      ILE  23   6.494  -2.466   1.873
  171   1HG2  ILE  23          1HG2      ILE  23   5.853  -4.666  -1.038
  172   2HG2  ILE  23          2HG2      ILE  23   7.603  -4.686  -0.809
  173   3HG2  ILE  23          3HG2      ILE  23   6.898  -3.776  -2.145
  174   1HD1  ILE  23          1HD1      ILE  23   4.536  -4.001   2.252
  175   2HD1  ILE  23          2HD1      ILE  23   4.397  -4.112   0.497
  176   3HD1  ILE  23          3HD1      ILE  23   4.213  -2.553   1.300
  177    H    GLU  24           H        GLU  24   7.244  -0.524  -2.042
  178    HA   GLU  24           HA       GLU  24   8.416  -1.780  -4.282
  179   1HB   GLU  24          2HB       GLU  24   6.500  -0.081  -4.234
  180   2HB   GLU  24          1HB       GLU  24   7.745   1.155  -4.112
  181   1HG   GLU  24          2HG       GLU  24   8.728   0.119  -6.228
  182   2HG   GLU  24          1HG       GLU  24   7.187  -0.722  -6.380
  183    H    TRP  25           H        TRP  25   9.493   0.815  -2.151
  184    HA   TRP  25           HA       TRP  25  11.765   1.629  -3.588
  185   1HB   TRP  25          2HB       TRP  25  10.875   2.975  -1.780
  186   2HB   TRP  25          1HB       TRP  25  11.180   1.689  -0.620
  187    HD1  TRP  25           HD       TRP  25  13.196   4.066  -2.926
  188    HE1  TRP  25           1HE      TRP  25  15.447   4.555  -1.781
  189    HE3  TRP  25           3HE      TRP  25  12.717   1.005   1.137
  190    HZ2  TRP  25           2HZ      TRP  25  16.840   3.748   0.539
  191    HZ3  TRP  25           3HZ      TRP  25  14.558   0.918   2.771
  192    HH2  TRP  25           HH       TRP  25  16.575   2.263   2.476
  193    H    LEU  26           H        LEU  26  11.306  -0.889  -1.131
  194    HA   LEU  26           HA       LEU  26  14.045  -1.625  -0.942
  195   1HB   LEU  26          2HB       LEU  26  11.489  -3.042  -0.215
  196   2HB   LEU  26          1HB       LEU  26  13.065  -3.765   0.038
  197    HG   LEU  26           HG       LEU  26  12.095  -1.198   1.296
  198   1HD1  LEU  26          1HD1      LEU  26  12.493  -2.805   3.362
  199   2HD1  LEU  26          2HD1      LEU  26  12.110  -4.036   2.161
  200   3HD1  LEU  26          3HD1      LEU  26  10.954  -2.750   2.505
  201   1HD2  LEU  26          1HD2      LEU  26  14.139  -1.334   2.632
  202   2HD2  LEU  26          2HD2      LEU  26  14.507  -1.183   0.914
  203   3HD2  LEU  26          3HD2      LEU  26  14.650  -2.748   1.714
  204    H    LYS  27           H        LYS  27  11.307  -2.863  -2.827
  205    HA   LYS  27           HA       LYS  27  12.609  -5.072  -3.978
  206   1HB   LYS  27          2HB       LYS  27  10.124  -3.586  -4.421
  207   2HB   LYS  27          1HB       LYS  27  10.792  -4.275  -5.896
  208   1HG   LYS  27          2HG       LYS  27  10.346  -6.390  -5.274
  209   2HG   LYS  27          1HG       LYS  27  10.714  -6.083  -3.575
  210   1HD   LYS  27          2HD       LYS  27   8.582  -5.307  -3.118
  211   2HD   LYS  27          1HD       LYS  27   8.260  -4.894  -4.804
  212   1HE   LYS  27          2HE       LYS  27   8.751  -7.681  -4.682
  213   2HE   LYS  27          1HE       LYS  27   7.621  -7.288  -3.387
  214   1HZ   LYS  27          1HZ       LYS  27   6.899  -7.748  -5.917
  215   2HZ   LYS  27          2HZ       LYS  27   7.037  -6.062  -5.950
  216   3HZ   LYS  27          3HZ       LYS  27   5.998  -6.804  -4.840
  217    H    ASN  28           H        ASN  28  12.555  -1.668  -4.856
  218    HA   ASN  28           HA       ASN  28  13.759  -2.010  -7.426
  219   1HB   ASN  28          2HB       ASN  28  12.410   0.018  -6.283
  220   2HB   ASN  28          1HB       ASN  28  14.053   0.571  -5.998
  221   1HD2  ASN  28          1HD2      ASN  28  11.557   0.147  -8.289
  222   2HD2  ASN  28          2HD2      ASN  28  12.397   0.779  -9.661
  223    H    GLY  29           H        GLY  29  14.999  -2.192  -4.266
  224   1HA   GLY  29          2HA       GLY  29  17.404  -3.037  -4.420
  225   2HA   GLY  29          1HA       GLY  29  17.711  -1.478  -5.171
  226    H    GLY  30           H        GLY  30  15.429  -0.713  -2.981
  227   1HA   GLY  30          2HA       GLY  30  15.432   0.175  -0.867
  228   2HA   GLY  30          1HA       GLY  30  16.809  -0.857  -0.508
  229    HA   PRO  31           HA       PRO  31  18.767   3.198  -0.075
  230   1HB   PRO  31          2HB       PRO  31  21.129   1.505   0.488
  231   2HB   PRO  31          1HB       PRO  31  20.414   2.798   1.455
  232   1HG   PRO  31          2HG       PRO  31  20.155   0.238   2.171
  233   2HG   PRO  31          1HG       PRO  31  18.833   1.397   2.402
  234   1HD   PRO  31          2HD       PRO  31  19.176  -0.691   0.283
  235   2HD   PRO  31          1HD       PRO  31  17.711  -0.209   1.165
  236    H    SER  32           H        SER  32  19.927   0.452  -1.962
  237    HA   SER  32           HA       SER  32  21.634   2.210  -3.564
  238   1HB   SER  32          2HB       SER  32  22.344  -0.118  -2.631
  239   2HB   SER  32          1HB       SER  32  21.411  -0.757  -3.985
  240    HG   SER  32           HG       SER  32  23.770   0.758  -3.996
  241    H    SER  33           H        SER  33  18.605   2.142  -3.711
  242    HA   SER  33           HA       SER  33  18.102   1.061  -6.359
  243   1HB   SER  33          2HB       SER  33  16.276   0.750  -4.891
  244   2HB   SER  33          1HB       SER  33  16.361   2.405  -4.297
  245    HG   SER  33           HG       SER  33  14.796   2.627  -5.718
  246    H    GLY  34           H        GLY  34  18.828   4.131  -4.881
  247   1HA   GLY  34          2HA       GLY  34  19.807   5.832  -6.329
  248   2HA   GLY  34          1HA       GLY  34  18.604   5.409  -7.537
  249    H    ALA  35           H        ALA  35  17.856   5.759  -4.121
  250    HA   ALA  35           HA       ALA  35  17.084   8.457  -4.114
  251   1HB   ALA  35          1HB       ALA  35  14.502   7.259  -3.981
  252   2HB   ALA  35          2HB       ALA  35  15.261   6.793  -5.502
  253   3HB   ALA  35          3HB       ALA  35  15.089   8.499  -5.089
  254    HA   PRO  36           HA       PRO  36  16.806   7.570   0.203
  255   1HB   PRO  36          2HB       PRO  36  15.000   9.426   1.059
  256   2HB   PRO  36          1HB       PRO  36  16.668   9.816   0.630
  257   1HG   PRO  36          2HG       PRO  36  14.169  10.134  -0.983
  258   2HG   PRO  36          1HG       PRO  36  15.549  11.236  -0.825
  259   1HD   PRO  36          2HD       PRO  36  15.213   9.616  -2.969
  260   2HD   PRO  36          1HD       PRO  36  16.816  10.070  -2.356
  261    HA   PRO  37           HA       PRO  37  13.387   4.876   0.984
  262   1HB   PRO  37          2HB       PRO  37  13.243   4.958   3.700
  263   2HB   PRO  37          1HB       PRO  37  14.520   4.106   2.827
  264   1HG   PRO  37          2HG       PRO  37  14.576   6.827   4.077
  265   2HG   PRO  37          1HG       PRO  37  15.800   5.544   4.138
  266   1HD   PRO  37          2HD       PRO  37  16.017   7.650   2.468
  267   2HD   PRO  37          1HD       PRO  37  16.598   6.033   2.023
  268    HA   PRO  38           HA       PRO  38   9.905   7.662   1.303
  269   1HB   PRO  38          2HB       PRO  38   7.949   5.853   0.875
  270   2HB   PRO  38          1HB       PRO  38   9.010   6.417  -0.422
  271   1HG   PRO  38          2HG       PRO  38   9.139   3.890   1.173
  272   2HG   PRO  38          1HG       PRO  38   9.369   4.126  -0.569
  273   1HD   PRO  38          2HD       PRO  38  11.432   3.864   1.197
  274   2HD   PRO  38          1HD       PRO  38  11.551   4.785  -0.315
  275    H    SER  39           H        SER  39  10.340   8.030   3.595
  276    HA   SER  39           HA       SER  39   8.584   6.459   5.367
  277   1HB   SER  39          2HB       SER  39  10.096   7.373   7.219
  278   2HB   SER  39          1HB       SER  39  10.797   6.154   6.157
  279    HG   SER  39           HG       SER  39  12.113   7.609   5.326
  Start of MODEL   21
    1   1H    HIS   1          1HT       HIS   1 -27.423   8.316  14.734
    2   2H    HIS   1          2HT       HIS   1 -26.924   9.406  15.960
    3   3H    HIS   1          3HT       HIS   1 -25.800   8.300  15.284
    4    HA   HIS   1           HA       HIS   1 -27.191  10.284  13.638
    5   1HB   HIS   1          2HB       HIS   1 -25.200  11.748  13.975
    6   2HB   HIS   1          1HB       HIS   1 -26.156  11.536  15.438
    7    HD1  HIS   1           1HD      HIS   1 -22.826  10.738  13.943
    8    HD2  HIS   1           2HD      HIS   1 -24.872  10.142  17.511
    9    HE1  HIS   1           1HE      HIS   1 -21.097   9.939  15.586
   10    HE2  HIS   1           2HE      HIS   1 -22.343   9.669  17.759
   11    H    GLY   2           H        GLY   2 -26.426   7.530  13.095
   12   1HA   GLY   2          2HA       GLY   2 -25.528   6.437  11.273
   13   2HA   GLY   2          1HA       GLY   2 -24.902   7.979  10.709
   14    H    GLU   3           H        GLU   3 -23.264   6.016  10.231
   15    HA   GLU   3           HA       GLU   3 -21.090   6.432  12.132
   16   1HB   GLU   3          2HB       GLU   3 -22.539   3.959  11.893
   17   2HB   GLU   3          1HB       GLU   3 -20.880   3.720  11.365
   18   1HG   GLU   3          2HG       GLU   3 -20.080   4.654  13.485
   19   2HG   GLU   3          1HG       GLU   3 -21.752   4.852  14.014
   20    H    GLY   4           H        GLY   4 -19.928   7.619  10.676
   21   1HA   GLY   4          2HA       GLY   4 -19.521   6.694   7.964
   22   2HA   GLY   4          1HA       GLY   4 -18.840   8.140   8.690
   23    H    THR   5           H        THR   5 -17.511   7.067  10.873
   24    HA   THR   5           HA       THR   5 -15.521   6.171  11.489
   25    HB   THR   5           HB       THR   5 -15.914   4.074   9.356
   26    HG1  THR   5           1HG      THR   5 -17.148   4.246  11.904
   27   1HG2  THR   5          1HG2      THR   5 -13.848   3.778  10.466
   28   2HG2  THR   5          2HG2      THR   5 -14.968   2.596  11.142
   29   3HG2  THR   5          3HG2      THR   5 -14.578   4.061  12.045
   30    H    PHE   6           H        PHE   6 -14.714   8.189  10.455
   31    HA   PHE   6           HA       PHE   6 -12.904   7.549   8.217
   32   1HB   PHE   6          2HB       PHE   6 -14.747   9.819   8.631
   33   2HB   PHE   6          1HB       PHE   6 -13.153  10.239   8.017
   34    HD1  PHE   6           1HD      PHE   6 -12.562   9.834   5.778
   35    HD2  PHE   6           2HD      PHE   6 -16.155   8.186   7.359
   36    HE1  PHE   6           1HE      PHE   6 -13.261   9.189   3.509
   37    HE2  PHE   6           2HE      PHE   6 -16.859   7.539   5.092
   38    HZ   PHE   6           HZ       PHE   6 -15.412   8.040   3.163
   39    H    THR   7           H        THR   7 -12.747   7.809  11.361
   40    HA   THR   7           HA       THR   7 -10.491   9.677  11.487
   41    HB   THR   7           HB       THR   7 -11.702   8.304  13.870
   42    HG1  THR   7           1HG      THR   7 -12.684  10.626  12.569
   43   1HG2  THR   7          1HG2      THR   7  -9.638   9.657  14.150
   44   2HG2  THR   7          2HG2      THR   7 -11.017  10.230  15.089
   45   3HG2  THR   7          3HG2      THR   7 -10.549  11.067  13.610
   46    H    SER   8           H        SER   8 -11.390   6.391  12.480
   47    HA   SER   8           HA       SER   8  -8.641   5.678  13.019
   48   1HB   SER   8          2HB       SER   8 -10.612   4.805  14.342
   49   2HB   SER   8          1HB       SER   8 -11.032   3.831  12.934
   50    HG   SER   8           HG       SER   8  -9.434   2.517  13.362
   51    H    ASP   9           H        ASP   9 -11.078   4.962  10.559
   52    HA   ASP   9           HA       ASP   9  -9.572   3.051   9.130
   53   1HB   ASP   9          2HB       ASP   9 -11.957   3.192   8.780
   54   2HB   ASP   9          1HB       ASP   9 -11.825   4.864   8.244
   55    H    LEU  10           H        LEU  10  -9.978   6.544   8.671
   56    HA   LEU  10           HA       LEU  10  -8.388   6.796   6.372
   57   1HB   LEU  10          2HB       LEU  10  -9.914   8.496   7.827
   58   2HB   LEU  10          1HB       LEU  10  -8.315   9.031   8.304
   59    HG   LEU  10           HG       LEU  10  -9.138  10.372   6.459
   60   1HD1  LEU  10          1HD1      LEU  10  -7.250  10.279   5.056
   61   2HD1  LEU  10          2HD1      LEU  10  -7.018   8.555   5.350
   62   3HD1  LEU  10          3HD1      LEU  10  -6.701   9.718   6.635
   63   1HD2  LEU  10          1HD2      LEU  10  -9.099   8.779   4.218
   64   2HD2  LEU  10          2HD2      LEU  10 -10.541   9.381   5.037
   65   3HD2  LEU  10          3HD2      LEU  10  -9.922   7.772   5.409
   66    H    SER  11           H        SER  11  -7.549   6.919   9.813
   67    HA   SER  11           HA       SER  11  -4.855   7.671   9.504
   68   1HB   SER  11          2HB       SER  11  -6.126   7.732  11.659
   69   2HB   SER  11          1HB       SER  11  -6.022   5.972  11.720
   70    HG   SER  11           HG       SER  11  -4.356   7.012  12.923
   71    H    LYS  12           H        LYS  12  -6.393   4.481   9.706
   72    HA   LYS  12           HA       LYS  12  -3.968   3.004   9.545
   73   1HB   LYS  12          2HB       LYS  12  -6.388   2.286  10.303
   74   2HB   LYS  12          1HB       LYS  12  -6.563   1.854   8.608
   75   1HG   LYS  12          2HG       LYS  12  -5.021   0.160   8.734
   76   2HG   LYS  12          1HG       LYS  12  -4.179   0.883  10.105
   77   1HD   LYS  12          2HD       LYS  12  -6.328   0.409  11.425
   78   2HD   LYS  12          1HD       LYS  12  -6.762  -0.648  10.080
   79   1HE   LYS  12          2HE       LYS  12  -4.185  -1.406  10.615
   80   2HE   LYS  12          1HE       LYS  12  -4.803  -1.025  12.222
   81   1HZ   LYS  12          1HZ       LYS  12  -6.007  -2.926  10.283
   82   2HZ   LYS  12          2HZ       LYS  12  -6.676  -2.523  11.784
   83   3HZ   LYS  12          3HZ       LYS  12  -5.192  -3.329  11.710
   84    H    GLN  13           H        GLN  13  -6.264   4.194   7.145
   85    HA   GLN  13           HA       GLN  13  -5.376   2.760   4.915
   86   1HB   GLN  13          2HB       GLN  13  -7.274   4.715   5.393
   87   2HB   GLN  13          1HB       GLN  13  -6.143   5.520   4.315
   88   1HG   GLN  13          2HG       GLN  13  -6.865   4.383   2.554
   89   2HG   GLN  13          1HG       GLN  13  -6.774   2.844   3.409
   90   1HE2  GLN  13          1HE2      GLN  13  -8.599   1.981   4.309
   91   2HE2  GLN  13          2HE2      GLN  13 -10.176   2.656   4.097
   92    H    MET  14           H        MET  14  -4.358   5.974   6.087
   93    HA   MET  14           HA       MET  14  -2.450   6.502   4.112
   94   1HB   MET  14          2HB       MET  14  -2.649   7.401   6.986
   95   2HB   MET  14          1HB       MET  14  -1.405   7.991   5.893
   96   1HG   MET  14          2HG       MET  14  -3.438   8.576   4.363
   97   2HG   MET  14          1HG       MET  14  -4.341   8.495   5.875
   98   1HE   MET  14          1HE       MET  14  -4.100  12.301   5.400
   99   2HE   MET  14          2HE       MET  14  -5.027  10.837   5.070
  100   3HE   MET  14          3HE       MET  14  -3.792  11.375   3.931
  101    H    GLU  15           H        GLU  15  -2.182   4.738   7.167
  102    HA   GLU  15           HA       GLU  15   0.626   4.384   7.114
  103   1HB   GLU  15          2HB       GLU  15  -1.574   2.832   8.483
  104   2HB   GLU  15          1HB       GLU  15   0.134   2.484   8.711
  105   1HG   GLU  15          2HG       GLU  15   0.519   4.600   9.713
  106   2HG   GLU  15          1HG       GLU  15  -1.083   5.177   9.258
  107    H    GLU  16           H        GLU  16  -2.066   2.329   6.017
  108    HA   GLU  16           HA       GLU  16  -0.507   0.140   5.176
  109   1HB   GLU  16          2HB       GLU  16  -3.226   1.105   4.279
  110   2HB   GLU  16          1HB       GLU  16  -2.514  -0.411   3.747
  111   1HG   GLU  16          2HG       GLU  16  -2.948   0.256   6.643
  112   2HG   GLU  16          1HG       GLU  16  -4.162  -0.547   5.650
  113    H    GLU  17           H        GLU  17  -1.720   2.967   3.389
  114    HA   GLU  17           HA       GLU  17  -0.721   2.234   0.864
  115   1HB   GLU  17          2HB       GLU  17  -1.443   4.884   2.095
  116   2HB   GLU  17          1HB       GLU  17  -0.803   4.781   0.460
  117   1HG   GLU  17          2HG       GLU  17  -2.667   3.652  -0.337
  118   2HG   GLU  17          1HG       GLU  17  -3.172   3.147   1.275
  119    H    ALA  18           H        ALA  18   0.754   3.942   3.570
  120    HA   ALA  18           HA       ALA  18   3.080   4.836   2.252
  121   1HB   ALA  18          1HB       ALA  18   2.730   4.163   5.173
  122   2HB   ALA  18          2HB       ALA  18   2.344   5.711   4.422
  123   3HB   ALA  18          3HB       ALA  18   4.015   5.149   4.474
  124    H    VAL  19           H        VAL  19   2.301   1.799   3.895
  125    HA   VAL  19           HA       VAL  19   4.885   0.684   3.940
  126    HB   VAL  19           HB       VAL  19   2.312  -0.875   3.610
  127   1HG1  VAL  19          1HG1      VAL  19   3.442  -2.734   4.317
  128   2HG1  VAL  19          2HG1      VAL  19   4.637  -1.803   5.220
  129   3HG1  VAL  19          3HG1      VAL  19   4.739  -1.899   3.463
  130   1HG2  VAL  19          1HG2      VAL  19   2.920  -0.931   6.288
  131   2HG2  VAL  19          2HG2      VAL  19   1.669   0.060   5.537
  132   3HG2  VAL  19          3HG2      VAL  19   3.265   0.741   5.845
  133    H    ARG  20           H        ARG  20   2.325   0.573   1.479
  134    HA   ARG  20           HA       ARG  20   3.518  -1.216  -0.303
  135   1HB   ARG  20          2HB       ARG  20   1.164   0.017  -0.287
  136   2HB   ARG  20          1HB       ARG  20   1.991   1.108  -1.389
  137   1HG   ARG  20          2HG       ARG  20   0.861  -0.509  -2.701
  138   2HG   ARG  20          1HG       ARG  20   2.583  -0.885  -2.781
  139   1HD   ARG  20          2HD       ARG  20   2.249  -2.909  -1.923
  140   2HD   ARG  20          1HD       ARG  20   1.351  -2.243  -0.560
  141    HE   ARG  20           HE       ARG  20   0.265  -3.393  -2.975
  142   1HH1  ARG  20          1HH1      ARG  20  -0.383  -1.359  -0.196
  143   2HH1  ARG  20          2HH1      ARG  20  -2.097  -1.579  -0.284
  144   1HH2  ARG  20          1HH2      ARG  20  -1.994  -3.675  -3.082
  145   2HH2  ARG  20          2HH2      ARG  20  -3.011  -2.894  -1.920
  146    H    LEU  21           H        LEU  21   3.872   2.314  -0.045
  147    HA   LEU  21           HA       LEU  21   5.530   2.648  -2.307
  148   1HB   LEU  21          2HB       LEU  21   4.536   4.274  -0.158
  149   2HB   LEU  21          1HB       LEU  21   6.251   4.576  -0.362
  150    HG   LEU  21           HG       LEU  21   5.108   4.590  -2.953
  151   1HD1  LEU  21          1HD1      LEU  21   2.949   4.925  -1.750
  152   2HD1  LEU  21          2HD1      LEU  21   3.400   6.250  -2.822
  153   3HD1  LEU  21          3HD1      LEU  21   3.615   6.414  -1.080
  154   1HD2  LEU  21          1HD2      LEU  21   5.809   6.968  -2.880
  155   2HD2  LEU  21          2HD2      LEU  21   7.059   5.852  -2.327
  156   3HD2  LEU  21          3HD2      LEU  21   6.127   6.786  -1.156
  157    H    PHE  22           H        PHE  22   6.266   2.132   1.126
  158    HA   PHE  22           HA       PHE  22   9.072   2.265   0.919
  159   1HB   PHE  22          2HB       PHE  22   8.061   2.432   3.084
  160   2HB   PHE  22          1HB       PHE  22   7.249   0.883   2.893
  161    HD1  PHE  22           1HD      PHE  22   8.122  -0.897   4.019
  162    HD2  PHE  22           2HD      PHE  22  10.722   2.258   2.839
  163    HE1  PHE  22           1HE      PHE  22   9.997  -2.023   5.151
  164    HE2  PHE  22           2HE      PHE  22  12.601   1.138   3.965
  165    HZ   PHE  22           HZ       PHE  22  12.240  -1.005   5.123
  166    H    ILE  23           H        ILE  23   6.795  -0.438   0.666
  167    HA   ILE  23           HA       ILE  23   8.663  -2.524   0.424
  168    HB   ILE  23           HB       ILE  23   5.842  -2.262  -0.623
  169   1HG1  ILE  23          2HG1      ILE  23   6.783  -4.063   1.589
  170   2HG1  ILE  23          1HG1      ILE  23   6.444  -2.365   1.906
  171   1HG2  ILE  23          1HG2      ILE  23   7.508  -4.771  -0.527
  172   2HG2  ILE  23          2HG2      ILE  23   7.128  -3.866  -1.991
  173   3HG2  ILE  23          3HG2      ILE  23   5.836  -4.631  -1.068
  174   1HD1  ILE  23          1HD1      ILE  23   4.183  -2.610   1.488
  175   2HD1  ILE  23          2HD1      ILE  23   4.599  -4.114   2.308
  176   3HD1  ILE  23          3HD1      ILE  23   4.412  -4.088   0.554
  177    H    GLU  24           H        GLU  24   7.063  -0.506  -2.036
  178    HA   GLU  24           HA       GLU  24   8.181  -1.739  -4.304
  179   1HB   GLU  24          2HB       GLU  24   6.247  -0.140  -4.295
  180   2HB   GLU  24          1HB       GLU  24   7.392   1.167  -4.022
  181   1HG   GLU  24          2HG       GLU  24   8.344   0.935  -6.142
  182   2HG   GLU  24          1HG       GLU  24   7.642  -0.666  -6.380
  183    H    TRP  25           H        TRP  25   9.316   0.897  -2.242
  184    HA   TRP  25           HA       TRP  25  11.528   1.681  -3.793
  185   1HB   TRP  25          2HB       TRP  25  10.717   3.116  -2.034
  186   2HB   TRP  25          1HB       TRP  25  11.004   1.875  -0.821
  187    HD1  TRP  25           HD       TRP  25  13.111   4.002  -3.301
  188    HE1  TRP  25           1HE      TRP  25  15.354   4.540  -2.161
  189    HE3  TRP  25           3HE      TRP  25  12.462   1.382   1.040
  190    HZ2  TRP  25           2HZ      TRP  25  16.673   3.935   0.261
  191    HZ3  TRP  25           3HZ      TRP  25  14.262   1.415   2.716
  192    HH2  TRP  25           HH       TRP  25  16.323   2.665   2.333
  193    H    LEU  26           H        LEU  26  11.144  -0.806  -1.302
  194    HA   LEU  26           HA       LEU  26  13.915  -1.470  -1.164
  195   1HB   LEU  26          2HB       LEU  26  11.434  -2.974  -0.338
  196   2HB   LEU  26          1HB       LEU  26  13.059  -3.570  -0.055
  197    HG   LEU  26           HG       LEU  26  11.898  -1.020   1.076
  198   1HD1  LEU  26          1HD1      LEU  26  12.115  -3.798   2.074
  199   2HD1  LEU  26          2HD1      LEU  26  10.906  -2.559   2.409
  200   3HD1  LEU  26          3HD1      LEU  26  12.474  -2.502   3.214
  201   1HD2  LEU  26          1HD2      LEU  26  14.547  -2.326   1.680
  202   2HD2  LEU  26          2HD2      LEU  26  13.937  -0.797   2.311
  203   3HD2  LEU  26          3HD2      LEU  26  14.345  -0.945   0.601
  204    H    LYS  27           H        LYS  27  11.219  -2.516  -3.146
  205    HA   LYS  27           HA       LYS  27  12.387  -4.857  -4.215
  206   1HB   LYS  27          2HB       LYS  27  10.216  -3.023  -5.225
  207   2HB   LYS  27          1HB       LYS  27  10.702  -4.476  -6.086
  208   1HG   LYS  27          2HG       LYS  27   9.885  -5.886  -4.432
  209   2HG   LYS  27          1HG       LYS  27   9.878  -4.609  -3.213
  210   1HD   LYS  27          2HD       LYS  27   7.761  -4.132  -3.698
  211   2HD   LYS  27          1HD       LYS  27   8.199  -3.812  -5.376
  212   1HE   LYS  27          2HE       LYS  27   7.673  -6.571  -4.285
  213   2HE   LYS  27          1HE       LYS  27   6.434  -5.569  -5.036
  214   1HZ   LYS  27          1HZ       LYS  27   7.175  -6.849  -6.783
  215   2HZ   LYS  27          2HZ       LYS  27   8.786  -6.837  -6.270
  216   3HZ   LYS  27          3HZ       LYS  27   8.115  -5.456  -6.977
  217    H    ASN  28           H        ASN  28  12.486  -1.459  -5.218
  218    HA   ASN  28           HA       ASN  28  13.852  -2.007  -7.674
  219   1HB   ASN  28          2HB       ASN  28  14.013   0.380  -7.946
  220   2HB   ASN  28          1HB       ASN  28  12.413  -0.003  -7.327
  221   1HD2  ASN  28          1HD2      ASN  28  11.890   1.805  -6.277
  222   2HD2  ASN  28          2HD2      ASN  28  12.797   2.494  -4.980
  223    H    GLY  29           H        GLY  29  14.910  -2.038  -4.476
  224   1HA   GLY  29          2HA       GLY  29  17.354  -2.842  -4.534
  225   2HA   GLY  29          1HA       GLY  29  17.648  -1.254  -5.221
  226    H    GLY  30           H        GLY  30  15.327  -0.386  -3.254
  227   1HA   GLY  30          2HA       GLY  30  15.185   0.515  -1.155
  228   2HA   GLY  30          1HA       GLY  30  16.354  -0.693  -0.643
  229    HA   PRO  31           HA       PRO  31  18.693   3.110   0.131
  230   1HB   PRO  31          2HB       PRO  31  20.634   1.161   1.216
  231   2HB   PRO  31          1HB       PRO  31  19.898   2.566   1.990
  232   1HG   PRO  31          2HG       PRO  31  19.180   0.077   2.657
  233   2HG   PRO  31          1HG       PRO  31  17.999   1.399   2.606
  234   1HD   PRO  31          2HD       PRO  31  18.492  -0.782   0.613
  235   2HD   PRO  31          1HD       PRO  31  16.954  -0.094   1.176
  236    H    SER  32           H        SER  32  19.899   0.117  -1.332
  237    HA   SER  32           HA       SER  32  22.105   1.556  -2.589
  238   1HB   SER  32          2HB       SER  32  22.567  -0.874  -3.451
  239   2HB   SER  32          1HB       SER  32  22.914  -0.465  -1.774
  240    HG   SER  32           HG       SER  32  20.727  -1.914  -2.824
  241    H    SER  33           H        SER  33  19.515   2.277  -3.488
  242    HA   SER  33           HA       SER  33  19.455   1.113  -6.195
  243   1HB   SER  33          2HB       SER  33  17.371   0.830  -4.846
  244   2HB   SER  33          1HB       SER  33  17.215   2.586  -4.791
  245    HG   SER  33           HG       SER  33  16.222   2.367  -6.622
  246    H    GLY  34           H        GLY  34  19.546   4.107  -4.339
  247   1HA   GLY  34          2HA       GLY  34  20.968   5.819  -5.554
  248   2HA   GLY  34          1HA       GLY  34  19.817   5.617  -6.862
  249    H    ALA  35           H        ALA  35  17.439   5.522  -5.433
  250    HA   ALA  35           HA       ALA  35  17.198   8.323  -4.652
  251   1HB   ALA  35          1HB       ALA  35  15.610   6.693  -6.193
  252   2HB   ALA  35          2HB       ALA  35  15.140   8.251  -5.518
  253   3HB   ALA  35          3HB       ALA  35  14.736   6.763  -4.664
  254    HA   PRO  36           HA       PRO  36  16.789   7.540  -0.325
  255   1HB   PRO  36          2HB       PRO  36  15.082   9.508   0.423
  256   2HB   PRO  36          1HB       PRO  36  16.758   9.821  -0.041
  257   1HG   PRO  36          2HG       PRO  36  14.256  10.116  -1.660
  258   2HG   PRO  36          1HG       PRO  36  15.651  11.208  -1.545
  259   1HD   PRO  36          2HD       PRO  36  15.302   9.489  -3.613
  260   2HD   PRO  36          1HD       PRO  36  16.907   9.960  -3.017
  261    HA   PRO  37           HA       PRO  37  13.211   5.104   0.550
  262   1HB   PRO  37          2HB       PRO  37  12.844   5.517   3.215
  263   2HB   PRO  37          1HB       PRO  37  14.154   4.531   2.560
  264   1HG   PRO  37          2HG       PRO  37  14.212   7.371   3.499
  265   2HG   PRO  37          1HG       PRO  37  15.384   6.072   3.788
  266   1HD   PRO  37          2HD       PRO  37  15.780   7.984   1.921
  267   2HD   PRO  37          1HD       PRO  37  16.365   6.320   1.713
  268    HA   PRO  38           HA       PRO  38   9.711   7.846   0.295
  269   1HB   PRO  38          2HB       PRO  38   7.753   5.999   0.253
  270   2HB   PRO  38          1HB       PRO  38   8.848   6.233  -1.113
  271   1HG   PRO  38          2HG       PRO  38   8.911   4.151   1.032
  272   2HG   PRO  38          1HG       PRO  38   9.180   3.970  -0.711
  273   1HD   PRO  38          2HD       PRO  38  11.201   4.121   1.120
  274   2HD   PRO  38          1HD       PRO  38  11.365   4.646  -0.567
  275    H    SER  39           H        SER  39   7.622   8.269   1.431
  276    HA   SER  39           HA       SER  39   7.465   7.243   4.160
  277   1HB   SER  39          2HB       SER  39   7.166   9.651   4.984
  278   2HB   SER  39          1HB       SER  39   8.807   9.149   4.583
  279    HG   SER  39           HG       SER  39   7.112  10.933   3.265
  Start of MODEL   22
    1   1H    HIS   1          1HT       HIS   1 -20.295  14.516  16.881
    2   2H    HIS   1          2HT       HIS   1 -19.875  15.445  18.261
    3   3H    HIS   1          3HT       HIS   1 -20.765  13.989  18.442
    4    HA   HIS   1           HA       HIS   1 -17.970  14.321  17.588
    5   1HB   HIS   1          2HB       HIS   1 -19.299  12.946  19.939
    6   2HB   HIS   1          1HB       HIS   1 -17.574  12.898  19.593
    7    HD1  HIS   1           1HD      HIS   1 -17.024  15.842  19.001
    8    HD2  HIS   1           2HD      HIS   1 -19.414  14.531  22.136
    9    HE1  HIS   1           1HE      HIS   1 -17.024  17.718  20.674
   10    HE2  HIS   1           2HE      HIS   1 -18.408  16.868  22.600
   11    H    GLY   2           H        GLY   2 -17.177  12.835  16.241
   12   1HA   GLY   2          2HA       GLY   2 -16.836  10.753  15.270
   13   2HA   GLY   2          1HA       GLY   2 -18.144  10.111  16.251
   14    H    GLU   3           H        GLU   3 -20.085   9.781  15.337
   15    HA   GLU   3           HA       GLU   3 -21.655   9.520  13.717
   16   1HB   GLU   3          2HB       GLU   3 -21.651  12.071  14.204
   17   2HB   GLU   3          1HB       GLU   3 -20.886  12.214  12.628
   18   1HG   GLU   3          2HG       GLU   3 -22.788  11.140  11.578
   19   2HG   GLU   3          1HG       GLU   3 -23.547  10.908  13.153
   20    H    GLY   4           H        GLY   4 -19.776   7.985  12.963
   21   1HA   GLY   4          2HA       GLY   4 -19.806   7.296  10.464
   22   2HA   GLY   4          1HA       GLY   4 -18.845   8.755  10.281
   23    H    THR   5           H        THR   5 -17.201   8.612  12.509
   24    HA   THR   5           HA       THR   5 -15.218   7.747  13.203
   25    HB   THR   5           HB       THR   5 -16.267   5.002  12.521
   26    HG1  THR   5           1HG      THR   5 -17.863   5.428  13.804
   27   1HG2  THR   5          1HG2      THR   5 -14.385   4.407  13.534
   28   2HG2  THR   5          2HG2      THR   5 -15.158   4.938  15.026
   29   3HG2  THR   5          3HG2      THR   5 -14.096   6.034  14.146
   30    H    PHE   6           H        PHE   6 -15.056   8.748  10.743
   31    HA   PHE   6           HA       PHE   6 -13.874   6.796   8.940
   32   1HB   PHE   6          2HB       PHE   6 -13.745   8.635   7.333
   33   2HB   PHE   6          1HB       PHE   6 -15.363   8.518   8.013
   34    HD1  PHE   6           1HD      PHE   6 -12.280  10.497   7.907
   35    HD2  PHE   6           2HD      PHE   6 -16.257  10.263   9.403
   36    HE1  PHE   6           1HE      PHE   6 -12.181  12.874   8.531
   37    HE2  PHE   6           2HE      PHE   6 -16.165  12.639  10.030
   38    HZ   PHE   6           HZ       PHE   6 -14.125  13.949   9.594
   39    H    THR   7           H        THR   7 -12.869   9.370  11.093
   40    HA   THR   7           HA       THR   7 -10.279   9.804  10.132
   41    HB   THR   7           HB       THR   7 -11.127   9.938  13.026
   42    HG1  THR   7           1HG      THR   7 -12.525  11.328  12.294
   43   1HG2  THR   7          1HG2      THR   7  -8.822  10.362  12.918
   44   2HG2  THR   7          2HG2      THR   7  -9.595  11.946  12.984
   45   3HG2  THR   7          3HG2      THR   7  -8.986  11.325  11.450
   46    H    SER   8           H        SER   8 -11.510   7.403  12.411
   47    HA   SER   8           HA       SER   8  -9.045   6.363  13.263
   48   1HB   SER   8          2HB       SER   8 -11.824   5.214  13.133
   49   2HB   SER   8          1HB       SER   8 -10.462   4.242  13.691
   50    HG   SER   8           HG       SER   8 -10.354   5.387  15.473
   51    H    ASP   9           H        ASP   9 -11.168   5.380  10.602
   52    HA   ASP   9           HA       ASP   9  -9.485   3.251   9.728
   53   1HB   ASP   9          2HB       ASP   9 -12.063   3.884   9.239
   54   2HB   ASP   9          1HB       ASP   9 -11.321   4.510   7.770
   55    H    LEU  10           H        LEU  10  -9.820   6.647   8.848
   56    HA   LEU  10           HA       LEU  10  -8.270   6.640   6.511
   57   1HB   LEU  10          2HB       LEU  10  -9.251   8.652   8.417
   58   2HB   LEU  10          1HB       LEU  10  -7.786   9.111   7.570
   59    HG   LEU  10           HG       LEU  10 -10.306   8.208   6.179
   60   1HD1  LEU  10          1HD1      LEU  10 -10.984  10.394   5.931
   61   2HD1  LEU  10          2HD1      LEU  10  -9.380  11.044   6.266
   62   3HD1  LEU  10          3HD1      LEU  10 -10.361  10.398   7.580
   63   1HD2  LEU  10          1HD2      LEU  10  -8.787   7.959   4.531
   64   2HD2  LEU  10          2HD2      LEU  10  -7.602   9.003   5.319
   65   3HD2  LEU  10          3HD2      LEU  10  -8.937   9.712   4.410
   66    H    SER  11           H        SER  11  -7.337   6.984   9.912
   67    HA   SER  11           HA       SER  11  -4.648   7.664   9.519
   68   1HB   SER  11          2HB       SER  11  -5.978   7.710  11.701
   69   2HB   SER  11          1HB       SER  11  -5.638   5.983  11.820
   70    HG   SER  11           HG       SER  11  -3.896   8.164  12.019
   71    H    LYS  12           H        LYS  12  -6.204   4.498   9.830
   72    HA   LYS  12           HA       LYS  12  -3.774   3.011   9.630
   73   1HB   LYS  12          2HB       LYS  12  -6.677   2.377   9.679
   74   2HB   LYS  12          1HB       LYS  12  -5.607   1.173   8.977
   75   1HG   LYS  12          2HG       LYS  12  -5.287   0.425  11.039
   76   2HG   LYS  12          1HG       LYS  12  -4.337   1.884  11.326
   77   1HD   LYS  12          2HD       LYS  12  -5.829   2.084  13.038
   78   2HD   LYS  12          1HD       LYS  12  -6.745   2.911  11.775
   79   1HE   LYS  12          2HE       LYS  12  -8.168   1.101  11.452
   80   2HE   LYS  12          1HE       LYS  12  -7.042  -0.042  12.185
   81   1HZ   LYS  12          1HZ       LYS  12  -7.489   0.942  14.339
   82   2HZ   LYS  12          2HZ       LYS  12  -8.929   0.414  13.627
   83   3HZ   LYS  12          3HZ       LYS  12  -8.550   2.063  13.644
   84    H    GLN  13           H        GLN  13  -6.299   3.953   7.328
   85    HA   GLN  13           HA       GLN  13  -5.409   2.461   5.125
   86   1HB   GLN  13          2HB       GLN  13  -7.500   4.180   5.613
   87   2HB   GLN  13          1HB       GLN  13  -6.536   5.087   4.458
   88   1HG   GLN  13          2HG       GLN  13  -6.957   2.277   3.746
   89   2HG   GLN  13          1HG       GLN  13  -8.426   3.249   3.819
   90   1HE2  GLN  13          1HE2      GLN  13  -5.788   2.357   1.947
   91   2HE2  GLN  13          2HE2      GLN  13  -5.953   3.538   0.695
   92    H    MET  14           H        MET  14  -4.716   5.844   6.024
   93    HA   MET  14           HA       MET  14  -3.020   6.476   3.901
   94   1HB   MET  14          2HB       MET  14  -3.295   7.508   6.704
   95   2HB   MET  14          1HB       MET  14  -1.982   8.085   5.684
   96   1HG   MET  14          2HG       MET  14  -4.034   8.417   3.994
   97   2HG   MET  14          1HG       MET  14  -4.881   8.605   5.528
   98   1HE   MET  14          1HE       MET  14  -3.637  11.823   7.015
   99   2HE   MET  14          2HE       MET  14  -3.126  10.215   7.530
  100   3HE   MET  14          3HE       MET  14  -4.793  10.490   7.027
  101    H    GLU  15           H        GLU  15  -2.293   4.967   7.029
  102    HA   GLU  15           HA       GLU  15   0.510   4.936   6.777
  103   1HB   GLU  15          2HB       GLU  15  -1.485   3.757   8.539
  104   2HB   GLU  15          1HB       GLU  15  -0.139   2.663   8.251
  105   1HG   GLU  15          2HG       GLU  15   0.092   5.496   9.246
  106   2HG   GLU  15          1HG       GLU  15   0.193   4.044  10.241
  107    H    GLU  16           H        GLU  16  -1.984   2.700   5.671
  108    HA   GLU  16           HA       GLU  16  -0.360   0.552   4.918
  109   1HB   GLU  16          2HB       GLU  16  -3.016   0.965   4.916
  110   2HB   GLU  16          1HB       GLU  16  -2.698   1.186   3.200
  111   1HG   GLU  16          2HG       GLU  16  -1.391  -1.172   4.285
  112   2HG   GLU  16          1HG       GLU  16  -3.142  -1.205   4.487
  113    H    GLU  17           H        GLU  17  -1.179   3.531   3.202
  114    HA   GLU  17           HA       GLU  17  -0.146   2.834   0.682
  115   1HB   GLU  17          2HB       GLU  17  -0.765   5.398   2.073
  116   2HB   GLU  17          1HB       GLU  17   0.211   5.465   0.613
  117   1HG   GLU  17          2HG       GLU  17  -1.994   5.800  -0.090
  118   2HG   GLU  17          1HG       GLU  17  -1.618   4.130  -0.511
  119    H    ALA  18           H        ALA  18   1.367   4.292   3.520
  120    HA   ALA  18           HA       ALA  18   3.874   4.851   2.354
  121   1HB   ALA  18          1HB       ALA  18   4.697   5.085   4.622
  122   2HB   ALA  18          2HB       ALA  18   3.268   4.266   5.250
  123   3HB   ALA  18          3HB       ALA  18   3.110   5.840   4.473
  124    H    VAL  19           H        VAL  19   2.579   1.961   3.935
  125    HA   VAL  19           HA       VAL  19   5.012   0.521   4.098
  126    HB   VAL  19           HB       VAL  19   2.192  -0.559   3.882
  127   1HG1  VAL  19          1HG1      VAL  19   4.823  -1.847   4.250
  128   2HG1  VAL  19          2HG1      VAL  19   3.332  -2.482   3.552
  129   3HG1  VAL  19          3HG1      VAL  19   3.525  -2.409   5.304
  130   1HG2  VAL  19          1HG2      VAL  19   2.413   0.915   5.789
  131   2HG2  VAL  19          2HG2      VAL  19   3.875   0.074   6.305
  132   3HG2  VAL  19          3HG2      VAL  19   2.321  -0.758   6.337
  133    H    ARG  20           H        ARG  20   2.411   0.556   1.663
  134    HA   ARG  20           HA       ARG  20   3.519  -1.367  -0.070
  135   1HB   ARG  20          2HB       ARG  20   1.458   0.766  -0.288
  136   2HB   ARG  20          1HB       ARG  20   2.130   0.157  -1.795
  137   1HG   ARG  20          2HG       ARG  20   1.490  -2.115  -1.164
  138   2HG   ARG  20          1HG       ARG  20   0.816  -1.503   0.349
  139   1HD   ARG  20          2HD       ARG  20  -0.918  -0.378  -0.748
  140   2HD   ARG  20          1HD       ARG  20  -0.098  -0.451  -2.308
  141    HE   ARG  20           HE       ARG  20  -0.786  -3.028  -1.217
  142   1HH1  ARG  20          1HH1      ARG  20  -1.908  -0.345  -3.169
  143   2HH1  ARG  20          2HH1      ARG  20  -3.073  -1.298  -4.025
  144   1HH2  ARG  20          1HH2      ARG  20  -2.318  -4.276  -2.352
  145   2HH2  ARG  20          2HH2      ARG  20  -3.306  -3.529  -3.561
  146    H    LEU  21           H        LEU  21   3.908   2.150   0.116
  147    HA   LEU  21           HA       LEU  21   5.478   2.444  -2.221
  148   1HB   LEU  21          2HB       LEU  21   4.727   4.091   0.090
  149   2HB   LEU  21          1HB       LEU  21   6.312   4.469  -0.556
  150    HG   LEU  21           HG       LEU  21   4.170   4.241  -2.569
  151   1HD1  LEU  21          1HD1      LEU  21   2.779   5.344  -1.072
  152   2HD1  LEU  21          2HD1      LEU  21   3.506   6.660  -1.993
  153   3HD1  LEU  21          3HD1      LEU  21   4.103   6.282  -0.378
  154   1HD2  LEU  21          1HD2      LEU  21   6.093   5.021  -3.512
  155   2HD2  LEU  21          2HD2      LEU  21   6.611   5.853  -2.046
  156   3HD2  LEU  21          3HD2      LEU  21   5.355   6.559  -3.063
  157    H    PHE  22           H        PHE  22   6.313   1.992   1.199
  158    HA   PHE  22           HA       PHE  22   9.113   2.123   0.925
  159   1HB   PHE  22          2HB       PHE  22   8.137   2.294   3.113
  160   2HB   PHE  22          1HB       PHE  22   7.340   0.735   2.944
  161    HD1  PHE  22           1HD      PHE  22   8.262  -1.040   4.043
  162    HD2  PHE  22           2HD      PHE  22  10.791   2.160   2.828
  163    HE1  PHE  22           1HE      PHE  22  10.176  -2.143   5.130
  164    HE2  PHE  22           2HE      PHE  22  12.708   1.065   3.913
  165    HZ   PHE  22           HZ       PHE  22  12.403  -1.090   5.065
  166    H    ILE  23           H        ILE  23   6.832  -0.586   0.736
  167    HA   ILE  23           HA       ILE  23   8.687  -2.675   0.474
  168    HB   ILE  23           HB       ILE  23   5.841  -2.380  -0.476
  169   1HG1  ILE  23          2HG1      ILE  23   6.865  -4.318   1.576
  170   2HG1  ILE  23          1HG1      ILE  23   6.590  -2.633   2.012
  171   1HG2  ILE  23          1HG2      ILE  23   5.873  -4.835  -0.889
  172   2HG2  ILE  23          2HG2      ILE  23   7.631  -4.790  -0.735
  173   3HG2  ILE  23          3HG2      ILE  23   6.835  -3.899  -2.033
  174   1HD1  ILE  23          1HD1      ILE  23   4.653  -3.860   2.606
  175   2HD1  ILE  23          2HD1      ILE  23   4.572  -4.623   1.018
  176   3HD1  ILE  23          3HD1      ILE  23   4.246  -2.898   1.186
  177    H    GLU  24           H        GLU  24   7.055  -0.678  -1.985
  178    HA   GLU  24           HA       GLU  24   8.159  -1.911  -4.258
  179   1HB   GLU  24          2HB       GLU  24   6.225  -0.317  -4.253
  180   2HB   GLU  24          1HB       GLU  24   7.363   0.992  -3.969
  181   1HG   GLU  24          2HG       GLU  24   7.118   1.137  -6.228
  182   2HG   GLU  24          1HG       GLU  24   8.510   0.059  -6.129
  183    H    TRP  25           H        TRP  25   9.302   0.727  -2.212
  184    HA   TRP  25           HA       TRP  25  11.501   1.526  -3.772
  185   1HB   TRP  25          2HB       TRP  25  10.680   2.940  -1.996
  186   2HB   TRP  25          1HB       TRP  25  10.999   1.696  -0.794
  187    HD1  TRP  25           HD       TRP  25  13.026   3.909  -3.262
  188    HE1  TRP  25           1HE      TRP  25  15.272   4.473  -2.141
  189    HE3  TRP  25           3HE      TRP  25  12.502   1.176   1.023
  190    HZ2  TRP  25           2HZ      TRP  25  16.646   3.841   0.242
  191    HZ3  TRP  25           3HZ      TRP  25  14.330   1.206   2.673
  192    HH2  TRP  25           HH       TRP  25  16.357   2.512   2.288
  193    H    LEU  26           H        LEU  26  11.143  -0.973  -1.293
  194    HA   LEU  26           HA       LEU  26  13.911  -1.640  -1.162
  195   1HB   LEU  26          2HB       LEU  26  11.425  -3.159  -0.380
  196   2HB   LEU  26          1HB       LEU  26  13.049  -3.756  -0.096
  197    HG   LEU  26           HG       LEU  26  11.890  -1.219   1.061
  198   1HD1  LEU  26          1HD1      LEU  26  11.778  -3.979   1.903
  199   2HD1  LEU  26          2HD1      LEU  26  10.971  -2.559   2.574
  200   3HD1  LEU  26          3HD1      LEU  26  12.605  -2.976   3.095
  201   1HD2  LEU  26          1HD2      LEU  26  14.522  -2.561   1.662
  202   2HD2  LEU  26          2HD2      LEU  26  13.918  -1.044   2.330
  203   3HD2  LEU  26          3HD2      LEU  26  14.335  -1.148   0.618
  204    H    LYS  27           H        LYS  27  11.223  -2.657  -3.167
  205    HA   LYS  27           HA       LYS  27  12.407  -4.971  -4.281
  206   1HB   LYS  27          2HB       LYS  27  10.192  -3.148  -5.197
  207   2HB   LYS  27          1HB       LYS  27  10.709  -4.530  -6.151
  208   1HG   LYS  27          2HG       LYS  27  10.337  -5.809  -3.875
  209   2HG   LYS  27          1HG       LYS  27   9.263  -4.445  -3.558
  210   1HD   LYS  27          2HD       LYS  27   9.016  -5.738  -6.208
  211   2HD   LYS  27          1HD       LYS  27   8.476  -6.680  -4.818
  212   1HE   LYS  27          2HE       LYS  27   7.420  -4.161  -4.366
  213   2HE   LYS  27          1HE       LYS  27   7.246  -4.384  -6.105
  214   1HZ   LYS  27          1HZ       LYS  27   6.246  -6.212  -3.990
  215   2HZ   LYS  27          2HZ       LYS  27   6.142  -6.513  -5.652
  216   3HZ   LYS  27          3HZ       LYS  27   5.307  -5.206  -4.975
  217    H    ASN  28           H        ASN  28  12.628  -1.549  -5.096
  218    HA   ASN  28           HA       ASN  28  13.982  -2.080  -7.600
  219   1HB   ASN  28          2HB       ASN  28  14.060   0.311  -7.898
  220   2HB   ASN  28          1HB       ASN  28  12.455  -0.132  -7.320
  221   1HD2  ASN  28          1HD2      ASN  28  11.817   1.643  -6.289
  222   2HD2  ASN  28          2HD2      ASN  28  12.660   2.391  -4.982
  223    H    GLY  29           H        GLY  29  15.060  -2.543  -4.608
  224   1HA   GLY  29          2HA       GLY  29  17.459  -3.075  -4.471
  225   2HA   GLY  29          1HA       GLY  29  17.760  -1.525  -5.237
  226    H    GLY  30           H        GLY  30  15.318  -0.739  -3.268
  227   1HA   GLY  30          2HA       GLY  30  15.153   0.306  -1.243
  228   2HA   GLY  30          1HA       GLY  30  16.351  -0.842  -0.668
  229    HA   PRO  31           HA       PRO  31  18.605   3.019   0.006
  230   1HB   PRO  31          2HB       PRO  31  20.664   1.144   0.989
  231   2HB   PRO  31          1HB       PRO  31  19.909   2.515   1.807
  232   1HG   PRO  31          2HG       PRO  31  19.326  -0.016   2.474
  233   2HG   PRO  31          1HG       PRO  31  18.105   1.267   2.518
  234   1HD   PRO  31          2HD       PRO  31  18.521  -0.886   0.489
  235   2HD   PRO  31          1HD       PRO  31  17.008  -0.206   1.122
  236    H    SER  32           H        SER  32  19.750   0.114  -1.626
  237    HA   SER  32           HA       SER  32  21.934   1.591  -2.881
  238   1HB   SER  32          2HB       SER  32  22.130  -0.801  -1.918
  239   2HB   SER  32          1HB       SER  32  21.284  -1.307  -3.381
  240    HG   SER  32           HG       SER  32  23.021  -0.923  -4.523
  241    H    SER  33           H        SER  33  19.433   2.512  -3.642
  242    HA   SER  33           HA       SER  33  19.195   1.528  -6.408
  243   1HB   SER  33          2HB       SER  33  17.162   1.219  -4.946
  244   2HB   SER  33          1HB       SER  33  17.041   2.974  -4.855
  245    HG   SER  33           HG       SER  33  15.898   2.701  -6.608
  246    H    GLY  34           H        GLY  34  19.412   4.373  -4.333
  247   1HA   GLY  34          2HA       GLY  34  20.842   6.142  -5.436
  248   2HA   GLY  34          1HA       GLY  34  19.674   6.059  -6.744
  249    H    ALA  35           H        ALA  35  17.314   5.888  -5.273
  250    HA   ALA  35           HA       ALA  35  17.144   8.627  -4.261
  251   1HB   ALA  35          1HB       ALA  35  14.925   8.637  -4.868
  252   2HB   ALA  35          2HB       ALA  35  14.746   6.896  -4.657
  253   3HB   ALA  35          3HB       ALA  35  15.597   7.529  -6.066
  254    HA   PRO  36           HA       PRO  36  16.644   7.467  -0.028
  255   1HB   PRO  36          2HB       PRO  36  14.880   9.343   0.848
  256   2HB   PRO  36          1HB       PRO  36  16.572   9.704   0.486
  257   1HG   PRO  36          2HG       PRO  36  14.140  10.149  -1.199
  258   2HG   PRO  36          1HG       PRO  36  15.521  11.226  -0.921
  259   1HD   PRO  36          2HD       PRO  36  15.277   9.732  -3.161
  260   2HD   PRO  36          1HD       PRO  36  16.853  10.116  -2.442
  261    HA   PRO  37           HA       PRO  37  13.070   4.943   0.567
  262   1HB   PRO  37          2HB       PRO  37  12.602   5.166   3.241
  263   2HB   PRO  37          1HB       PRO  37  13.943   4.238   2.566
  264   1HG   PRO  37          2HG       PRO  37  13.941   7.002   3.707
  265   2HG   PRO  37          1HG       PRO  37  15.120   5.696   3.939
  266   1HD   PRO  37          2HD       PRO  37  15.545   7.750   2.232
  267   2HD   PRO  37          1HD       PRO  37  16.163   6.113   1.924
  268    HA   PRO  38           HA       PRO  38   9.554   7.674   0.292
  269   1HB   PRO  38          2HB       PRO  38   7.620   5.777   0.150
  270   2HB   PRO  38          1HB       PRO  38   8.686   6.161  -1.206
  271   1HG   PRO  38          2HG       PRO  38   8.848   3.914   0.757
  272   2HG   PRO  38          1HG       PRO  38   9.107   3.889  -0.995
  273   1HD   PRO  38          2HD       PRO  38  11.147   3.931   0.791
  274   2HD   PRO  38          1HD       PRO  38  11.259   4.678  -0.815
  275    H    SER  39           H        SER  39   8.465   8.729   1.830
  276    HA   SER  39           HA       SER  39   7.380   9.243   3.757
  277   1HB   SER  39          2HB       SER  39   6.358   6.750   3.029
  278   2HB   SER  39          1HB       SER  39   6.774   6.570   4.733
  279    HG   SER  39           HG       SER  39   5.367   8.138   5.259
  Start of MODEL   23
    1   1H    HIS   1          1HT       HIS   1 -18.961  17.341  15.578
    2   2H    HIS   1          2HT       HIS   1 -19.478  16.702  14.071
    3   3H    HIS   1          3HT       HIS   1 -17.815  17.026  14.340
    4    HA   HIS   1           HA       HIS   1 -18.262  14.702  14.469
    5   1HB   HIS   1          2HB       HIS   1 -17.350  16.314  16.801
    6   2HB   HIS   1          1HB       HIS   1 -17.571  14.587  17.057
    7    HD1  HIS   1           1HD      HIS   1 -14.795  16.159  17.042
    8    HD2  HIS   1           2HD      HIS   1 -16.335  13.833  13.960
    9    HE1  HIS   1           1HE      HIS   1 -12.805  15.440  15.682
   10    HE2  HIS   1           2HE      HIS   1 -13.754  13.969  13.869
   11    H    GLY   2           H        GLY   2 -19.470  12.990  15.193
   12   1HA   GLY   2          2HA       GLY   2 -21.152  12.842  17.372
   13   2HA   GLY   2          1HA       GLY   2 -22.124  13.553  16.092
   14    H    GLU   3           H        GLU   3 -21.496  12.249  13.868
   15    HA   GLU   3           HA       GLU   3 -21.687   9.377  14.450
   16   1HB   GLU   3          2HB       GLU   3 -23.437   9.263  12.589
   17   2HB   GLU   3          1HB       GLU   3 -23.959   9.905  14.140
   18   1HG   GLU   3          2HG       GLU   3 -22.999  11.854  12.130
   19   2HG   GLU   3          1HG       GLU   3 -24.543  11.064  11.819
   20    H    GLY   4           H        GLY   4 -19.699   8.854  13.659
   21   1HA   GLY   4          2HA       GLY   4 -19.403   8.634  10.839
   22   2HA   GLY   4          1HA       GLY   4 -18.397   9.933  11.461
   23    H    THR   5           H        THR   5 -16.850   9.372  13.179
   24    HA   THR   5           HA       THR   5 -15.063   8.180  13.918
   25    HB   THR   5           HB       THR   5 -16.689   5.662  13.624
   26    HG1  THR   5           1HG      THR   5 -17.005   7.683  15.589
   27   1HG2  THR   5          1HG2      THR   5 -15.014   4.820  14.798
   28   2HG2  THR   5          2HG2      THR   5 -15.565   5.805  16.154
   29   3HG2  THR   5          3HG2      THR   5 -14.312   6.414  15.070
   30    H    PHE   6           H        PHE   6 -15.011   8.755  11.226
   31    HA   PHE   6           HA       PHE   6 -14.303   6.389   9.723
   32   1HB   PHE   6          2HB       PHE   6 -13.929   7.884   7.866
   33   2HB   PHE   6          1HB       PHE   6 -15.424   8.347   8.667
   34    HD1  PHE   6           1HD      PHE   6 -11.942   9.290   8.016
   35    HD2  PHE   6           2HD      PHE   6 -15.624  10.456   9.805
   36    HE1  PHE   6           1HE      PHE   6 -11.107  11.592   8.223
   37    HE2  PHE   6           2HE      PHE   6 -14.795  12.761  10.018
   38    HZ   PHE   6           HZ       PHE   6 -12.534  13.334   9.226
   39    H    THR   7           H        THR   7 -12.657   8.851  11.551
   40    HA   THR   7           HA       THR   7 -10.103   8.807  10.532
   41    HB   THR   7           HB       THR   7 -10.733   8.863  13.484
   42    HG1  THR   7           1HG      THR   7 -10.953  10.918  11.544
   43   1HG2  THR   7          1HG2      THR   7  -8.380   9.535  11.896
   44   2HG2  THR   7          2HG2      THR   7  -8.534   9.192  13.619
   45   3HG2  THR   7          3HG2      THR   7  -8.891  10.807  13.006
   46    H    SER   8           H        SER   8 -11.654   6.392  12.569
   47    HA   SER   8           HA       SER   8  -9.433   4.930  13.385
   48   1HB   SER   8          2HB       SER   8 -10.974   3.027  13.643
   49   2HB   SER   8          1HB       SER   8 -11.692   4.517  14.253
   50    HG   SER   8           HG       SER   8 -13.072   4.557  12.589
   51    H    ASP   9           H        ASP   9 -11.270   4.744  10.375
   52    HA   ASP   9           HA       ASP   9  -9.648   2.591   9.329
   53   1HB   ASP   9          2HB       ASP   9 -11.777   4.298   8.014
   54   2HB   ASP   9          1HB       ASP   9 -10.998   2.910   7.264
   55    H    LEU  10           H        LEU  10  -9.884   6.081   8.998
   56    HA   LEU  10           HA       LEU  10  -8.261   6.436   6.740
   57   1HB   LEU  10          2HB       LEU  10  -9.550   8.075   8.660
   58   2HB   LEU  10          1HB       LEU  10  -7.877   8.588   8.591
   59    HG   LEU  10           HG       LEU  10  -9.162   9.927   7.070
   60   1HD1  LEU  10          1HD1      LEU  10  -7.622   7.913   5.446
   61   2HD1  LEU  10          2HD1      LEU  10  -6.885   9.209   6.387
   62   3HD1  LEU  10          3HD1      LEU  10  -7.947   9.596   5.035
   63   1HD2  LEU  10          1HD2      LEU  10 -10.391   7.353   6.406
   64   2HD2  LEU  10          2HD2      LEU  10 -10.047   8.378   5.013
   65   3HD2  LEU  10          3HD2      LEU  10 -11.054   8.984   6.328
   66    H    SER  11           H        SER  11  -7.430   6.269  10.188
   67    HA   SER  11           HA       SER  11  -4.706   6.904   9.946
   68   1HB   SER  11          2HB       SER  11  -4.475   5.736  12.162
   69   2HB   SER  11          1HB       SER  11  -5.743   6.961  12.116
   70    HG   SER  11           HG       SER  11  -6.306   4.871  13.089
   71    H    LYS  12           H        LYS  12  -6.390   3.801   9.770
   72    HA   LYS  12           HA       LYS  12  -4.001   2.244   9.553
   73   1HB   LYS  12          2HB       LYS  12  -6.735   1.724   9.942
   74   2HB   LYS  12          1HB       LYS  12  -6.317   0.937   8.426
   75   1HG   LYS  12          2HG       LYS  12  -4.373  -0.110   9.659
   76   2HG   LYS  12          1HG       LYS  12  -5.124   0.479  11.143
   77   1HD   LYS  12          2HD       LYS  12  -6.029  -1.624  11.033
   78   2HD   LYS  12          1HD       LYS  12  -7.250  -0.712  10.145
   79   1HE   LYS  12          2HE       LYS  12  -6.250  -1.375   8.036
   80   2HE   LYS  12          1HE       LYS  12  -4.955  -2.215   8.888
   81   1HZ   LYS  12          1HZ       LYS  12  -6.503  -3.848   8.256
   82   2HZ   LYS  12          2HZ       LYS  12  -7.826  -2.936   8.783
   83   3HZ   LYS  12          3HZ       LYS  12  -6.763  -3.610   9.913
   84    H    GLN  13           H        GLN  13  -6.334   3.570   7.244
   85    HA   GLN  13           HA       GLN  13  -5.317   2.298   4.942
   86   1HB   GLN  13          2HB       GLN  13  -7.456   3.948   5.501
   87   2HB   GLN  13          1HB       GLN  13  -6.446   4.957   4.476
   88   1HG   GLN  13          2HG       GLN  13  -7.853   3.894   2.981
   89   2HG   GLN  13          1HG       GLN  13  -6.372   2.942   2.896
   90   1HE2  GLN  13          1HE2      GLN  13  -9.011   2.105   2.156
   91   2HE2  GLN  13          2HE2      GLN  13  -9.423   0.767   3.168
   92    H    MET  14           H        MET  14  -4.616   5.472   6.383
   93    HA   MET  14           HA       MET  14  -2.880   6.422   4.399
   94   1HB   MET  14          2HB       MET  14  -3.186   7.006   7.329
   95   2HB   MET  14          1HB       MET  14  -1.874   7.735   6.413
   96   1HG   MET  14          2HG       MET  14  -3.801   8.426   4.785
   97   2HG   MET  14          1HG       MET  14  -4.808   8.185   6.212
   98   1HE   MET  14          1HE       MET  14  -2.512  11.295   4.620
   99   2HE   MET  14          2HE       MET  14  -4.067  11.911   5.178
  100   3HE   MET  14          3HE       MET  14  -3.998  10.437   4.213
  101    H    GLU  15           H        GLU  15  -2.239   4.494   7.308
  102    HA   GLU  15           HA       GLU  15   0.578   4.407   7.011
  103   1HB   GLU  15          2HB       GLU  15  -1.414   2.764   8.547
  104   2HB   GLU  15          1HB       GLU  15   0.278   2.290   8.491
  105   1HG   GLU  15          2HG       GLU  15  -0.636   5.013   9.377
  106   2HG   GLU  15          1HG       GLU  15  -0.428   3.655  10.480
  107    H    GLU  16           H        GLU  16  -2.032   2.245   5.972
  108    HA   GLU  16           HA       GLU  16  -0.490   0.140   4.975
  109   1HB   GLU  16          2HB       GLU  16  -3.106   0.477   5.237
  110   2HB   GLU  16          1HB       GLU  16  -2.988   0.939   3.545
  111   1HG   GLU  16          2HG       GLU  16  -3.323  -1.255   3.215
  112   2HG   GLU  16          1HG       GLU  16  -1.583  -1.343   3.486
  113    H    GLU  17           H        GLU  17  -1.627   3.097   3.362
  114    HA   GLU  17           HA       GLU  17  -0.644   2.516   0.797
  115   1HB   GLU  17          2HB       GLU  17  -2.260   4.373   1.522
  116   2HB   GLU  17          1HB       GLU  17  -0.824   5.296   1.941
  117   1HG   GLU  17          2HG       GLU  17  -0.567   4.222  -0.707
  118   2HG   GLU  17          1HG       GLU  17  -2.082   5.108  -0.550
  119    H    ALA  18           H        ALA  18   0.857   4.080   3.582
  120    HA   ALA  18           HA       ALA  18   3.233   4.911   2.295
  121   1HB   ALA  18          1HB       ALA  18   2.376   5.724   4.514
  122   2HB   ALA  18          2HB       ALA  18   4.096   5.339   4.467
  123   3HB   ALA  18          3HB       ALA  18   2.961   4.214   5.211
  124    H    VAL  19           H        VAL  19   2.309   1.903   3.906
  125    HA   VAL  19           HA       VAL  19   4.860   0.704   4.003
  126    HB   VAL  19           HB       VAL  19   2.199  -0.709   3.713
  127   1HG1  VAL  19          1HG1      VAL  19   3.311  -2.624   3.870
  128   2HG1  VAL  19          2HG1      VAL  19   4.140  -2.073   5.324
  129   3HG1  VAL  19          3HG1      VAL  19   4.818  -1.719   3.736
  130   1HG2  VAL  19          1HG2      VAL  19   3.034  -0.832   6.371
  131   2HG2  VAL  19          2HG2      VAL  19   1.688   0.100   5.720
  132   3HG2  VAL  19          3HG2      VAL  19   3.276   0.846   5.890
  133    H    ARG  20           H        ARG  20   2.286   0.586   1.552
  134    HA   ARG  20           HA       ARG  20   3.506  -1.230  -0.199
  135   1HB   ARG  20          2HB       ARG  20   1.290   0.687  -0.309
  136   2HB   ARG  20          1HB       ARG  20   2.075   0.436  -1.863
  137   1HG   ARG  20          2HG       ARG  20   1.004  -1.762  -0.108
  138   2HG   ARG  20          1HG       ARG  20   0.152  -1.060  -1.484
  139   1HD   ARG  20          2HD       ARG  20   2.043  -1.738  -2.938
  140   2HD   ARG  20          1HD       ARG  20   2.784  -2.532  -1.550
  141    HE   ARG  20           HE       ARG  20   1.219  -4.226  -1.695
  142   1HH1  ARG  20          1HH1      ARG  20   0.400  -1.662  -3.939
  143   2HH1  ARG  20          2HH1      ARG  20  -0.778  -2.609  -4.778
  144   1HH2  ARG  20          1HH2      ARG  20  -0.337  -5.465  -2.805
  145   2HH2  ARG  20          2HH2      ARG  20  -1.199  -4.768  -4.135
  146    H    LEU  21           H        LEU  21   3.764   2.302   0.019
  147    HA   LEU  21           HA       LEU  21   5.343   2.661  -2.301
  148   1HB   LEU  21          2HB       LEU  21   4.072   4.416  -0.915
  149   2HB   LEU  21          1HB       LEU  21   5.465   4.411   0.147
  150    HG   LEU  21           HG       LEU  21   6.882   5.063  -1.813
  151   1HD1  LEU  21          1HD1      LEU  21   5.841   5.874  -3.821
  152   2HD1  LEU  21          2HD1      LEU  21   4.234   5.539  -3.174
  153   3HD1  LEU  21          3HD1      LEU  21   5.330   4.208  -3.550
  154   1HD2  LEU  21          1HD2      LEU  21   5.820   6.649  -0.117
  155   2HD2  LEU  21          2HD2      LEU  21   4.656   7.035  -1.385
  156   3HD2  LEU  21          3HD2      LEU  21   6.373   7.347  -1.639
  157    H    PHE  22           H        PHE  22   6.160   2.210   1.120
  158    HA   PHE  22           HA       PHE  22   8.957   2.437   0.860
  159   1HB   PHE  22          2HB       PHE  22   7.970   2.608   3.037
  160   2HB   PHE  22          1HB       PHE  22   7.210   1.029   2.886
  161    HD1  PHE  22           1HD      PHE  22   8.167  -0.716   4.000
  162    HD2  PHE  22           2HD      PHE  22  10.626   2.540   2.789
  163    HE1  PHE  22           1HE      PHE  22  10.094  -1.755   5.126
  164    HE2  PHE  22           2HE      PHE  22  12.555   1.508   3.911
  165    HZ   PHE  22           HZ       PHE  22  12.290  -0.642   5.083
  166    H    ILE  23           H        ILE  23   6.757  -0.334   0.673
  167    HA   ILE  23           HA       ILE  23   8.685  -2.367   0.445
  168    HB   ILE  23           HB       ILE  23   5.837  -2.198  -0.538
  169   1HG1  ILE  23          2HG1      ILE  23   6.904  -3.990   1.624
  170   2HG1  ILE  23          1HG1      ILE  23   6.529  -2.304   1.968
  171   1HG2  ILE  23          1HG2      ILE  23   6.926  -3.747  -2.005
  172   2HG2  ILE  23          2HG2      ILE  23   5.964  -4.663  -0.847
  173   3HG2  ILE  23          3HG2      ILE  23   7.714  -4.553  -0.649
  174   1HD1  ILE  23          1HD1      ILE  23   4.521  -4.133   0.708
  175   2HD1  ILE  23          2HD1      ILE  23   4.254  -2.609   1.554
  176   3HD1  ILE  23          3HD1      ILE  23   4.741  -4.046   2.455
  177    H    GLU  24           H        GLU  24   7.014  -0.424  -2.021
  178    HA   GLU  24           HA       GLU  24   8.094  -1.670  -4.290
  179   1HB   GLU  24          2HB       GLU  24   6.178  -0.088  -4.311
  180   2HB   GLU  24          1HB       GLU  24   7.292   1.230  -3.975
  181   1HG   GLU  24          2HG       GLU  24   8.216   1.167  -6.082
  182   2HG   GLU  24          1HG       GLU  24   7.741  -0.509  -6.356
  183    H    TRP  25           H        TRP  25   9.272   1.016  -2.313
  184    HA   TRP  25           HA       TRP  25  11.483   1.718  -3.916
  185   1HB   TRP  25          2HB       TRP  25  10.720   3.260  -2.251
  186   2HB   TRP  25          1HB       TRP  25  10.920   2.073  -0.968
  187    HD1  TRP  25           HD       TRP  25  13.152   4.061  -3.446
  188    HE1  TRP  25           1HE      TRP  25  15.391   4.545  -2.277
  189    HE3  TRP  25           3HE      TRP  25  12.348   1.530   0.921
  190    HZ2  TRP  25           2HZ      TRP  25  16.651   3.939   0.179
  191    HZ3  TRP  25           3HZ      TRP  25  14.119   1.534   2.629
  192    HH2  TRP  25           HH       TRP  25  16.225   2.711   2.264
  193    H    LEU  26           H        LEU  26  11.073  -0.667  -1.338
  194    HA   LEU  26           HA       LEU  26  13.840  -1.337  -1.148
  195   1HB   LEU  26          2HB       LEU  26  11.327  -2.740  -0.264
  196   2HB   LEU  26          1HB       LEU  26  12.925  -3.415   0.001
  197    HG   LEU  26           HG       LEU  26  11.866  -0.819   1.125
  198   1HD1  LEU  26          1HD1      LEU  26  12.242  -3.572   2.191
  199   2HD1  LEU  26          2HD1      LEU  26  10.939  -2.419   2.473
  200   3HD1  LEU  26          3HD1      LEU  26  12.495  -2.199   3.270
  201   1HD2  LEU  26          1HD2      LEU  26  14.252  -0.659   0.552
  202   2HD2  LEU  26          2HD2      LEU  26  14.568  -2.106   1.510
  203   3HD2  LEU  26          3HD2      LEU  26  13.986  -0.639   2.297
  204    H    LYS  27           H        LYS  27  11.147  -2.460  -3.089
  205    HA   LYS  27           HA       LYS  27  12.302  -4.842  -4.067
  206   1HB   LYS  27          2HB       LYS  27  10.172  -3.026  -5.200
  207   2HB   LYS  27          1HB       LYS  27  10.625  -4.557  -5.938
  208   1HG   LYS  27          2HG       LYS  27   9.906  -4.606  -3.066
  209   2HG   LYS  27          1HG       LYS  27   8.606  -4.322  -4.225
  210   1HD   LYS  27          2HD       LYS  27   9.618  -6.370  -5.465
  211   2HD   LYS  27          1HD       LYS  27  10.376  -6.714  -3.909
  212   1HE   LYS  27          2HE       LYS  27   8.123  -6.629  -2.861
  213   2HE   LYS  27          1HE       LYS  27   7.425  -6.440  -4.470
  214   1HZ   LYS  27          1HZ       LYS  27   8.506  -8.585  -5.060
  215   2HZ   LYS  27          2HZ       LYS  27   7.305  -8.723  -3.878
  216   3HZ   LYS  27          3HZ       LYS  27   8.935  -8.775  -3.434
  217    H    ASN  28           H        ASN  28  12.458  -1.482  -5.192
  218    HA   ASN  28           HA       ASN  28  13.824  -2.141  -7.624
  219   1HB   ASN  28          2HB       ASN  28  14.033   0.236  -7.974
  220   2HB   ASN  28          1HB       ASN  28  12.416  -0.105  -7.369
  221   1HD2  ASN  28          1HD2      ASN  28  11.871   1.698  -6.329
  222   2HD2  ASN  28          2HD2      ASN  28  12.790   2.437  -5.067
  223    H    GLY  29           H        GLY  29  14.866  -2.043  -4.416
  224   1HA   GLY  29          2HA       GLY  29  17.302  -2.892  -4.441
  225   2HA   GLY  29          1HA       GLY  29  17.618  -1.325  -5.166
  226    H    GLY  30           H        GLY  30  15.352  -0.272  -3.315
  227   1HA   GLY  30          2HA       GLY  30  15.173   0.676  -1.239
  228   2HA   GLY  30          1HA       GLY  30  16.282  -0.555  -0.655
  229    HA   PRO  31           HA       PRO  31  18.741   3.182   0.051
  230   1HB   PRO  31          2HB       PRO  31  20.583   1.209   1.253
  231   2HB   PRO  31          1HB       PRO  31  19.873   2.663   1.962
  232   1HG   PRO  31          2HG       PRO  31  19.054   0.223   2.689
  233   2HG   PRO  31          1HG       PRO  31  17.919   1.579   2.556
  234   1HD   PRO  31          2HD       PRO  31  18.403  -0.680   0.650
  235   2HD   PRO  31          1HD       PRO  31  16.870   0.066   1.148
  236    H    SER  32           H        SER  32  19.808   0.124  -1.357
  237    HA   SER  32           HA       SER  32  22.139   1.431  -2.546
  238   1HB   SER  32          2HB       SER  32  21.926  -1.019  -1.427
  239   2HB   SER  32          1HB       SER  32  21.617  -1.431  -3.112
  240    HG   SER  32           HG       SER  32  23.610  -0.786  -3.654
  241    H    SER  33           H        SER  33  19.458   2.110  -3.480
  242    HA   SER  33           HA       SER  33  19.507   0.987  -6.197
  243   1HB   SER  33          2HB       SER  33  17.373   0.784  -4.898
  244   2HB   SER  33          1HB       SER  33  17.263   2.543  -4.897
  245    HG   SER  33           HG       SER  33  16.676   0.768  -6.874
  246    H    GLY  34           H        GLY  34  19.621   3.989  -4.357
  247   1HA   GLY  34          2HA       GLY  34  21.157   5.620  -5.580
  248   2HA   GLY  34          1HA       GLY  34  19.975   5.489  -6.872
  249    H    ALA  35           H        ALA  35  17.616   5.533  -5.452
  250    HA   ALA  35           HA       ALA  35  17.556   8.324  -4.583
  251   1HB   ALA  35          1HB       ALA  35  15.947   7.920  -6.236
  252   2HB   ALA  35          2HB       ALA  35  15.033   7.933  -4.727
  253   3HB   ALA  35          3HB       ALA  35  15.440   6.402  -5.497
  254    HA   PRO  36           HA       PRO  36  16.971   7.390  -0.304
  255   1HB   PRO  36          2HB       PRO  36  15.349   9.418   0.482
  256   2HB   PRO  36          1HB       PRO  36  17.054   9.653   0.088
  257   1HG   PRO  36          2HG       PRO  36  14.634  10.164  -1.597
  258   2HG   PRO  36          1HG       PRO  36  16.080  11.168  -1.385
  259   1HD   PRO  36          2HD       PRO  36  15.717   9.573  -3.542
  260   2HD   PRO  36          1HD       PRO  36  17.322   9.911  -2.864
  261    HA   PRO  37           HA       PRO  37  13.246   5.128   0.412
  262   1HB   PRO  37          2HB       PRO  37  12.748   5.570   3.052
  263   2HB   PRO  37          1HB       PRO  37  14.045   4.520   2.472
  264   1HG   PRO  37          2HG       PRO  37  14.184   7.367   3.393
  265   2HG   PRO  37          1HG       PRO  37  15.270   6.016   3.769
  266   1HD   PRO  37          2HD       PRO  37  15.892   7.868   1.918
  267   2HD   PRO  37          1HD       PRO  37  16.370   6.167   1.742
  268    HA   PRO  38           HA       PRO  38   9.830   7.951   0.096
  269   1HB   PRO  38          2HB       PRO  38   7.823   6.189  -0.029
  270   2HB   PRO  38          1HB       PRO  38   9.024   6.300  -1.321
  271   1HG   PRO  38          2HG       PRO  38   8.804   4.318   0.904
  272   2HG   PRO  38          1HG       PRO  38   9.226   4.050  -0.796
  273   1HD   PRO  38          2HD       PRO  38  11.055   4.243   1.266
  274   2HD   PRO  38          1HD       PRO  38  11.422   4.541  -0.443
  275    H    SER  39           H        SER  39   7.448   8.029   1.075
  276    HA   SER  39           HA       SER  39   7.788   8.384   3.911
  277   1HB   SER  39          2HB       SER  39   5.244   8.708   2.306
  278   2HB   SER  39          1HB       SER  39   5.618   9.423   3.873
  279    HG   SER  39           HG       SER  39   7.055  10.783   2.914
  Start of MODEL   24
    1   1H    HIS   1          1HT       HIS   1 -20.364  16.634  -3.145
    2   2H    HIS   1          2HT       HIS   1 -20.065  18.088  -4.004
    3   3H    HIS   1          3HT       HIS   1 -20.628  18.148  -2.384
    4    HA   HIS   1           HA       HIS   1 -18.034  17.101  -3.308
    5   1HB   HIS   1          2HB       HIS   1 -18.656  19.671  -3.217
    6   2HB   HIS   1          1HB       HIS   1 -18.417  19.449  -1.487
    7    HD1  HIS   1           1HD      HIS   1 -16.599  21.134  -3.555
    8    HD2  HIS   1           2HD      HIS   1 -15.730  17.433  -1.874
    9    HE1  HIS   1           1HE      HIS   1 -14.094  20.924  -3.645
   10    HE2  HIS   1           2HE      HIS   1 -13.600  18.640  -2.703
   11    H    GLY   2           H        GLY   2 -17.144  15.667  -1.972
   12   1HA   GLY   2          2HA       GLY   2 -17.592  15.831   0.899
   13   2HA   GLY   2          1HA       GLY   2 -18.209  14.381   0.119
   14    H    GLU   3           H        GLU   3 -15.257  16.313   0.518
   15    HA   GLU   3           HA       GLU   3 -13.681  13.845   0.201
   16   1HB   GLU   3          2HB       GLU   3 -13.412  16.289  -1.088
   17   2HB   GLU   3          1HB       GLU   3 -12.161  16.331   0.149
   18   1HG   GLU   3          2HG       GLU   3 -11.291  14.191  -0.676
   19   2HG   GLU   3          1HG       GLU   3 -12.525  14.191  -1.937
   20    H    GLY   4           H        GLY   4 -12.366  13.162   1.812
   21   1HA   GLY   4          2HA       GLY   4 -11.242  13.131   3.826
   22   2HA   GLY   4          1HA       GLY   4 -11.468  14.870   3.928
   23    H    THR   5           H        THR   5 -13.448  11.904   4.078
   24    HA   THR   5           HA       THR   5 -14.613  12.876   6.583
   25    HB   THR   5           HB       THR   5 -16.878  12.082   5.751
   26    HG1  THR   5           1HG      THR   5 -15.638  12.321   3.209
   27   1HG2  THR   5          1HG2      THR   5 -17.494  14.139   5.035
   28   2HG2  THR   5          2HG2      THR   5 -16.103  14.311   3.966
   29   3HG2  THR   5          3HG2      THR   5 -15.912  14.545   5.702
   30    H    PHE   6           H        PHE   6 -12.928  11.186   7.150
   31    HA   PHE   6           HA       PHE   6 -14.278   8.607   7.436
   32   1HB   PHE   6          2HB       PHE   6 -11.378   8.784   6.617
   33   2HB   PHE   6          1HB       PHE   6 -12.352   7.329   6.782
   34    HD1  PHE   6           1HD      PHE   6 -11.479  10.140   4.658
   35    HD2  PHE   6           2HD      PHE   6 -14.052   6.780   5.104
   36    HE1  PHE   6           1HE      PHE   6 -12.061  10.276   2.273
   37    HE2  PHE   6           2HE      PHE   6 -14.642   6.909   2.719
   38    HZ   PHE   6           HZ       PHE   6 -13.645   8.659   1.299
   39    H    THR   7           H        THR   7 -11.165  10.130   8.201
   40    HA   THR   7           HA       THR   7 -10.098  10.584  10.145
   41    HB   THR   7           HB       THR   7 -12.700   9.735  11.406
   42    HG1  THR   7           1HG      THR   7 -11.558  12.274  10.889
   43   1HG2  THR   7          1HG2      THR   7 -11.997  10.594  13.477
   44   2HG2  THR   7          2HG2      THR   7 -10.521  11.266  12.782
   45   3HG2  THR   7          3HG2      THR   7 -10.707   9.519  12.938
   46    H    SER   8           H        SER   8 -12.062   7.656  10.590
   47    HA   SER   8           HA       SER   8  -9.836   6.292  11.850
   48   1HB   SER   8          2HB       SER   8 -11.497   4.394  12.047
   49   2HB   SER   8          1HB       SER   8 -11.967   5.886  12.861
   50    HG   SER   8           HG       SER   8 -13.039   4.677  10.586
   51    H    ASP   9           H        ASP   9 -11.742   6.060   8.882
   52    HA   ASP   9           HA       ASP   9 -10.307   3.779   7.893
   53   1HB   ASP   9          2HB       ASP   9 -12.533   5.476   6.974
   54   2HB   ASP   9          1HB       ASP   9 -11.520   4.835   5.685
   55    H    LEU  10           H        LEU  10 -10.096   7.267   7.491
   56    HA   LEU  10           HA       LEU  10  -8.320   7.274   5.290
   57   1HB   LEU  10          2HB       LEU  10  -9.720   9.202   6.339
   58   2HB   LEU  10          1HB       LEU  10  -8.326   9.424   7.378
   59    HG   LEU  10           HG       LEU  10  -7.823   9.321   4.453
   60   1HD1  LEU  10          1HD1      LEU  10  -9.316  11.523   5.835
   61   2HD1  LEU  10          2HD1      LEU  10  -9.672  10.735   4.297
   62   3HD1  LEU  10          3HD1      LEU  10  -8.300  11.836   4.426
   63   1HD2  LEU  10          1HD2      LEU  10  -6.584  10.371   6.892
   64   2HD2  LEU  10          2HD2      LEU  10  -6.494  11.454   5.502
   65   3HD2  LEU  10          3HD2      LEU  10  -5.848   9.817   5.389
   66    H    SER  11           H        SER  11  -7.767   7.428   8.802
   67    HA   SER  11           HA       SER  11  -4.966   7.681   8.694
   68   1HB   SER  11          2HB       SER  11  -5.005   6.895  11.050
   69   2HB   SER  11          1HB       SER  11  -6.193   8.162  10.742
   70    HG   SER  11           HG       SER  11  -7.777   6.771  11.043
   71    H    LYS  12           H        LYS  12  -7.076   4.856   8.722
   72    HA   LYS  12           HA       LYS  12  -5.014   2.920   8.995
   73   1HB   LYS  12          2HB       LYS  12  -7.873   2.936   8.719
   74   2HB   LYS  12          1HB       LYS  12  -7.190   1.761   7.603
   75   1HG   LYS  12          2HG       LYS  12  -6.202   0.526   9.334
   76   2HG   LYS  12          1HG       LYS  12  -6.416   1.833  10.500
   77   1HD   LYS  12          2HD       LYS  12  -8.870   0.776   9.229
   78   2HD   LYS  12          1HD       LYS  12  -8.043  -0.295  10.361
   79   1HE   LYS  12          2HE       LYS  12  -8.669   0.916  12.136
   80   2HE   LYS  12          1HE       LYS  12  -8.298   2.443  11.338
   81   1HZ   LYS  12          1HZ       LYS  12 -10.737   0.871  10.732
   82   2HZ   LYS  12          2HZ       LYS  12 -10.404   2.474  10.309
   83   3HZ   LYS  12          3HZ       LYS  12 -10.692   2.069  11.926
   84    H    GLN  13           H        GLN  13  -6.709   4.295   6.192
   85    HA   GLN  13           HA       GLN  13  -5.479   2.669   4.236
   86   1HB   GLN  13          2HB       GLN  13  -7.144   5.095   4.270
   87   2HB   GLN  13          1HB       GLN  13  -6.060   4.982   2.891
   88   1HG   GLN  13          2HG       GLN  13  -7.770   2.654   3.645
   89   2HG   GLN  13          1HG       GLN  13  -8.451   4.003   2.737
   90   1HE2  GLN  13          1HE2      GLN  13  -7.774   4.371   0.624
   91   2HE2  GLN  13          2HE2      GLN  13  -6.890   3.193  -0.278
   92    H    MET  14           H        MET  14  -4.647   5.870   5.528
   93    HA   MET  14           HA       MET  14  -2.490   6.418   3.817
   94   1HB   MET  14          2HB       MET  14  -3.140   7.332   6.615
   95   2HB   MET  14          1HB       MET  14  -1.708   7.892   5.762
   96   1HG   MET  14          2HG       MET  14  -4.513   8.192   4.722
   97   2HG   MET  14          1HG       MET  14  -3.658   9.428   5.642
   98   1HE   MET  14          1HE       MET  14  -4.636  10.613   2.936
   99   2HE   MET  14          2HE       MET  14  -4.979   8.924   2.564
  100   3HE   MET  14          3HE       MET  14  -3.962   9.876   1.483
  101    H    GLU  15           H        GLU  15  -2.664   4.646   6.870
  102    HA   GLU  15           HA       GLU  15   0.092   4.323   7.307
  103   1HB   GLU  15          2HB       GLU  15  -2.299   3.468   8.536
  104   2HB   GLU  15          1HB       GLU  15  -1.377   2.011   8.197
  105   1HG   GLU  15          2HG       GLU  15  -0.163   4.383   9.574
  106   2HG   GLU  15          1HG       GLU  15  -1.022   3.119  10.452
  107    H    GLU  16           H        GLU  16  -2.254   2.275   5.585
  108    HA   GLU  16           HA       GLU  16  -0.392   0.240   4.905
  109   1HB   GLU  16          2HB       GLU  16  -3.189   0.855   4.357
  110   2HB   GLU  16          1HB       GLU  16  -2.378   0.153   2.964
  111   1HG   GLU  16          2HG       GLU  16  -2.152  -1.103   5.670
  112   2HG   GLU  16          1HG       GLU  16  -3.545  -1.407   4.634
  113    H    GLU  17           H        GLU  17  -1.427   3.214   3.321
  114    HA   GLU  17           HA       GLU  17  -0.334   2.768   0.783
  115   1HB   GLU  17          2HB       GLU  17  -1.812   4.739   1.848
  116   2HB   GLU  17          1HB       GLU  17  -0.241   5.525   1.878
  117   1HG   GLU  17          2HG       GLU  17  -0.571   6.101  -0.229
  118   2HG   GLU  17          1HG       GLU  17  -0.433   4.398  -0.662
  119    H    ALA  18           H        ALA  18   1.094   4.218   3.681
  120    HA   ALA  18           HA       ALA  18   3.565   4.942   2.543
  121   1HB   ALA  18          1HB       ALA  18   4.296   4.645   5.068
  122   2HB   ALA  18          2HB       ALA  18   2.551   4.563   5.310
  123   3HB   ALA  18          3HB       ALA  18   3.270   5.982   4.548
  124    H    VAL  19           H        VAL  19   2.510   1.961   4.166
  125    HA   VAL  19           HA       VAL  19   5.015   0.667   4.218
  126    HB   VAL  19           HB       VAL  19   2.316  -0.682   3.966
  127   1HG1  VAL  19          1HG1      VAL  19   4.751  -1.729   5.381
  128   2HG1  VAL  19          2HG1      VAL  19   4.475  -2.020   3.664
  129   3HG1  VAL  19          3HG1      VAL  19   3.315  -2.608   4.855
  130   1HG2  VAL  19          1HG2      VAL  19   3.285   0.990   6.055
  131   2HG2  VAL  19          2HG2      VAL  19   3.242  -0.671   6.648
  132   3HG2  VAL  19          3HG2      VAL  19   1.784   0.068   5.986
  133    H    ARG  20           H        ARG  20   2.424   0.715   1.795
  134    HA   ARG  20           HA       ARG  20   3.507  -1.179   0.029
  135   1HB   ARG  20          2HB       ARG  20   1.448   0.932  -0.094
  136   2HB   ARG  20          1HB       ARG  20   2.168   0.510  -1.641
  137   1HG   ARG  20          2HG       ARG  20   1.494  -1.857  -0.139
  138   2HG   ARG  20          1HG       ARG  20   0.093  -0.801  -0.333
  139   1HD   ARG  20          2HD       ARG  20  -0.139  -1.488  -2.429
  140   2HD   ARG  20          1HD       ARG  20   1.471  -0.879  -2.811
  141    HE   ARG  20           HE       ARG  20   1.734  -3.373  -1.561
  142   1HH1  ARG  20          1HH1      ARG  20   0.557  -2.018  -4.566
  143   2HH1  ARG  20          2HH1      ARG  20   0.885  -3.447  -5.482
  144   1HH2  ARG  20          1HH2      ARG  20   2.164  -5.258  -2.776
  145   2HH2  ARG  20          2HH2      ARG  20   1.796  -5.285  -4.469
  146    H    LEU  21           H        LEU  21   3.941   2.345   0.220
  147    HA   LEU  21           HA       LEU  21   5.541   2.604  -2.092
  148   1HB   LEU  21          2HB       LEU  21   4.852   4.273   0.238
  149   2HB   LEU  21          1HB       LEU  21   6.406   4.635  -0.486
  150    HG   LEU  21           HG       LEU  21   5.046   4.695  -2.721
  151   1HD1  LEU  21          1HD1      LEU  21   2.889   5.277  -0.696
  152   2HD1  LEU  21          2HD1      LEU  21   2.962   3.856  -1.738
  153   3HD1  LEU  21          3HD1      LEU  21   2.760   5.457  -2.446
  154   1HD2  LEU  21          1HD2      LEU  21   5.273   6.763  -0.583
  155   2HD2  LEU  21          2HD2      LEU  21   4.372   7.133  -2.054
  156   3HD2  LEU  21          3HD2      LEU  21   6.072   6.672  -2.152
  157    H    PHE  22           H        PHE  22   6.354   2.130   1.330
  158    HA   PHE  22           HA       PHE  22   9.158   2.212   1.053
  159   1HB   PHE  22          2HB       PHE  22   8.189   2.419   3.239
  160   2HB   PHE  22          1HB       PHE  22   7.365   0.871   3.087
  161    HD1  PHE  22           1HD      PHE  22   8.260  -0.896   4.215
  162    HD2  PHE  22           2HD      PHE  22  10.843   2.229   2.924
  163    HE1  PHE  22           1HE      PHE  22  10.160  -2.017   5.311
  164    HE2  PHE  22           2HE      PHE  22  12.746   1.116   4.014
  165    HZ   PHE  22           HZ       PHE  22  12.407  -1.010   5.207
  166    H    ILE  23           H        ILE  23   6.829  -0.459   0.891
  167    HA   ILE  23           HA       ILE  23   8.662  -2.573   0.619
  168    HB   ILE  23           HB       ILE  23   5.807  -2.267  -0.310
  169   1HG1  ILE  23          2HG1      ILE  23   6.865  -4.132   1.800
  170   2HG1  ILE  23          1HG1      ILE  23   6.522  -2.447   2.174
  171   1HG2  ILE  23          1HG2      ILE  23   6.344  -4.985  -0.249
  172   2HG2  ILE  23          2HG2      ILE  23   7.733  -4.290  -1.082
  173   3HG2  ILE  23          3HG2      ILE  23   6.103  -3.992  -1.686
  174   1HD1  ILE  23          1HD1      ILE  23   4.549  -4.455   1.114
  175   2HD1  ILE  23          2HD1      ILE  23   4.204  -2.766   1.486
  176   3HD1  ILE  23          3HD1      ILE  23   4.662  -3.878   2.777
  177    H    GLU  24           H        GLU  24   7.024  -0.567  -1.831
  178    HA   GLU  24           HA       GLU  24   8.094  -1.851  -4.096
  179   1HB   GLU  24          2HB       GLU  24   6.161  -0.229  -4.067
  180   2HB   GLU  24          1HB       GLU  24   7.336   1.067  -3.896
  181   1HG   GLU  24          2HG       GLU  24   6.602   0.808  -6.205
  182   2HG   GLU  24          1HG       GLU  24   8.327   0.496  -6.029
  183    H    TRP  25           H        TRP  25   9.259   0.851  -2.137
  184    HA   TRP  25           HA       TRP  25  11.445   1.588  -3.746
  185   1HB   TRP  25          2HB       TRP  25  10.663   3.067  -2.009
  186   2HB   TRP  25          1HB       TRP  25  10.977   1.860  -0.770
  187    HD1  TRP  25           HD       TRP  25  12.964   4.055  -3.273
  188    HE1  TRP  25           1HE      TRP  25  15.251   4.582  -2.216
  189    HE3  TRP  25           3HE      TRP  25  12.552   1.256   0.982
  190    HZ2  TRP  25           2HZ      TRP  25  16.691   3.899   0.114
  191    HZ3  TRP  25           3HZ      TRP  25  14.431   1.245   2.573
  192    HH2  TRP  25           HH       TRP  25  16.456   2.541   2.146
  193    H    LEU  26           H        LEU  26  11.087  -0.864  -1.233
  194    HA   LEU  26           HA       LEU  26  13.866  -1.533  -1.117
  195   1HB   LEU  26          2HB       LEU  26  11.376  -2.956  -0.190
  196   2HB   LEU  26          1HB       LEU  26  12.984  -3.618   0.033
  197    HG   LEU  26           HG       LEU  26  11.985  -1.012   1.185
  198   1HD1  LEU  26          1HD1      LEU  26  12.169  -3.789   2.222
  199   2HD1  LEU  26          2HD1      LEU  26  10.960  -2.542   2.528
  200   3HD1  LEU  26          3HD1      LEU  26  12.533  -2.461   3.324
  201   1HD2  LEU  26          1HD2      LEU  26  14.393  -0.997   0.642
  202   2HD2  LEU  26          2HD2      LEU  26  14.603  -2.443   1.633
  203   3HD2  LEU  26          3HD2      LEU  26  14.086  -0.931   2.379
  204    H    LYS  27           H        LYS  27  11.092  -2.648  -2.966
  205    HA   LYS  27           HA       LYS  27  12.200  -5.014  -4.012
  206   1HB   LYS  27          2HB       LYS  27  10.066  -3.162  -5.074
  207   2HB   LYS  27          1HB       LYS  27  10.487  -4.684  -5.847
  208   1HG   LYS  27          2HG       LYS  27   9.745  -4.650  -2.957
  209   2HG   LYS  27          1HG       LYS  27   8.488  -4.565  -4.192
  210   1HD   LYS  27          2HD       LYS  27   9.278  -6.641  -5.173
  211   2HD   LYS  27          1HD       LYS  27  10.602  -6.712  -4.009
  212   1HE   LYS  27          2HE       LYS  27   7.775  -6.554  -3.048
  213   2HE   LYS  27          1HE       LYS  27   8.425  -8.094  -3.606
  214   1HZ   LYS  27          1HZ       LYS  27   9.861  -6.479  -1.591
  215   2HZ   LYS  27          2HZ       LYS  27   9.992  -8.135  -1.910
  216   3HZ   LYS  27          3HZ       LYS  27   8.614  -7.532  -1.137
  217    H    ASN  28           H        ASN  28  12.388  -1.646  -5.080
  218    HA   ASN  28           HA       ASN  28  13.686  -2.288  -7.555
  219   1HB   ASN  28          2HB       ASN  28  13.887   0.081  -7.894
  220   2HB   ASN  28          1HB       ASN  28  12.301  -0.236  -7.212
  221   1HD2  ASN  28          1HD2      ASN  28  11.810   1.517  -6.091
  222   2HD2  ASN  28          2HD2      ASN  28  12.812   2.259  -4.893
  223    H    GLY  29           H        GLY  29  14.797  -2.320  -4.390
  224   1HA   GLY  29          2HA       GLY  29  17.175  -3.191  -4.374
  225   2HA   GLY  29          1HA       GLY  29  17.559  -1.711  -5.232
  226    H    GLY  30           H        GLY  30  15.285  -0.588  -3.266
  227   1HA   GLY  30          2HA       GLY  30  15.236   0.478  -1.239
  228   2HA   GLY  30          1HA       GLY  30  16.475  -0.641  -0.697
  229    HA   PRO  31           HA       PRO  31  18.735   3.272  -0.416
  230   1HB   PRO  31          2HB       PRO  31  20.825   1.491   0.673
  231   2HB   PRO  31          1HB       PRO  31  20.083   2.923   1.390
  232   1HG   PRO  31          2HG       PRO  31  19.527   0.464   2.289
  233   2HG   PRO  31          1HG       PRO  31  18.293   1.736   2.238
  234   1HD   PRO  31          2HD       PRO  31  18.715  -0.575   0.381
  235   2HD   PRO  31          1HD       PRO  31  17.199   0.110   1.005
  236    H    SER  32           H        SER  32  19.870   0.230  -1.798
  237    HA   SER  32           HA       SER  32  22.058   1.539  -3.193
  238   1HB   SER  32          2HB       SER  32  21.218  -1.262  -2.691
  239   2HB   SER  32          1HB       SER  32  22.070  -0.964  -4.206
  240    HG   SER  32           HG       SER  32  23.843  -0.780  -3.111
  241    H    SER  33           H        SER  33  19.764   2.730  -3.987
  242    HA   SER  33           HA       SER  33  19.542   1.845  -6.773
  243   1HB   SER  33          2HB       SER  33  17.155   2.635  -5.088
  244   2HB   SER  33          1HB       SER  33  17.129   2.154  -6.784
  245    HG   SER  33           HG       SER  33  17.584   0.099  -6.223
  246    H    GLY  34           H        GLY  34  20.633   4.230  -4.968
  247   1HA   GLY  34          2HA       GLY  34  21.034   6.458  -5.316
  248   2HA   GLY  34          1HA       GLY  34  20.513   6.196  -6.973
  249    H    ALA  35           H        ALA  35  18.536   5.708  -4.084
  250    HA   ALA  35           HA       ALA  35  17.124   8.206  -4.456
  251   1HB   ALA  35          1HB       ALA  35  15.118   6.149  -4.478
  252   2HB   ALA  35          2HB       ALA  35  16.219   5.944  -5.841
  253   3HB   ALA  35          3HB       ALA  35  15.374   7.475  -5.612
  254    HA   PRO  36           HA       PRO  36  16.736   7.615  -0.078
  255   1HB   PRO  36          2HB       PRO  36  14.851   9.517   0.427
  256   2HB   PRO  36          1HB       PRO  36  16.552   9.885   0.129
  257   1HG   PRO  36          2HG       PRO  36  14.221  10.038  -1.737
  258   2HG   PRO  36          1HG       PRO  36  15.585  11.156  -1.553
  259   1HD   PRO  36          2HD       PRO  36  15.435   9.336  -3.557
  260   2HD   PRO  36          1HD       PRO  36  16.977   9.870  -2.858
  261    HA   PRO  37           HA       PRO  37  13.220   5.025   0.610
  262   1HB   PRO  37          2HB       PRO  37  12.994   5.157   3.299
  263   2HB   PRO  37          1HB       PRO  37  14.330   4.319   2.504
  264   1HG   PRO  37          2HG       PRO  37  14.262   7.060   3.707
  265   2HG   PRO  37          1HG       PRO  37  15.517   5.814   3.836
  266   1HD   PRO  37          2HD       PRO  37  15.698   7.919   2.124
  267   2HD   PRO  37          1HD       PRO  37  16.423   6.335   1.789
  268    HA   PRO  38           HA       PRO  38   9.705   7.748   0.991
  269   1HB   PRO  38          2HB       PRO  38   7.763   5.956   0.589
  270   2HB   PRO  38          1HB       PRO  38   8.899   6.375  -0.700
  271   1HG   PRO  38          2HG       PRO  38   8.824   3.972   1.062
  272   2HG   PRO  38          1HG       PRO  38   9.233   4.088  -0.656
  273   1HD   PRO  38          2HD       PRO  38  11.063   3.954   1.443
  274   2HD   PRO  38          1HD       PRO  38  11.420   4.503  -0.203
  275    H    SER  39           H        SER  39  10.740   7.398   3.474
  276    HA   SER  39           HA       SER  39   8.716   6.187   5.186
  277   1HB   SER  39          2HB       SER  39  11.352   6.130   5.465
  278   2HB   SER  39          1HB       SER  39  11.068   7.658   6.298
  279    HG   SER  39           HG       SER  39  10.996   5.617   7.575
  Start of MODEL   25
    1   1H    HIS   1          1HT       HIS   1 -26.106   7.773   7.410
    2   2H    HIS   1          2HT       HIS   1 -27.690   7.234   7.787
    3   3H    HIS   1          3HT       HIS   1 -26.696   6.316   6.732
    4    HA   HIS   1           HA       HIS   1 -25.811   6.900   9.449
    5   1HB   HIS   1          2HB       HIS   1 -26.929   4.808  10.191
    6   2HB   HIS   1          1HB       HIS   1 -28.072   6.062   9.730
    7    HD1  HIS   1           1HD      HIS   1 -29.746   3.972   9.514
    8    HD2  HIS   1           2HD      HIS   1 -26.714   4.180   6.681
    9    HE1  HIS   1           1HE      HIS   1 -30.457   2.438   7.652
   10    HE2  HIS   1           2HE      HIS   1 -28.645   2.643   5.916
   11    H    GLY   2           H        GLY   2 -24.234   6.691   7.152
   12   1HA   GLY   2          2HA       GLY   2 -22.863   4.142   7.694
   13   2HA   GLY   2          1HA       GLY   2 -23.206   4.600   6.033
   14    H    GLU   3           H        GLU   3 -22.426   6.939   5.517
   15    HA   GLU   3           HA       GLU   3 -19.667   7.160   6.524
   16   1HB   GLU   3          2HB       GLU   3 -20.888   7.482   3.848
   17   2HB   GLU   3          1HB       GLU   3 -19.629   8.636   4.260
   18   1HG   GLU   3          2HG       GLU   3 -19.132   5.736   4.709
   19   2HG   GLU   3          1HG       GLU   3 -19.058   6.379   3.070
   20    H    GLY   4           H        GLY   4 -18.780   9.217   6.948
   21   1HA   GLY   4          2HA       GLY   4 -19.687  11.713   6.643
   22   2HA   GLY   4          1HA       GLY   4 -20.747  11.130   7.917
   23    H    THR   5           H        THR   5 -17.519  12.109   7.078
   24    HA   THR   5           HA       THR   5 -15.784  12.864   8.332
   25    HB   THR   5           HB       THR   5 -17.564  12.528  10.753
   26    HG1  THR   5           1HG      THR   5 -18.616  14.224  10.136
   27   1HG2  THR   5          1HG2      THR   5 -15.790  13.273  11.856
   28   2HG2  THR   5          2HG2      THR   5 -16.065  14.816  11.049
   29   3HG2  THR   5          3HG2      THR   5 -14.926  13.655  10.367
   30    H    PHE   6           H        PHE   6 -14.268  11.324   8.142
   31    HA   PHE   6           HA       PHE   6 -14.474   8.936   9.830
   32   1HB   PHE   6          2HB       PHE   6 -12.372   8.317   8.289
   33   2HB   PHE   6          1HB       PHE   6 -14.030   7.999   7.806
   34    HD1  PHE   6           1HD      PHE   6 -10.970   9.573   6.939
   35    HD2  PHE   6           2HD      PHE   6 -15.182   9.785   6.345
   36    HE1  PHE   6           1HE      PHE   6 -10.613  10.891   4.893
   37    HE2  PHE   6           2HE      PHE   6 -14.829  11.107   4.300
   38    HZ   PHE   6           HZ       PHE   6 -12.543  11.661   3.573
   39    H    THR   7           H        THR   7 -11.732  10.834   8.610
   40    HA   THR   7           HA       THR   7  -9.921  11.751   9.600
   41    HB   THR   7           HB       THR   7 -11.487  11.293  12.135
   42    HG1  THR   7           1HG      THR   7 -12.529  12.847  11.096
   43   1HG2  THR   7          1HG2      THR   7 -10.032  12.890  13.217
   44   2HG2  THR   7          2HG2      THR   7  -9.053  13.016  11.757
   45   3HG2  THR   7          3HG2      THR   7  -9.105  11.499  12.654
   46    H    SER   8           H        SER   8 -11.060   9.078  11.637
   47    HA   SER   8           HA       SER   8  -8.435   8.136  12.218
   48   1HB   SER   8          2HB       SER   8 -10.808   7.798  13.439
   49   2HB   SER   8          1HB       SER   8 -10.736   6.287  12.532
   50    HG   SER   8           HG       SER   8  -9.203   7.157  14.664
   51    H    ASP   9           H        ASP   9 -10.949   7.184   9.921
   52    HA   ASP   9           HA       ASP   9  -9.794   4.792   9.022
   53   1HB   ASP   9          2HB       ASP   9 -11.864   6.647   8.047
   54   2HB   ASP   9          1HB       ASP   9 -11.061   5.720   6.786
   55    H    LEU  10           H        LEU  10  -9.271   8.136   8.041
   56    HA   LEU  10           HA       LEU  10  -7.686   7.648   5.770
   57   1HB   LEU  10          2HB       LEU  10  -8.718   9.867   6.889
   58   2HB   LEU  10          1HB       LEU  10  -7.062  10.017   7.444
   59    HG   LEU  10           HG       LEU  10  -7.448  11.276   5.380
   60   1HD1  LEU  10          1HD1      LEU  10  -5.498  10.619   4.252
   61   2HD1  LEU  10          2HD1      LEU  10  -5.689   8.931   4.727
   62   3HD1  LEU  10          3HD1      LEU  10  -5.244  10.141   5.931
   63   1HD2  LEU  10          1HD2      LEU  10  -8.843   8.909   4.611
   64   2HD2  LEU  10          2HD2      LEU  10  -7.549   9.211   3.453
   65   3HD2  LEU  10          3HD2      LEU  10  -8.749  10.462   3.780
   66    H    SER  11           H        SER  11  -6.842   8.012   9.196
   67    HA   SER  11           HA       SER  11  -4.055   8.014   8.935
   68   1HB   SER  11          2HB       SER  11  -5.966   7.815  11.079
   69   2HB   SER  11          1HB       SER  11  -4.657   6.662  11.338
   70    HG   SER  11           HG       SER  11  -3.886   8.494  12.196
   71    H    LYS  12           H        LYS  12  -6.337   5.332   9.243
   72    HA   LYS  12           HA       LYS  12  -4.385   3.278   9.397
   73   1HB   LYS  12          2HB       LYS  12  -7.268   3.468   9.307
   74   2HB   LYS  12          1HB       LYS  12  -6.709   2.177   8.253
   75   1HG   LYS  12          2HG       LYS  12  -5.704   2.396  11.063
   76   2HG   LYS  12          1HG       LYS  12  -7.259   1.638  10.709
   77   1HD   LYS  12          2HD       LYS  12  -5.104   0.702   8.976
   78   2HD   LYS  12          1HD       LYS  12  -4.807   0.385  10.686
   79   1HE   LYS  12          2HE       LYS  12  -6.794  -0.871  10.902
   80   2HE   LYS  12          1HE       LYS  12  -7.419  -0.289   9.360
   81   1HZ   LYS  12          1HZ       LYS  12  -5.737  -1.545   8.210
   82   2HZ   LYS  12          2HZ       LYS  12  -6.587  -2.577   9.247
   83   3HZ   LYS  12          3HZ       LYS  12  -5.040  -2.042   9.671
   84    H    GLN  13           H        GLN  13  -6.265   4.628   6.697
   85    HA   GLN  13           HA       GLN  13  -5.288   2.878   4.710
   86   1HB   GLN  13          2HB       GLN  13  -6.916   5.286   4.819
   87   2HB   GLN  13          1HB       GLN  13  -5.867   5.274   3.409
   88   1HG   GLN  13          2HG       GLN  13  -7.649   2.971   4.149
   89   2HG   GLN  13          1HG       GLN  13  -8.156   4.288   3.094
   90   1HE2  GLN  13          1HE2      GLN  13  -8.386   2.047   1.889
   91   2HE2  GLN  13          2HE2      GLN  13  -7.078   1.693   0.817
   92    H    MET  14           H        MET  14  -4.242   6.143   5.681
   93    HA   MET  14           HA       MET  14  -2.205   6.471   3.796
   94   1HB   MET  14          2HB       MET  14  -3.173   7.888   6.028
   95   2HB   MET  14          1HB       MET  14  -1.456   7.650   6.320
   96   1HG   MET  14          2HG       MET  14  -1.149   8.510   3.917
   97   2HG   MET  14          1HG       MET  14  -2.800   9.106   4.082
   98   1HE   MET  14          1HE       MET  14   0.434  10.856   3.946
   99   2HE   MET  14          2HE       MET  14  -0.528  12.263   4.394
  100   3HE   MET  14          3HE       MET  14  -1.169  11.086   3.248
  101    H    GLU  15           H        GLU  15  -2.149   4.938   6.990
  102    HA   GLU  15           HA       GLU  15   0.622   4.494   7.155
  103   1HB   GLU  15          2HB       GLU  15  -1.790   3.290   8.441
  104   2HB   GLU  15          1HB       GLU  15  -0.248   2.463   8.615
  105   1HG   GLU  15          2HG       GLU  15   0.007   5.287   9.153
  106   2HG   GLU  15          1HG       GLU  15  -1.222   4.541  10.173
  107    H    GLU  16           H        GLU  16  -2.001   2.470   5.867
  108    HA   GLU  16           HA       GLU  16  -0.363   0.266   5.171
  109   1HB   GLU  16          2HB       GLU  16  -3.059   1.139   4.118
  110   2HB   GLU  16          1HB       GLU  16  -2.299  -0.396   3.726
  111   1HG   GLU  16          2HG       GLU  16  -2.261  -0.222   6.519
  112   2HG   GLU  16          1HG       GLU  16  -3.857   0.337   6.019
  113    H    GLU  17           H        GLU  17  -1.440   3.134   3.398
  114    HA   GLU  17           HA       GLU  17  -0.471   2.404   0.858
  115   1HB   GLU  17          2HB       GLU  17  -1.053   5.060   2.148
  116   2HB   GLU  17          1HB       GLU  17  -0.411   4.959   0.515
  117   1HG   GLU  17          2HG       GLU  17  -2.331   3.881  -0.291
  118   2HG   GLU  17          1HG       GLU  17  -2.899   3.499   1.333
  119    H    ALA  18           H        ALA  18   1.046   4.089   3.567
  120    HA   ALA  18           HA       ALA  18   3.440   4.821   2.286
  121   1HB   ALA  18          1HB       ALA  18   2.937   4.235   5.203
  122   2HB   ALA  18          2HB       ALA  18   2.783   5.800   4.404
  123   3HB   ALA  18          3HB       ALA  18   4.368   5.040   4.555
  124    H    VAL  19           H        VAL  19   2.471   1.861   3.961
  125    HA   VAL  19           HA       VAL  19   4.992   0.596   4.028
  126    HB   VAL  19           HB       VAL  19   2.266  -0.707   3.846
  127   1HG1  VAL  19          1HG1      VAL  19   3.661  -2.475   5.223
  128   2HG1  VAL  19          2HG1      VAL  19   5.006  -1.755   4.338
  129   3HG1  VAL  19          3HG1      VAL  19   3.659  -2.477   3.459
  130   1HG2  VAL  19          1HG2      VAL  19   3.376  -0.814   6.460
  131   2HG2  VAL  19          2HG2      VAL  19   1.891  -0.028   5.926
  132   3HG2  VAL  19          3HG2      VAL  19   3.412   0.863   5.912
  133    H    ARG  20           H        ARG  20   2.386   0.556   1.607
  134    HA   ARG  20           HA       ARG  20   3.516  -1.334  -0.136
  135   1HB   ARG  20          2HB       ARG  20   1.158  -0.100  -0.093
  136   2HB   ARG  20          1HB       ARG  20   1.955   0.946  -1.260
  137   1HG   ARG  20          2HG       ARG  20   2.483  -1.060  -2.620
  138   2HG   ARG  20          1HG       ARG  20   1.547  -2.029  -1.482
  139   1HD   ARG  20          2HD       ARG  20   0.050  -1.571  -3.220
  140   2HD   ARG  20          1HD       ARG  20  -0.373  -0.411  -1.963
  141    HE   ARG  20           HE       ARG  20   1.501   0.719  -3.758
  142   1HH1  ARG  20          1HH1      ARG  20  -1.877  -0.170  -3.532
  143   2HH1  ARG  20          2HH1      ARG  20  -2.394   1.018  -4.678
  144   1HH2  ARG  20          1HH2      ARG  20   0.816   2.283  -5.269
  145   2HH2  ARG  20          2HH2      ARG  20  -0.866   2.412  -5.666
  146    H    LEU  21           H        LEU  21   3.844   2.205  -0.008
  147    HA   LEU  21           HA       LEU  21   5.451   2.484  -2.310
  148   1HB   LEU  21          2HB       LEU  21   4.790   4.150   0.050
  149   2HB   LEU  21          1HB       LEU  21   6.268   4.564  -0.800
  150    HG   LEU  21           HG       LEU  21   3.686   4.259  -2.296
  151   1HD1  LEU  21          1HD1      LEU  21   3.261   6.625  -2.025
  152   2HD1  LEU  21          2HD1      LEU  21   4.669   6.784  -0.976
  153   3HD1  LEU  21          3HD1      LEU  21   3.280   5.832  -0.451
  154   1HD2  LEU  21          1HD2      LEU  21   4.760   5.721  -3.882
  155   2HD2  LEU  21          2HD2      LEU  21   5.834   4.370  -3.521
  156   3HD2  LEU  21          3HD2      LEU  21   6.131   5.950  -2.798
  157    H    PHE  22           H        PHE  22   6.258   2.043   1.114
  158    HA   PHE  22           HA       PHE  22   9.056   2.211   0.849
  159   1HB   PHE  22          2HB       PHE  22   8.067   2.407   3.028
  160   2HB   PHE  22          1HB       PHE  22   7.300   0.830   2.885
  161    HD1  PHE  22           1HD      PHE  22   8.266  -0.935   3.966
  162    HD2  PHE  22           2HD      PHE  22  10.709   2.351   2.806
  163    HE1  PHE  22           1HE      PHE  22  10.196  -1.979   5.083
  164    HE2  PHE  22           2HE      PHE  22  12.640   1.315   3.922
  165    HZ   PHE  22           HZ       PHE  22  12.386  -0.852   5.063
  166    H    ILE  23           H        ILE  23   6.804  -0.515   0.669
  167    HA   ILE  23           HA       ILE  23   8.684  -2.591   0.445
  168    HB   ILE  23           HB       ILE  23   5.833  -2.340  -0.506
  169   1HG1  ILE  23          2HG1      ILE  23   6.919  -4.223   1.572
  170   2HG1  ILE  23          1HG1      ILE  23   6.563  -2.547   1.977
  171   1HG2  ILE  23          1HG2      ILE  23   7.656  -4.727  -0.753
  172   2HG2  ILE  23          2HG2      ILE  23   6.841  -3.860  -2.054
  173   3HG2  ILE  23          3HG2      ILE  23   5.898  -4.800  -0.899
  174   1HD1  ILE  23          1HD1      ILE  23   4.728  -4.059   2.545
  175   2HD1  ILE  23          2HD1      ILE  23   4.588  -4.518   0.848
  176   3HD1  ILE  23          3HD1      ILE  23   4.248  -2.861   1.344
  177    H    GLU  24           H        GLU  24   7.060  -0.618  -2.030
  178    HA   GLU  24           HA       GLU  24   8.186  -1.884  -4.285
  179   1HB   GLU  24          2HB       GLU  24   6.219  -0.308  -4.273
  180   2HB   GLU  24          1HB       GLU  24   7.360   1.015  -4.075
  181   1HG   GLU  24          2HG       GLU  24   8.250   0.727  -6.207
  182   2HG   GLU  24          1HG       GLU  24   7.599  -0.905  -6.359
  183    H    TRP  25           H        TRP  25   9.272   0.792  -2.256
  184    HA   TRP  25           HA       TRP  25  11.469   1.607  -3.824
  185   1HB   TRP  25          2HB       TRP  25  10.636   3.060  -2.099
  186   2HB   TRP  25          1HB       TRP  25  10.911   1.839  -0.862
  187    HD1  TRP  25           HD       TRP  25  12.985   4.058  -3.276
  188    HE1  TRP  25           1HE      TRP  25  15.229   4.582  -2.130
  189    HE3  TRP  25           3HE      TRP  25  12.423   1.230   0.944
  190    HZ2  TRP  25           2HZ      TRP  25  16.582   3.890   0.247
  191    HZ3  TRP  25           3HZ      TRP  25  14.238   1.217   2.604
  192    HH2  TRP  25           HH       TRP  25  16.274   2.519   2.261
  193    H    LEU  26           H        LEU  26  11.134  -0.824  -1.265
  194    HA   LEU  26           HA       LEU  26  13.910  -1.458  -1.137
  195   1HB   LEU  26          2HB       LEU  26  11.427  -2.900  -0.232
  196   2HB   LEU  26          1HB       LEU  26  13.028  -3.588  -0.035
  197    HG   LEU  26           HG       LEU  26  12.026  -1.018   1.193
  198   1HD1  LEU  26          1HD1      LEU  26  12.679  -2.466   3.283
  199   2HD1  LEU  26          2HD1      LEU  26  12.384  -3.806   2.174
  200   3HD1  LEU  26          3HD1      LEU  26  11.101  -2.642   2.511
  201   1HD2  LEU  26          1HD2      LEU  26  14.186  -0.965   2.356
  202   2HD2  LEU  26          2HD2      LEU  26  14.380  -0.823   0.609
  203   3HD2  LEU  26          3HD2      LEU  26  14.724  -2.357   1.412
  204    H    LYS  27           H        LYS  27  11.213  -2.557  -3.080
  205    HA   LYS  27           HA       LYS  27  12.383  -4.908  -4.122
  206   1HB   LYS  27          2HB       LYS  27  10.063  -3.190  -4.773
  207   2HB   LYS  27          1HB       LYS  27  10.687  -4.169  -6.093
  208   1HG   LYS  27          2HG       LYS  27  10.500  -6.155  -4.557
  209   2HG   LYS  27          1HG       LYS  27   9.617  -5.105  -3.446
  210   1HD   LYS  27          2HD       LYS  27   8.200  -4.582  -5.608
  211   2HD   LYS  27          1HD       LYS  27   8.819  -6.154  -6.118
  212   1HE   LYS  27          2HE       LYS  27   7.781  -7.270  -4.344
  213   2HE   LYS  27          1HE       LYS  27   7.542  -5.781  -3.430
  214   1HZ   LYS  27          1HZ       LYS  27   5.920  -5.076  -5.085
  215   2HZ   LYS  27          2HZ       LYS  27   5.473  -6.553  -4.395
  216   3HZ   LYS  27          3HZ       LYS  27   6.143  -6.515  -5.947
  217    H    ASN  28           H        ASN  28  12.503  -1.518  -5.141
  218    HA   ASN  28           HA       ASN  28  13.861  -2.114  -7.603
  219   1HB   ASN  28          2HB       ASN  28  13.975   0.267  -7.945
  220   2HB   ASN  28          1HB       ASN  28  12.378  -0.132  -7.328
  221   1HD2  ASN  28          1HD2      ASN  28  11.790   1.666  -6.301
  222   2HD2  ASN  28          2HD2      ASN  28  12.684   2.421  -5.030
  223    H    GLY  29           H        GLY  29  14.935  -2.221  -4.467
  224   1HA   GLY  29          2HA       GLY  29  17.376  -2.902  -4.463
  225   2HA   GLY  29          1HA       GLY  29  17.651  -1.335  -5.207
  226    H    GLY  30           H        GLY  30  15.323  -0.399  -3.305
  227   1HA   GLY  30          2HA       GLY  30  15.161   0.593  -1.247
  228   2HA   GLY  30          1HA       GLY  30  16.299  -0.615  -0.669
  229    HA   PRO  31           HA       PRO  31  18.724   3.139   0.018
  230   1HB   PRO  31          2HB       PRO  31  20.668   1.170   1.064
  231   2HB   PRO  31          1HB       PRO  31  19.974   2.593   1.847
  232   1HG   PRO  31          2HG       PRO  31  19.224   0.130   2.559
  233   2HG   PRO  31          1HG       PRO  31  18.056   1.464   2.497
  234   1HD   PRO  31          2HD       PRO  31  18.518  -0.744   0.523
  235   2HD   PRO  31          1HD       PRO  31  16.988  -0.056   1.107
  236    H    SER  32           H        SER  32  19.790   0.166  -1.560
  237    HA   SER  32           HA       SER  32  22.033   1.572  -2.806
  238   1HB   SER  32          2HB       SER  32  22.189  -0.787  -1.763
  239   2HB   SER  32          1HB       SER  32  21.364  -1.334  -3.222
  240    HG   SER  32           HG       SER  32  23.120  -0.995  -4.352
  241    H    SER  33           H        SER  33  19.430   2.379  -3.606
  242    HA   SER  33           HA       SER  33  19.316   1.358  -6.368
  243   1HB   SER  33          2HB       SER  33  17.265   0.973  -4.977
  244   2HB   SER  33          1HB       SER  33  17.079   2.722  -4.859
  245    HG   SER  33           HG       SER  33  16.441   1.055  -6.902
  246    H    GLY  34           H        GLY  34  19.451   4.236  -4.343
  247   1HA   GLY  34          2HA       GLY  34  20.807   6.034  -5.479
  248   2HA   GLY  34          1HA       GLY  34  19.645   5.886  -6.787
  249    H    ALA  35           H        ALA  35  17.279   5.700  -5.380
  250    HA   ALA  35           HA       ALA  35  17.003   8.448  -4.450
  251   1HB   ALA  35          1HB       ALA  35  15.323   6.579  -5.836
  252   2HB   ALA  35          2HB       ALA  35  15.115   8.315  -5.610
  253   3HB   ALA  35          3HB       ALA  35  14.496   7.189  -4.402
  254    HA   PRO  36           HA       PRO  36  16.649   7.445  -0.163
  255   1HB   PRO  36          2HB       PRO  36  14.955   9.369   0.709
  256   2HB   PRO  36          1HB       PRO  36  16.616   9.717   0.216
  257   1HG   PRO  36          2HG       PRO  36  14.073  10.057  -1.328
  258   2HG   PRO  36          1HG       PRO  36  15.455  11.160  -1.193
  259   1HD   PRO  36          2HD       PRO  36  15.080   9.529  -3.329
  260   2HD   PRO  36          1HD       PRO  36  16.691  10.001  -2.752
  261    HA   PRO  37           HA       PRO  37  13.082   4.959   0.620
  262   1HB   PRO  37          2HB       PRO  37  12.789   5.181   3.314
  263   2HB   PRO  37          1HB       PRO  37  14.086   4.250   2.559
  264   1HG   PRO  37          2HG       PRO  37  14.156   7.019   3.691
  265   2HG   PRO  37          1HG       PRO  37  15.339   5.708   3.863
  266   1HD   PRO  37          2HD       PRO  37  15.681   7.748   2.123
  267   2HD   PRO  37          1HD       PRO  37  16.271   6.106   1.790
  268    HA   PRO  38           HA       PRO  38   9.631   7.791   0.590
  269   1HB   PRO  38          2HB       PRO  38   7.651   5.956   0.381
  270   2HB   PRO  38          1HB       PRO  38   8.712   6.367  -0.971
  271   1HG   PRO  38          2HG       PRO  38   8.834   4.033   0.894
  272   2HG   PRO  38          1HG       PRO  38   9.060   4.072  -0.862
  273   1HD   PRO  38          2HD       PRO  38  11.129   3.989   0.899
  274   2HD   PRO  38          1HD       PRO  38  11.242   4.769  -0.691
  275    H    SER  39           H        SER  39   9.339   8.768   2.532
  276    HA   SER  39           HA       SER  39   8.733   7.288   4.922
  277   1HB   SER  39          2HB       SER  39   8.857  10.253   4.339
  278   2HB   SER  39          1HB       SER  39   8.488   9.592   5.932
  279    HG   SER  39           HG       SER  39  10.841  10.085   5.034
  Start of MODEL   26
    1   1H    HIS   1          1HT       HIS   1 -25.238  14.129  13.890
    2   2H    HIS   1          2HT       HIS   1 -26.699  13.314  14.265
    3   3H    HIS   1          3HT       HIS   1 -26.558  14.190  12.797
    4    HA   HIS   1           HA       HIS   1 -26.321  12.027  12.159
    5   1HB   HIS   1          2HB       HIS   1 -23.740  13.504  12.538
    6   2HB   HIS   1          1HB       HIS   1 -23.699  11.877  11.873
    7    HD1  HIS   1           1HD      HIS   1 -23.330  12.154   9.442
    8    HD2  HIS   1           2HD      HIS   1 -26.133  14.854  10.896
    9    HE1  HIS   1           1HE      HIS   1 -24.184  13.388   7.425
   10    HE2  HIS   1           2HE      HIS   1 -25.833  15.060   8.335
   11    H    GLY   2           H        GLY   2 -24.032  12.563  14.852
   12   1HA   GLY   2          2HA       GLY   2 -24.582  10.862  16.724
   13   2HA   GLY   2          1HA       GLY   2 -24.172   9.693  15.480
   14    H    GLU   3           H        GLU   3 -22.023   9.393  14.888
   15    HA   GLU   3           HA       GLU   3 -20.010  10.946  16.357
   16   1HB   GLU   3          2HB       GLU   3 -20.440   7.986  16.439
   17   2HB   GLU   3          1HB       GLU   3 -18.805   8.618  16.568
   18   1HG   GLU   3          2HG       GLU   3 -21.083   9.424  18.359
   19   2HG   GLU   3          1HG       GLU   3 -19.894   8.181  18.746
   20    H    GLY   4           H        GLY   4 -17.890  10.910  15.449
   21   1HA   GLY   4          2HA       GLY   4 -17.914  10.822  12.569
   22   2HA   GLY   4          1HA       GLY   4 -16.571  11.309  13.591
   23    H    THR   5           H        THR   5 -15.366   9.552  14.688
   24    HA   THR   5           HA       THR   5 -14.069   7.692  14.571
   25    HB   THR   5           HB       THR   5 -16.358   6.210  13.303
   26    HG1  THR   5           1HG      THR   5 -16.199   7.076  16.001
   27   1HG2  THR   5          1HG2      THR   5 -15.112   4.464  13.837
   28   2HG2  THR   5          2HG2      THR   5 -15.405   4.851  15.533
   29   3HG2  THR   5          3HG2      THR   5 -13.967   5.472  14.721
   30    H    PHE   6           H        PHE   6 -13.780   9.458  12.439
   31    HA   PHE   6           HA       PHE   6 -13.501   7.754  10.067
   32   1HB   PHE   6          2HB       PHE   6 -13.227   9.822   8.800
   33   2HB   PHE   6          1HB       PHE   6 -14.698   9.888   9.763
   34    HD1  PHE   6           1HD      PHE   6 -14.911  11.424  11.608
   35    HD2  PHE   6           2HD      PHE   6 -11.318  11.223   9.334
   36    HE1  PHE   6           1HE      PHE   6 -14.171  13.554  12.594
   37    HE2  PHE   6           2HE      PHE   6 -10.573  13.352  10.317
   38    HZ   PHE   6           HZ       PHE   6 -12.000  14.519  11.951
   39    H    THR   7           H        THR   7 -11.652   9.561  12.421
   40    HA   THR   7           HA       THR   7  -9.197   9.760  11.125
   41    HB   THR   7           HB       THR   7  -9.491   9.206  14.072
   42    HG1  THR   7           1HG      THR   7  -9.976  11.625  12.674
   43   1HG2  THR   7          1HG2      THR   7  -7.476  10.128  14.372
   44   2HG2  THR   7          2HG2      THR   7  -7.724  11.339  13.116
   45   3HG2  THR   7          3HG2      THR   7  -7.234   9.704  12.677
   46    H    SER   8           H        SER   8 -10.651   7.027  12.799
   47    HA   SER   8           HA       SER   8  -8.402   5.389  13.051
   48   1HB   SER   8          2HB       SER   8 -10.969   5.122  13.802
   49   2HB   SER   8          1HB       SER   8 -10.982   4.076  12.381
   50    HG   SER   8           HG       SER   8  -9.747   3.731  14.824
   51    H    ASP   9           H        ASP   9 -10.691   5.723  10.372
   52    HA   ASP   9           HA       ASP   9  -9.390   3.751   8.747
   53   1HB   ASP   9          2HB       ASP   9 -11.822   4.309   8.574
   54   2HB   ASP   9          1HB       ASP   9 -11.371   5.867   7.889
   55    H    LEU  10           H        LEU  10  -9.344   7.274   8.954
   56    HA   LEU  10           HA       LEU  10  -7.859   7.759   6.606
   57   1HB   LEU  10          2HB       LEU  10  -9.036   9.301   8.601
   58   2HB   LEU  10          1HB       LEU  10  -7.325   9.663   8.739
   59    HG   LEU  10           HG       LEU  10  -8.614   9.772   6.044
   60   1HD1  LEU  10          1HD1      LEU  10  -8.728  12.008   8.063
   61   2HD1  LEU  10          2HD1      LEU  10 -10.104  11.031   7.553
   62   3HD1  LEU  10          3HD1      LEU  10  -9.279  12.066   6.388
   63   1HD2  LEU  10          1HD2      LEU  10  -6.410  11.358   7.356
   64   2HD2  LEU  10          2HD2      LEU  10  -6.926  11.487   5.675
   65   3HD2  LEU  10          3HD2      LEU  10  -6.186   9.997   6.257
   66    H    SER  11           H        SER  11  -6.872   7.059   9.923
   67    HA   SER  11           HA       SER  11  -4.098   7.568   9.509
   68   1HB   SER  11          2HB       SER  11  -5.556   5.965  11.623
   69   2HB   SER  11          1HB       SER  11  -3.819   6.269  11.650
   70    HG   SER  11           HG       SER  11  -4.170   8.357  12.066
   71    H    LYS  12           H        LYS  12  -6.187   4.785   9.096
   72    HA   LYS  12           HA       LYS  12  -4.081   2.876   8.789
   73   1HB   LYS  12          2HB       LYS  12  -7.011   2.884   8.688
   74   2HB   LYS  12          1HB       LYS  12  -6.269   1.757   7.561
   75   1HG   LYS  12          2HG       LYS  12  -4.984   0.791   9.443
   76   2HG   LYS  12          1HG       LYS  12  -5.862   1.856  10.541
   77   1HD   LYS  12          2HD       LYS  12  -7.273   0.107  10.713
   78   2HD   LYS  12          1HD       LYS  12  -7.917   0.722   9.189
   79   1HE   LYS  12          2HE       LYS  12  -5.703  -1.315   9.350
   80   2HE   LYS  12          1HE       LYS  12  -7.409  -1.750   9.257
   81   1HZ   LYS  12          1HZ       LYS  12  -5.751  -0.386   7.224
   82   2HZ   LYS  12          2HZ       LYS  12  -7.440  -0.315   7.174
   83   3HZ   LYS  12          3HZ       LYS  12  -6.655  -1.808   7.067
   84    H    GLN  13           H        GLN  13  -6.181   4.647   6.503
   85    HA   GLN  13           HA       GLN  13  -5.249   3.415   4.162
   86   1HB   GLN  13          2HB       GLN  13  -6.108   5.412   2.974
   87   2HB   GLN  13          1HB       GLN  13  -7.261   4.759   4.128
   88   1HG   GLN  13          2HG       GLN  13  -6.626   6.505   5.729
   89   2HG   GLN  13          1HG       GLN  13  -5.508   7.172   4.541
   90   1HE2  GLN  13          1HE2      GLN  13  -6.249   8.678   3.201
   91   2HE2  GLN  13          2HE2      GLN  13  -7.913   9.062   2.944
   92    H    MET  14           H        MET  14  -4.035   6.256   5.901
   93    HA   MET  14           HA       MET  14  -2.045   6.929   3.985
   94   1HB   MET  14          2HB       MET  14  -2.450   7.626   6.887
   95   2HB   MET  14          1HB       MET  14  -1.027   8.165   6.005
   96   1HG   MET  14          2HG       MET  14  -3.849   8.732   5.134
   97   2HG   MET  14          1HG       MET  14  -2.891   9.821   6.136
   98   1HE   MET  14          1HE       MET  14  -3.216  11.850   4.214
   99   2HE   MET  14          2HE       MET  14  -4.293  10.636   3.525
  100   3HE   MET  14          3HE       MET  14  -3.095  11.434   2.505
  101    H    GLU  15           H        GLU  15  -2.137   4.799   6.781
  102    HA   GLU  15           HA       GLU  15   0.661   4.307   6.924
  103   1HB   GLU  15          2HB       GLU  15  -1.725   3.442   8.300
  104   2HB   GLU  15          1HB       GLU  15  -0.688   2.065   7.959
  105   1HG   GLU  15          2HG       GLU  15   0.800   2.660   9.499
  106   2HG   GLU  15          1HG       GLU  15   0.775   4.352   9.002
  107    H    GLU  16           H        GLU  16  -2.054   2.575   5.408
  108    HA   GLU  16           HA       GLU  16  -0.615   0.341   4.512
  109   1HB   GLU  16          2HB       GLU  16  -3.085   1.661   3.377
  110   2HB   GLU  16          1HB       GLU  16  -2.461   0.116   2.819
  111   1HG   GLU  16          2HG       GLU  16  -3.814   0.807   5.373
  112   2HG   GLU  16          1HG       GLU  16  -4.075  -0.556   4.292
  113    H    GLU  17           H        GLU  17  -1.274   3.448   2.909
  114    HA   GLU  17           HA       GLU  17  -0.070   2.827   0.448
  115   1HB   GLU  17          2HB       GLU  17  -1.516   4.902   1.272
  116   2HB   GLU  17          1HB       GLU  17   0.076   5.617   1.486
  117   1HG   GLU  17          2HG       GLU  17  -0.770   6.221  -0.667
  118   2HG   GLU  17          1HG       GLU  17   0.581   5.109  -0.878
  119    H    ALA  18           H        ALA  18   1.262   4.203   3.419
  120    HA   ALA  18           HA       ALA  18   3.834   4.795   2.430
  121   1HB   ALA  18          1HB       ALA  18   4.511   4.742   4.839
  122   2HB   ALA  18          2HB       ALA  18   2.876   4.202   5.223
  123   3HB   ALA  18          3HB       ALA  18   3.133   5.782   4.482
  124    H    VAL  19           H        VAL  19   2.495   1.860   3.915
  125    HA   VAL  19           HA       VAL  19   4.933   0.430   4.094
  126    HB   VAL  19           HB       VAL  19   2.141  -0.702   3.766
  127   1HG1  VAL  19          1HG1      VAL  19   3.211  -2.652   3.632
  128   2HG1  VAL  19          2HG1      VAL  19   3.635  -2.426   5.330
  129   3HG1  VAL  19          3HG1      VAL  19   4.758  -1.926   4.066
  130   1HG2  VAL  19          1HG2      VAL  19   3.283   0.774   5.916
  131   2HG2  VAL  19          2HG2      VAL  19   3.078  -0.898   6.434
  132   3HG2  VAL  19          3HG2      VAL  19   1.697   0.010   5.823
  133    H    ARG  20           H        ARG  20   2.436   0.618   1.579
  134    HA   ARG  20           HA       ARG  20   3.520  -1.314  -0.160
  135   1HB   ARG  20          2HB       ARG  20   1.755   1.084  -0.666
  136   2HB   ARG  20          1HB       ARG  20   2.193  -0.063  -1.926
  137   1HG   ARG  20          2HG       ARG  20   1.259  -1.671   0.115
  138   2HG   ARG  20          1HG       ARG  20   0.192  -0.265   0.163
  139   1HD   ARG  20          2HD       ARG  20   0.499  -0.885  -2.550
  140   2HD   ARG  20          1HD       ARG  20   0.287  -2.434  -1.734
  141    HE   ARG  20           HE       ARG  20  -1.678  -0.359  -2.074
  142   1HH1  ARG  20          1HH1      ARG  20  -0.756  -3.142  -0.155
  143   2HH1  ARG  20          2HH1      ARG  20  -2.368  -3.451   0.392
  144   1HH2  ARG  20          1HH2      ARG  20  -3.801  -0.777  -1.350
  145   2HH2  ARG  20          2HH2      ARG  20  -4.095  -2.111  -0.285
  146    H    LEU  21           H        LEU  21   4.028   2.196   0.077
  147    HA   LEU  21           HA       LEU  21   5.698   2.432  -2.193
  148   1HB   LEU  21          2HB       LEU  21   5.531   4.123   0.304
  149   2HB   LEU  21          1HB       LEU  21   6.451   4.563  -1.121
  150    HG   LEU  21           HG       LEU  21   3.539   3.986  -1.436
  151   1HD1  LEU  21          1HD1      LEU  21   4.154   5.637   0.556
  152   2HD1  LEU  21          2HD1      LEU  21   2.789   5.924  -0.524
  153   3HD1  LEU  21          3HD1      LEU  21   4.313   6.772  -0.786
  154   1HD2  LEU  21          1HD2      LEU  21   5.701   5.273  -2.919
  155   2HD2  LEU  21          2HD2      LEU  21   4.207   6.209  -2.889
  156   3HD2  LEU  21          3HD2      LEU  21   4.198   4.552  -3.495
  157    H    PHE  22           H        PHE  22   6.379   1.901   1.248
  158    HA   PHE  22           HA       PHE  22   9.196   1.944   1.068
  159   1HB   PHE  22          2HB       PHE  22   8.140   2.158   3.218
  160   2HB   PHE  22          1HB       PHE  22   7.318   0.615   3.031
  161    HD1  PHE  22           1HD      PHE  22   8.164  -1.161   4.181
  162    HD2  PHE  22           2HD      PHE  22  10.803   1.962   3.002
  163    HE1  PHE  22           1HE      PHE  22  10.019  -2.295   5.338
  164    HE2  PHE  22           2HE      PHE  22  12.661   0.835   4.154
  165    HZ   PHE  22           HZ       PHE  22  12.270  -1.296   5.325
  166    H    ILE  23           H        ILE  23   6.825  -0.682   0.828
  167    HA   ILE  23           HA       ILE  23   8.630  -2.826   0.607
  168    HB   ILE  23           HB       ILE  23   5.803  -2.468  -0.387
  169   1HG1  ILE  23          2HG1      ILE  23   6.765  -4.385   1.720
  170   2HG1  ILE  23          1HG1      ILE  23   6.476  -2.695   2.114
  171   1HG2  ILE  23          1HG2      ILE  23   5.717  -4.833  -0.905
  172   2HG2  ILE  23          2HG2      ILE  23   7.418  -5.014  -0.474
  173   3HG2  ILE  23          3HG2      ILE  23   6.959  -4.044  -1.874
  174   1HD1  ILE  23          1HD1      ILE  23   4.466  -4.659   1.044
  175   2HD1  ILE  23          2HD1      ILE  23   4.156  -2.945   1.315
  176   3HD1  ILE  23          3HD1      ILE  23   4.543  -3.997   2.677
  177    H    GLU  24           H        GLU  24   7.116  -0.768  -1.872
  178    HA   GLU  24           HA       GLU  24   8.260  -2.083  -4.100
  179   1HB   GLU  24          2HB       GLU  24   6.288  -0.459  -4.085
  180   2HB   GLU  24          1HB       GLU  24   7.481   0.830  -4.011
  181   1HG   GLU  24          2HG       GLU  24   6.653   0.389  -6.289
  182   2HG   GLU  24          1HG       GLU  24   8.397   0.186  -6.131
  183    H    TRP  25           H        TRP  25   9.318   0.589  -2.061
  184    HA   TRP  25           HA       TRP  25  11.527   1.415  -3.600
  185   1HB   TRP  25          2HB       TRP  25  10.661   2.833  -1.846
  186   2HB   TRP  25          1HB       TRP  25  10.986   1.605  -0.630
  187    HD1  TRP  25           HD       TRP  25  12.942   3.942  -3.022
  188    HE1  TRP  25           1HE      TRP  25  15.205   4.485  -1.923
  189    HE3  TRP  25           3HE      TRP  25  12.573   0.946   1.100
  190    HZ2  TRP  25           2HZ      TRP  25  16.645   3.736   0.387
  191    HZ3  TRP  25           3HZ      TRP  25  14.440   0.914   2.706
  192    HH2  TRP  25           HH       TRP  25  16.431   2.282   2.355
  193    H    LEU  26           H        LEU  26  11.135  -1.118  -1.172
  194    HA   LEU  26           HA       LEU  26  13.925  -1.724  -0.984
  195   1HB   LEU  26          2HB       LEU  26  11.442  -3.235  -0.184
  196   2HB   LEU  26          1HB       LEU  26  13.059  -3.864   0.073
  197    HG   LEU  26           HG       LEU  26  11.980  -1.306   1.260
  198   1HD1  LEU  26          1HD1      LEU  26  10.883  -2.940   2.450
  199   2HD1  LEU  26          2HD1      LEU  26  12.363  -2.751   3.391
  200   3HD1  LEU  26          3HD1      LEU  26  12.195  -4.104   2.272
  201   1HD2  LEU  26          1HD2      LEU  26  14.022  -1.255   2.551
  202   2HD2  LEU  26          2HD2      LEU  26  14.412  -1.276   0.831
  203   3HD2  LEU  26          3HD2      LEU  26  14.575  -2.746   1.789
  204    H    LYS  27           H        LYS  27  11.261  -2.807  -2.993
  205    HA   LYS  27           HA       LYS  27  12.524  -5.102  -4.076
  206   1HB   LYS  27          2HB       LYS  27  10.113  -3.489  -4.687
  207   2HB   LYS  27          1HB       LYS  27  10.761  -4.454  -6.004
  208   1HG   LYS  27          2HG       LYS  27  10.112  -6.395  -5.080
  209   2HG   LYS  27          1HG       LYS  27  10.495  -5.864  -3.441
  210   1HD   LYS  27          2HD       LYS  27   8.354  -5.411  -3.049
  211   2HD   LYS  27          1HD       LYS  27   8.295  -4.333  -4.443
  212   1HE   LYS  27          2HE       LYS  27   8.143  -7.296  -4.826
  213   2HE   LYS  27          1HE       LYS  27   6.711  -6.395  -4.332
  214   1HZ   LYS  27          1HZ       LYS  27   8.329  -5.867  -6.769
  215   2HZ   LYS  27          2HZ       LYS  27   6.949  -5.008  -6.296
  216   3HZ   LYS  27          3HZ       LYS  27   6.821  -6.637  -6.731
  217    H    ASN  28           H        ASN  28  12.619  -1.689  -4.926
  218    HA   ASN  28           HA       ASN  28  13.902  -2.202  -7.468
  219   1HB   ASN  28          2HB       ASN  28  13.909   0.187  -7.781
  220   2HB   ASN  28          1HB       ASN  28  12.339  -0.292  -7.150
  221   1HD2  ASN  28          1HD2      ASN  28  11.750   1.581  -6.213
  222   2HD2  ASN  28          2HD2      ASN  28  12.594   2.318  -4.898
  223    H    GLY  29           H        GLY  29  15.104  -2.615  -4.513
  224   1HA   GLY  29          2HA       GLY  29  17.515  -3.087  -4.451
  225   2HA   GLY  29          1HA       GLY  29  17.754  -1.551  -5.266
  226    H    GLY  30           H        GLY  30  15.326  -1.000  -3.083
  227   1HA   GLY  30          2HA       GLY  30  15.239   0.095  -1.076
  228   2HA   GLY  30          1HA       GLY  30  16.587  -0.922  -0.596
  229    HA   PRO  31           HA       PRO  31  18.502   3.147  -0.132
  230   1HB   PRO  31          2HB       PRO  31  20.812   1.466   0.651
  231   2HB   PRO  31          1HB       PRO  31  20.034   2.790   1.524
  232   1HG   PRO  31          2HG       PRO  31  19.702   0.257   2.294
  233   2HG   PRO  31          1HG       PRO  31  18.371   1.426   2.380
  234   1HD   PRO  31          2HD       PRO  31  18.877  -0.729   0.362
  235   2HD   PRO  31          1HD       PRO  31  17.348  -0.221   1.110
  236    H    SER  32           H        SER  32  19.958   0.351  -1.766
  237    HA   SER  32           HA       SER  32  21.763   2.083  -3.259
  238   1HB   SER  32          2HB       SER  32  22.439  -0.189  -2.311
  239   2HB   SER  32          1HB       SER  32  21.455  -0.905  -3.585
  240    HG   SER  32           HG       SER  32  23.821   0.602  -3.796
  241    H    SER  33           H        SER  33  19.361   2.884  -3.929
  242    HA   SER  33           HA       SER  33  18.871   1.709  -6.586
  243   1HB   SER  33          2HB       SER  33  17.007   1.317  -4.952
  244   2HB   SER  33          1HB       SER  33  16.789   3.064  -4.861
  245    HG   SER  33           HG       SER  33  16.196   1.298  -6.933
  246    H    GLY  34           H        GLY  34  18.987   4.669  -4.645
  247   1HA   GLY  34          2HA       GLY  34  20.218   6.456  -6.015
  248   2HA   GLY  34          1HA       GLY  34  18.862   6.268  -7.116
  249    H    ALA  35           H        ALA  35  16.803   5.989  -5.221
  250    HA   ALA  35           HA       ALA  35  16.684   8.736  -4.185
  251   1HB   ALA  35          1HB       ALA  35  14.343   8.649  -4.407
  252   2HB   ALA  35          2HB       ALA  35  14.343   6.891  -4.561
  253   3HB   ALA  35          3HB       ALA  35  14.980   7.892  -5.866
  254    HA   PRO  36           HA       PRO  36  16.617   7.407   0.025
  255   1HB   PRO  36          2HB       PRO  36  14.922   9.211   1.152
  256   2HB   PRO  36          1HB       PRO  36  16.559   9.622   0.630
  257   1HG   PRO  36          2HG       PRO  36  13.955  10.075  -0.775
  258   2HG   PRO  36          1HG       PRO  36  15.336  11.172  -0.598
  259   1HD   PRO  36          2HD       PRO  36  14.890   9.758  -2.857
  260   2HD   PRO  36          1HD       PRO  36  16.525  10.152  -2.290
  261    HA   PRO  37           HA       PRO  37  13.158   4.787   0.867
  262   1HB   PRO  37          2HB       PRO  37  13.009   4.832   3.579
  263   2HB   PRO  37          1HB       PRO  37  14.289   3.994   2.699
  264   1HG   PRO  37          2HG       PRO  37  14.339   6.689   3.999
  265   2HG   PRO  37          1HG       PRO  37  15.570   5.411   4.026
  266   1HD   PRO  37          2HD       PRO  37  15.749   7.566   2.401
  267   2HD   PRO  37          1HD       PRO  37  16.377   5.971   1.939
  268    HA   PRO  38           HA       PRO  38   9.653   7.548   1.161
  269   1HB   PRO  38          2HB       PRO  38   7.711   5.667   0.901
  270   2HB   PRO  38          1HB       PRO  38   8.669   6.254  -0.462
  271   1HG   PRO  38          2HG       PRO  38   8.977   3.746   1.134
  272   2HG   PRO  38          1HG       PRO  38   9.115   3.984  -0.618
  273   1HD   PRO  38          2HD       PRO  38  11.271   3.788   1.022
  274   2HD   PRO  38          1HD       PRO  38  11.277   4.746  -0.471
  275    H    SER  39           H        SER  39   9.718   4.514   3.033
  276    HA   SER  39           HA       SER  39   8.387   5.940   5.242
  277   1HB   SER  39          2HB       SER  39   7.160   3.966   3.978
  278   2HB   SER  39          1HB       SER  39   8.180   2.965   5.011
  279    HG   SER  39           HG       SER  39   6.276   3.358   6.097
  Start of MODEL   27
    1   1H    HIS   1          1HT       HIS   1 -15.830  15.285   4.119
    2   2H    HIS   1          2HT       HIS   1 -15.567  13.631   4.501
    3   3H    HIS   1          3HT       HIS   1 -16.393  14.650   5.609
    4    HA   HIS   1           HA       HIS   1 -18.187  14.914   4.108
    5   1HB   HIS   1          2HB       HIS   1 -16.339  14.366   2.187
    6   2HB   HIS   1          1HB       HIS   1 -17.184  12.825   2.262
    7    HD1  HIS   1           1HD      HIS   1 -19.059  16.027   2.785
    8    HD2  HIS   1           2HD      HIS   1 -18.391  13.237  -0.221
    9    HE1  HIS   1           1HE      HIS   1 -20.721  16.572   0.980
   10    HE2  HIS   1           2HE      HIS   1 -20.220  14.942  -0.875
   11    H    GLY   2           H        GLY   2 -18.439  13.830   6.312
   12   1HA   GLY   2          2HA       GLY   2 -20.160  12.040   6.741
   13   2HA   GLY   2          1HA       GLY   2 -19.020  10.952   5.964
   14    H    GLU   3           H        GLU   3 -20.092  12.160   8.891
   15    HA   GLU   3           HA       GLU   3 -17.571  11.748  10.303
   16   1HB   GLU   3          2HB       GLU   3 -19.900  13.315  10.760
   17   2HB   GLU   3          1HB       GLU   3 -19.751  12.182  12.095
   18   1HG   GLU   3          2HG       GLU   3 -17.637  13.004  12.698
   19   2HG   GLU   3          1HG       GLU   3 -17.450  13.870  11.174
   20    H    GLY   4           H        GLY   4 -17.630  10.443  12.346
   21   1HA   GLY   4          2HA       GLY   4 -18.907   8.642  13.518
   22   2HA   GLY   4          1HA       GLY   4 -19.218   7.983  11.920
   23    H    THR   5           H        THR   5 -16.417   9.043  13.868
   24    HA   THR   5           HA       THR   5 -14.354   8.155  14.186
   25    HB   THR   5           HB       THR   5 -15.563   5.455  13.593
   26    HG1  THR   5           1HG      THR   5 -15.808   7.002  15.958
   27   1HG2  THR   5          1HG2      THR   5 -13.443   6.328  15.541
   28   2HG2  THR   5          2HG2      THR   5 -13.194   5.405  14.060
   29   3HG2  THR   5          3HG2      THR   5 -14.097   4.696  15.399
   30    H    PHE   6           H        PHE   6 -14.176   9.289  11.953
   31    HA   PHE   6           HA       PHE   6 -13.548   7.438   9.791
   32   1HB   PHE   6          2HB       PHE   6 -13.341   9.404   8.384
   33   2HB   PHE   6          1HB       PHE   6 -14.840   9.492   9.302
   34    HD1  PHE   6           1HD      PHE   6 -15.190  11.201  10.947
   35    HD2  PHE   6           2HD      PHE   6 -11.472  10.889   8.900
   36    HE1  PHE   6           1HE      PHE   6 -14.558  13.435  11.760
   37    HE2  PHE   6           2HE      PHE   6 -10.832  13.121   9.711
   38    HZ   PHE   6           HZ       PHE   6 -12.376  14.398  11.143
   39    H    THR   7           H        THR   7 -11.922   9.495  12.105
   40    HA   THR   7           HA       THR   7  -9.417   9.745  10.924
   41    HB   THR   7           HB       THR   7  -8.664   9.724  13.448
   42    HG1  THR   7           1HG      THR   7 -10.393   8.905  14.466
   43   1HG2  THR   7          1HG2      THR   7 -10.280  11.974  13.523
   44   2HG2  THR   7          2HG2      THR   7  -9.930  11.723  11.813
   45   3HG2  THR   7          3HG2      THR   7  -8.609  11.878  12.970
   46    H    SER   8           H        SER   8 -10.786   7.075  12.774
   47    HA   SER   8           HA       SER   8  -8.449   5.582  13.169
   48   1HB   SER   8          2HB       SER   8 -11.365   4.898  13.054
   49   2HB   SER   8          1HB       SER   8 -10.174   3.599  13.121
   50    HG   SER   8           HG       SER   8  -9.911   4.014  15.156
   51    H    ASP   9           H        ASP   9 -10.807   5.497  10.527
   52    HA   ASP   9           HA       ASP   9  -9.419   3.478   9.050
   53   1HB   ASP   9          2HB       ASP   9 -11.615   5.395   8.249
   54   2HB   ASP   9          1HB       ASP   9 -11.003   4.109   7.213
   55    H    LEU  10           H        LEU  10  -9.452   6.993   9.043
   56    HA   LEU  10           HA       LEU  10  -8.083   7.410   6.615
   57   1HB   LEU  10          2HB       LEU  10  -9.341   9.085   8.144
   58   2HB   LEU  10          1HB       LEU  10  -7.814   9.223   8.995
   59    HG   LEU  10           HG       LEU  10  -7.746   9.602   6.050
   60   1HD1  LEU  10          1HD1      LEU  10  -9.730  10.850   6.562
   61   2HD1  LEU  10          2HD1      LEU  10  -8.398  11.983   6.327
   62   3HD1  LEU  10          3HD1      LEU  10  -8.954  11.600   7.957
   63   1HD2  LEU  10          1HD2      LEU  10  -6.227  11.496   6.887
   64   2HD2  LEU  10          2HD2      LEU  10  -5.673   9.835   7.094
   65   3HD2  LEU  10          3HD2      LEU  10  -6.352  10.713   8.463
   66    H    SER  11           H        SER  11  -6.933   6.950   9.934
   67    HA   SER  11           HA       SER  11  -4.191   7.420   9.370
   68   1HB   SER  11          2HB       SER  11  -5.635   6.049  11.631
   69   2HB   SER  11          1HB       SER  11  -3.874   6.110  11.564
   70    HG   SER  11           HG       SER  11  -3.943   8.128  12.145
   71    H    LYS  12           H        LYS  12  -6.272   4.670   8.965
   72    HA   LYS  12           HA       LYS  12  -4.139   2.744   8.768
   73   1HB   LYS  12          2HB       LYS  12  -6.559   2.311   9.522
   74   2HB   LYS  12          1HB       LYS  12  -6.966   2.338   7.813
   75   1HG   LYS  12          2HG       LYS  12  -6.538   0.158   7.834
   76   2HG   LYS  12          1HG       LYS  12  -4.833   0.609   7.901
   77   1HD   LYS  12          2HD       LYS  12  -5.044   0.634  10.406
   78   2HD   LYS  12          1HD       LYS  12  -6.652  -0.067  10.208
   79   1HE   LYS  12          2HE       LYS  12  -4.275  -1.351   8.919
   80   2HE   LYS  12          1HE       LYS  12  -4.610  -1.622  10.627
   81   1HZ   LYS  12          1HZ       LYS  12  -6.664  -2.061   8.542
   82   2HZ   LYS  12          2HZ       LYS  12  -6.649  -2.630  10.133
   83   3HZ   LYS  12          3HZ       LYS  12  -5.575  -3.273   8.995
   84    H    GLN  13           H        GLN  13  -6.373   4.322   6.463
   85    HA   GLN  13           HA       GLN  13  -5.380   3.037   4.164
   86   1HB   GLN  13          2HB       GLN  13  -6.463   4.873   2.894
   87   2HB   GLN  13          1HB       GLN  13  -7.520   4.138   4.089
   88   1HG   GLN  13          2HG       GLN  13  -7.997   6.261   4.606
   89   2HG   GLN  13          1HG       GLN  13  -6.503   6.172   5.533
   90   1HE2  GLN  13          1HE2      GLN  13  -5.805   8.233   5.365
   91   2HE2  GLN  13          2HE2      GLN  13  -5.425   9.017   3.872
   92    H    MET  14           H        MET  14  -4.405   6.054   5.745
   93    HA   MET  14           HA       MET  14  -2.557   6.820   3.720
   94   1HB   MET  14          2HB       MET  14  -1.741   8.459   5.332
   95   2HB   MET  14          1HB       MET  14  -3.497   8.445   5.300
   96   1HG   MET  14          2HG       MET  14  -3.447   8.270   7.501
   97   2HG   MET  14          1HG       MET  14  -2.828   6.634   7.294
   98   1HE   MET  14          1HE       MET  14  -2.227  10.259   7.755
   99   2HE   MET  14          2HE       MET  14  -0.624  10.420   8.471
  100   3HE   MET  14          3HE       MET  14  -1.954   9.763   9.424
  101    H    GLU  15           H        GLU  15  -2.352   4.795   6.579
  102    HA   GLU  15           HA       GLU  15   0.488   4.642   6.687
  103   1HB   GLU  15          2HB       GLU  15  -1.792   3.271   7.982
  104   2HB   GLU  15          1HB       GLU  15  -0.305   2.338   7.879
  105   1HG   GLU  15          2HG       GLU  15  -0.355   5.129   8.975
  106   2HG   GLU  15          1HG       GLU  15  -0.691   3.718   9.978
  107    H    GLU  16           H        GLU  16  -2.027   2.677   5.155
  108    HA   GLU  16           HA       GLU  16  -0.467   0.528   4.302
  109   1HB   GLU  16          2HB       GLU  16  -2.955   1.798   3.176
  110   2HB   GLU  16          1HB       GLU  16  -2.216   0.393   2.421
  111   1HG   GLU  16          2HG       GLU  16  -2.697  -0.988   4.221
  112   2HG   GLU  16          1HG       GLU  16  -2.910   0.366   5.328
  113    H    GLU  17           H        GLU  17  -1.016   3.686   2.800
  114    HA   GLU  17           HA       GLU  17   0.238   3.184   0.341
  115   1HB   GLU  17          2HB       GLU  17  -1.189   5.210   1.129
  116   2HB   GLU  17          1HB       GLU  17   0.345   5.870   1.674
  117   1HG   GLU  17          2HG       GLU  17   1.176   6.063  -0.478
  118   2HG   GLU  17          1HG       GLU  17   0.032   4.890  -1.132
  119    H    ALA  18           H        ALA  18   1.536   4.279   3.438
  120    HA   ALA  18           HA       ALA  18   4.157   4.851   2.537
  121   1HB   ALA  18          1HB       ALA  18   3.030   5.543   4.734
  122   2HB   ALA  18          2HB       ALA  18   4.740   5.110   4.785
  123   3HB   ALA  18          3HB       ALA  18   3.522   3.956   5.330
  124    H    VAL  19           H        VAL  19   2.711   1.919   3.942
  125    HA   VAL  19           HA       VAL  19   5.081   0.397   4.096
  126    HB   VAL  19           HB       VAL  19   2.278  -0.656   3.653
  127   1HG1  VAL  19          1HG1      VAL  19   3.806  -2.351   5.309
  128   2HG1  VAL  19          2HG1      VAL  19   4.813  -1.955   3.916
  129   3HG1  VAL  19          3HG1      VAL  19   3.217  -2.666   3.678
  130   1HG2  VAL  19          1HG2      VAL  19   1.960   0.530   5.583
  131   2HG2  VAL  19          2HG2      VAL  19   3.648   0.403   6.072
  132   3HG2  VAL  19          3HG2      VAL  19   2.571  -0.980   6.257
  133    H    ARG  20           H        ARG  20   2.613   0.655   1.547
  134    HA   ARG  20           HA       ARG  20   3.730  -1.230  -0.221
  135   1HB   ARG  20          2HB       ARG  20   1.539   0.584  -0.220
  136   2HB   ARG  20          1HB       ARG  20   2.452   0.869  -1.696
  137   1HG   ARG  20          2HG       ARG  20   2.019  -1.961  -1.123
  138   2HG   ARG  20          1HG       ARG  20   0.529  -1.043  -1.350
  139   1HD   ARG  20          2HD       ARG  20   1.531  -0.132  -3.466
  140   2HD   ARG  20          1HD       ARG  20   2.849  -1.285  -3.258
  141    HE   ARG  20           HE       ARG  20   0.415  -2.673  -3.145
  142   1HH1  ARG  20          1HH1      ARG  20   2.382  -0.933  -5.460
  143   2HH1  ARG  20          2HH1      ARG  20   1.810  -1.845  -6.816
  144   1HH2  ARG  20          1HH2      ARG  20  -0.337  -3.871  -4.936
  145   2HH2  ARG  20          2HH2      ARG  20   0.266  -3.513  -6.521
  146    H    LEU  21           H        LEU  21   4.272   2.253   0.174
  147    HA   LEU  21           HA       LEU  21   5.945   2.574  -2.090
  148   1HB   LEU  21          2HB       LEU  21   4.932   4.211  -0.002
  149   2HB   LEU  21          1HB       LEU  21   6.673   4.398  -0.001
  150    HG   LEU  21           HG       LEU  21   5.594   6.111  -1.363
  151   1HD1  LEU  21          1HD1      LEU  21   6.806   5.592  -3.546
  152   2HD1  LEU  21          2HD1      LEU  21   7.304   4.087  -2.773
  153   3HD1  LEU  21          3HD1      LEU  21   7.774   5.636  -2.073
  154   1HD2  LEU  21          1HD2      LEU  21   4.655   3.856  -3.130
  155   2HD2  LEU  21          2HD2      LEU  21   4.384   5.583  -3.371
  156   3HD2  LEU  21          3HD2      LEU  21   3.624   4.752  -2.012
  157    H    PHE  22           H        PHE  22   6.608   1.927   1.334
  158    HA   PHE  22           HA       PHE  22   9.425   1.946   1.162
  159   1HB   PHE  22          2HB       PHE  22   8.397   2.112   3.317
  160   2HB   PHE  22          1HB       PHE  22   7.510   0.611   3.083
  161    HD1  PHE  22           1HD      PHE  22   8.281  -1.243   4.164
  162    HD2  PHE  22           2HD      PHE  22  11.047   1.817   3.112
  163    HE1  PHE  22           1HE      PHE  22  10.082  -2.487   5.291
  164    HE2  PHE  22           2HE      PHE  22  12.852   0.579   4.238
  165    HZ   PHE  22           HZ       PHE  22  12.370  -1.575   5.328
  166    H    ILE  23           H        ILE  23   7.026  -0.638   0.798
  167    HA   ILE  23           HA       ILE  23   8.816  -2.795   0.523
  168    HB   ILE  23           HB       ILE  23   5.998  -2.383  -0.479
  169   1HG1  ILE  23          2HG1      ILE  23   6.931  -4.362   1.581
  170   2HG1  ILE  23          1HG1      ILE  23   6.652  -2.680   2.019
  171   1HG2  ILE  23          1HG2      ILE  23   7.665  -4.889  -0.674
  172   2HG2  ILE  23          2HG2      ILE  23   7.065  -3.919  -2.019
  173   3HG2  ILE  23          3HG2      ILE  23   5.931  -4.788  -0.987
  174   1HD1  ILE  23          1HD1      ILE  23   4.498  -4.085   0.554
  175   2HD1  ILE  23          2HD1      ILE  23   4.402  -2.861   1.820
  176   3HD1  ILE  23          3HD1      ILE  23   4.780  -4.532   2.237
  177    H    GLU  24           H        GLU  24   7.283  -0.678  -1.902
  178    HA   GLU  24           HA       GLU  24   8.432  -1.895  -4.174
  179   1HB   GLU  24          2HB       GLU  24   6.499  -0.160  -3.996
  180   2HB   GLU  24          1HB       GLU  24   7.785   1.038  -4.050
  181   1HG   GLU  24          2HG       GLU  24   7.005   0.792  -6.258
  182   2HG   GLU  24          1HG       GLU  24   8.556  -0.044  -6.184
  183    H    TRP  25           H        TRP  25   9.516   0.679  -2.027
  184    HA   TRP  25           HA       TRP  25  11.746   1.562  -3.487
  185   1HB   TRP  25          2HB       TRP  25  10.884   2.856  -1.635
  186   2HB   TRP  25          1HB       TRP  25  11.199   1.539  -0.510
  187    HD1  TRP  25           HD       TRP  25  13.186   3.994  -2.758
  188    HE1  TRP  25           1HE      TRP  25  15.438   4.468  -1.608
  189    HE3  TRP  25           3HE      TRP  25  12.753   0.805   1.212
  190    HZ2  TRP  25           2HZ      TRP  25  16.847   3.604   0.681
  191    HZ3  TRP  25           3HZ      TRP  25  14.599   0.687   2.837
  192    HH2  TRP  25           HH       TRP  25  16.604   2.060   2.574
  193    H    LEU  26           H        LEU  26  11.394  -0.998  -1.046
  194    HA   LEU  26           HA       LEU  26  14.143  -1.716  -0.970
  195   1HB   LEU  26          2HB       LEU  26  11.635  -3.200  -0.198
  196   2HB   LEU  26          1HB       LEU  26  13.240  -3.872   0.020
  197    HG   LEU  26           HG       LEU  26  12.255  -1.320   1.300
  198   1HD1  LEU  26          1HD1      LEU  26  11.072  -2.886   2.472
  199   2HD1  LEU  26          2HD1      LEU  26  12.589  -2.914   3.370
  200   3HD1  LEU  26          3HD1      LEU  26  12.250  -4.164   2.173
  201   1HD2  LEU  26          1HD2      LEU  26  14.291  -1.557   2.679
  202   2HD2  LEU  26          2HD2      LEU  26  14.649  -1.291   0.973
  203   3HD2  LEU  26          3HD2      LEU  26  14.795  -2.907   1.662
  204    H    LYS  27           H        LYS  27  11.371  -2.855  -2.845
  205    HA   LYS  27           HA       LYS  27  12.618  -5.069  -4.067
  206   1HB   LYS  27          2HB       LYS  27  10.224  -3.387  -4.697
  207   2HB   LYS  27          1HB       LYS  27  10.807  -4.529  -5.899
  208   1HG   LYS  27          2HG       LYS  27  10.743  -6.066  -3.644
  209   2HG   LYS  27          1HG       LYS  27   9.361  -4.995  -3.405
  210   1HD   LYS  27          2HD       LYS  27   8.623  -5.594  -5.731
  211   2HD   LYS  27          1HD       LYS  27   9.894  -6.817  -5.747
  212   1HE   LYS  27          2HE       LYS  27   7.918  -6.750  -3.505
  213   2HE   LYS  27          1HE       LYS  27   7.463  -7.462  -5.053
  214   1HZ   LYS  27          1HZ       LYS  27   8.305  -9.165  -3.623
  215   2HZ   LYS  27          2HZ       LYS  27   9.721  -8.293  -3.313
  216   3HZ   LYS  27          3HZ       LYS  27   9.433  -8.914  -4.860
  217    H    ASN  28           H        ASN  28  12.674  -1.644  -4.785
  218    HA   ASN  28           HA       ASN  28  13.841  -1.970  -7.401
  219   1HB   ASN  28          2HB       ASN  28  12.402   0.014  -6.262
  220   2HB   ASN  28          1HB       ASN  28  14.026   0.638  -6.016
  221   1HD2  ASN  28          1HD2      ASN  28  11.468   0.637  -8.063
  222   2HD2  ASN  28          2HD2      ASN  28  12.268   1.064  -9.533
  223    H    GLY  29           H        GLY  29  15.114  -2.505  -4.422
  224   1HA   GLY  29          2HA       GLY  29  17.507  -3.104  -4.456
  225   2HA   GLY  29          1HA       GLY  29  17.790  -1.561  -5.243
  226    H    GLY  30           H        GLY  30  15.424  -1.017  -2.977
  227   1HA   GLY  30          2HA       GLY  30  15.401  -0.018  -0.916
  228   2HA   GLY  30          1HA       GLY  30  16.812  -0.994  -0.538
  229    HA   PRO  31           HA       PRO  31  18.647   3.101  -0.076
  230   1HB   PRO  31          2HB       PRO  31  21.084   1.469   0.348
  231   2HB   PRO  31          1HB       PRO  31  20.369   2.716   1.375
  232   1HG   PRO  31          2HG       PRO  31  20.212   0.128   2.024
  233   2HG   PRO  31          1HG       PRO  31  18.874   1.246   2.350
  234   1HD   PRO  31          2HD       PRO  31  19.164  -0.790   0.179
  235   2HD   PRO  31          1HD       PRO  31  17.725  -0.335   1.116
  236    H    SER  32           H        SER  32  19.845   0.462  -2.091
  237    HA   SER  32           HA       SER  32  21.441   2.332  -3.683
  238   1HB   SER  32          2HB       SER  32  22.212  -0.033  -2.848
  239   2HB   SER  32          1HB       SER  32  21.301  -0.610  -4.242
  240    HG   SER  32           HG       SER  32  23.405  -0.242  -4.883
  241    H    SER  33           H        SER  33  18.498   2.382  -3.781
  242    HA   SER  33           HA       SER  33  17.879   1.301  -6.417
  243   1HB   SER  33          2HB       SER  33  16.109   0.943  -4.896
  244   2HB   SER  33          1HB       SER  33  16.213   2.582  -4.255
  245    HG   SER  33           HG       SER  33  15.425   1.931  -6.903
  246    H    GLY  34           H        GLY  34  18.219   4.419  -4.775
  247   1HA   GLY  34          2HA       GLY  34  19.304   5.994  -6.572
  248   2HA   GLY  34          1HA       GLY  34  17.708   5.844  -7.285
  249    H    ALA  35           H        ALA  35  16.118   5.894  -5.026
  250    HA   ALA  35           HA       ALA  35  16.571   8.636  -4.044
  251   1HB   ALA  35          1HB       ALA  35  13.866   7.494  -3.809
  252   2HB   ALA  35          2HB       ALA  35  14.439   7.759  -5.456
  253   3HB   ALA  35          3HB       ALA  35  14.382   9.103  -4.315
  254    HA   PRO  36           HA       PRO  36  16.659   7.319   0.170
  255   1HB   PRO  36          2HB       PRO  36  15.015   9.077   1.446
  256   2HB   PRO  36          1HB       PRO  36  16.620   9.510   0.850
  257   1HG   PRO  36          2HG       PRO  36  13.943  10.000  -0.393
  258   2HG   PRO  36          1HG       PRO  36  15.339  11.087  -0.275
  259   1HD   PRO  36          2HD       PRO  36  14.745   9.732  -2.536
  260   2HD   PRO  36          1HD       PRO  36  16.414  10.104  -2.061
  261    HA   PRO  37           HA       PRO  37  13.323   4.610   1.192
  262   1HB   PRO  37          2HB       PRO  37  13.251   4.731   3.921
  263   2HB   PRO  37          1HB       PRO  37  14.482   3.849   3.011
  264   1HG   PRO  37          2HG       PRO  37  14.626   6.570   4.248
  265   2HG   PRO  37          1HG       PRO  37  15.843   5.279   4.235
  266   1HD   PRO  37          2HD       PRO  37  15.985   7.397   2.572
  267   2HD   PRO  37          1HD       PRO  37  16.536   5.781   2.088
  268    HA   PRO  38           HA       PRO  38   9.840   7.422   1.590
  269   1HB   PRO  38          2HB       PRO  38   7.921   5.658   0.883
  270   2HB   PRO  38          1HB       PRO  38   9.018   6.384  -0.297
  271   1HG   PRO  38          2HG       PRO  38   9.105   3.679   0.962
  272   2HG   PRO  38          1HG       PRO  38   9.435   4.144  -0.715
  273   1HD   PRO  38          2HD       PRO  38  11.384   3.659   1.150
  274   2HD   PRO  38          1HD       PRO  38  11.598   4.724  -0.251
  275    H    SER  39           H        SER  39   9.546   7.882   3.717
  276    HA   SER  39           HA       SER  39   8.518   7.850   5.747
  277   1HB   SER  39          2HB       SER  39   6.682   6.596   4.357
  278   2HB   SER  39          1HB       SER  39   7.258   5.178   5.232
  279    HG   SER  39           HG       SER  39   5.482   6.493   6.196
  Start of MODEL   28
    1   1H    HIS   1          1HT       HIS   1  -7.746  10.547  23.031
    2   2H    HIS   1          2HT       HIS   1  -6.874   9.822  21.743
    3   3H    HIS   1          3HT       HIS   1  -8.582   9.967  21.652
    4    HA   HIS   1           HA       HIS   1  -8.351  12.369  21.708
    5   1HB   HIS   1          2HB       HIS   1  -5.462  11.551  21.779
    6   2HB   HIS   1          1HB       HIS   1  -5.921  13.081  21.039
    7    HD1  HIS   1           1HD      HIS   1  -7.920  14.218  22.948
    8    HD2  HIS   1           2HD      HIS   1  -4.528  12.187  24.229
    9    HE1  HIS   1           1HE      HIS   1  -7.512  15.007  25.299
   10    HE2  HIS   1           2HE      HIS   1  -5.395  13.844  26.015
   11    H    GLY   2           H        GLY   2  -6.040  10.427  19.773
   12   1HA   GLY   2          2HA       GLY   2  -7.388  11.430  17.349
   13   2HA   GLY   2          1HA       GLY   2  -5.722  10.877  17.419
   14    H    GLU   3           H        GLU   3  -8.868   9.490  18.405
   15    HA   GLU   3           HA       GLU   3  -8.800   7.455  16.416
   16   1HB   GLU   3          2HB       GLU   3  -7.089   6.864  18.413
   17   2HB   GLU   3          1HB       GLU   3  -8.568   6.201  19.093
   18   1HG   GLU   3          2HG       GLU   3  -7.599   4.413  17.972
   19   2HG   GLU   3          1HG       GLU   3  -8.848   4.989  16.867
   20    H    GLY   4           H        GLY   4 -10.712   6.265  16.309
   21   1HA   GLY   4          2HA       GLY   4 -12.715   5.447  17.468
   22   2HA   GLY   4          1HA       GLY   4 -12.756   6.980  18.319
   23    H    THR   5           H        THR   5 -13.965   5.226  15.743
   24    HA   THR   5           HA       THR   5 -15.506   5.667  14.144
   25    HB   THR   5           HB       THR   5 -15.683   8.472  15.251
   26    HG1  THR   5           1HG      THR   5 -16.343   7.530  16.999
   27   1HG2  THR   5          1HG2      THR   5 -17.616   6.750  13.730
   28   2HG2  THR   5          2HG2      THR   5 -16.957   8.319  13.267
   29   3HG2  THR   5          3HG2      THR   5 -18.089   8.200  14.614
   30    H    PHE   6           H        PHE   6 -14.376   5.512  12.297
   31    HA   PHE   6           HA       PHE   6 -13.406   6.117  10.339
   32   1HB   PHE   6          2HB       PHE   6 -15.170   8.168  10.956
   33   2HB   PHE   6          1HB       PHE   6 -13.672   9.002  10.562
   34    HD1  PHE   6           1HD      PHE   6 -15.874   6.290   9.260
   35    HD2  PHE   6           2HD      PHE   6 -13.228   9.500   8.357
   36    HE1  PHE   6           1HE      PHE   6 -16.357   6.009   6.862
   37    HE2  PHE   6           2HE      PHE   6 -13.707   9.225   5.961
   38    HZ   PHE   6           HZ       PHE   6 -15.273   7.479   5.210
   39    H    THR   7           H        THR   7 -11.942   6.545  13.103
   40    HA   THR   7           HA       THR   7  -9.741   8.187  12.062
   41    HB   THR   7           HB       THR   7  -9.912   7.275  14.915
   42    HG1  THR   7           1HG      THR   7 -11.337   8.794  15.402
   43   1HG2  THR   7          1HG2      THR   7  -7.889   8.380  14.438
   44   2HG2  THR   7          2HG2      THR   7  -8.908   9.549  15.277
   45   3HG2  THR   7          3HG2      THR   7  -8.712   9.647  13.526
   46    H    SER   8           H        SER   8 -10.429   5.099  13.648
   47    HA   SER   8           HA       SER   8  -7.761   4.134  13.558
   48   1HB   SER   8          2HB       SER   8 -10.436   2.930  14.113
   49   2HB   SER   8          1HB       SER   8  -9.088   1.847  13.765
   50    HG   SER   8           HG       SER   8  -8.097   2.465  15.569
   51    H    ASP   9           H        ASP   9 -10.572   3.679  11.455
   52    HA   ASP   9           HA       ASP   9  -9.336   1.857   9.679
   53   1HB   ASP   9          2HB       ASP   9 -11.807   2.216   9.884
   54   2HB   ASP   9          1HB       ASP   9 -11.605   3.755   9.055
   55    H    LEU  10           H        LEU  10  -9.796   5.366   9.544
   56    HA   LEU  10           HA       LEU  10  -8.591   5.792   7.043
   57   1HB   LEU  10          2HB       LEU  10  -9.576   7.403   9.217
   58   2HB   LEU  10          1HB       LEU  10  -8.054   8.053   8.639
   59    HG   LEU  10           HG       LEU  10  -9.909   9.129   7.508
   60   1HD1  LEU  10          1HD1      LEU  10  -7.716   8.448   6.317
   61   2HD1  LEU  10          2HD1      LEU  10  -9.073   9.030   5.352
   62   3HD1  LEU  10          3HD1      LEU  10  -8.737   7.302   5.451
   63   1HD2  LEU  10          1HD2      LEU  10 -11.432   7.111   7.773
   64   2HD2  LEU  10          2HD2      LEU  10 -10.663   6.474   6.319
   65   3HD2  LEU  10          3HD2      LEU  10 -11.545   7.999   6.255
   66    H    SER  11           H        SER  11  -7.231   5.692  10.313
   67    HA   SER  11           HA       SER  11  -4.623   6.518   9.666
   68   1HB   SER  11          2HB       SER  11  -5.843   4.991  11.932
   69   2HB   SER  11          1HB       SER  11  -4.086   5.029  11.783
   70    HG   SER  11           HG       SER  11  -4.073   7.124  12.219
   71    H    LYS  12           H        LYS  12  -6.147   3.332   9.685
   72    HA   LYS  12           HA       LYS  12  -3.802   1.835   9.151
   73   1HB   LYS  12          2HB       LYS  12  -5.927   0.885  10.050
   74   2HB   LYS  12          1HB       LYS  12  -6.659   1.115   8.468
   75   1HG   LYS  12          2HG       LYS  12  -5.267  -0.505   7.474
   76   2HG   LYS  12          1HG       LYS  12  -4.192  -0.548   8.873
   77   1HD   LYS  12          2HD       LYS  12  -7.027  -1.196   9.387
   78   2HD   LYS  12          1HD       LYS  12  -6.126  -2.366   8.421
   79   1HE   LYS  12          2HE       LYS  12  -5.368  -3.199  10.343
   80   2HE   LYS  12          1HE       LYS  12  -4.402  -1.732  10.497
   81   1HZ   LYS  12          1HZ       LYS  12  -5.636  -2.004  12.488
   82   2HZ   LYS  12          2HZ       LYS  12  -7.085  -2.245  11.653
   83   3HZ   LYS  12          3HZ       LYS  12  -6.350  -0.722  11.647
   84    H    GLN  13           H        GLN  13  -6.289   3.247   7.047
   85    HA   GLN  13           HA       GLN  13  -5.299   2.172   4.624
   86   1HB   GLN  13          2HB       GLN  13  -7.012   4.598   5.176
   87   2HB   GLN  13          1HB       GLN  13  -6.654   4.010   3.559
   88   1HG   GLN  13          2HG       GLN  13  -8.089   2.467   5.711
   89   2HG   GLN  13          1HG       GLN  13  -8.846   3.273   4.338
   90   1HE2  GLN  13          1HE2      GLN  13  -6.998   0.542   5.404
   91   2HE2  GLN  13          2HE2      GLN  13  -7.096  -0.360   3.935
   92    H    MET  14           H        MET  14  -4.774   5.296   6.241
   93    HA   MET  14           HA       MET  14  -3.159   6.462   4.255
   94   1HB   MET  14          2HB       MET  14  -3.425   6.922   7.218
   95   2HB   MET  14          1HB       MET  14  -2.266   7.827   6.256
   96   1HG   MET  14          2HG       MET  14  -4.131   8.586   4.814
   97   2HG   MET  14          1HG       MET  14  -5.253   7.771   5.902
   98   1HE   MET  14          1HE       MET  14  -6.514   9.196   7.680
   99   2HE   MET  14          2HE       MET  14  -5.524   9.936   8.939
  100   3HE   MET  14          3HE       MET  14  -5.270   8.249   8.495
  101    H    GLU  15           H        GLU  15  -2.305   4.560   7.135
  102    HA   GLU  15           HA       GLU  15   0.500   4.707   6.762
  103   1HB   GLU  15          2HB       GLU  15  -1.313   3.494   8.619
  104   2HB   GLU  15          1HB       GLU  15  -0.137   2.293   8.109
  105   1HG   GLU  15          2HG       GLU  15   0.750   5.009   8.983
  106   2HG   GLU  15          1HG       GLU  15   0.361   3.762  10.168
  107    H    GLU  16           H        GLU  16  -1.975   2.482   5.606
  108    HA   GLU  16           HA       GLU  16  -0.354   0.405   4.690
  109   1HB   GLU  16          2HB       GLU  16  -3.097   1.237   4.365
  110   2HB   GLU  16          1HB       GLU  16  -2.457   0.662   2.832
  111   1HG   GLU  16          2HG       GLU  16  -2.230  -0.895   5.392
  112   2HG   GLU  16          1HG       GLU  16  -3.583  -1.058   4.272
  113    H    GLU  17           H        GLU  17  -1.333   3.413   3.076
  114    HA   GLU  17           HA       GLU  17  -0.223   2.879   0.558
  115   1HB   GLU  17          2HB       GLU  17  -1.783   4.790   1.251
  116   2HB   GLU  17          1HB       GLU  17  -0.333   5.624   1.795
  117   1HG   GLU  17          2HG       GLU  17   0.364   6.071  -0.299
  118   2HG   GLU  17          1HG       GLU  17  -0.255   4.553  -0.949
  119    H    ALA  18           H        ALA  18   1.186   4.340   3.456
  120    HA   ALA  18           HA       ALA  18   3.672   5.053   2.335
  121   1HB   ALA  18          1HB       ALA  18   2.595   4.733   5.076
  122   2HB   ALA  18          2HB       ALA  18   3.432   6.096   4.337
  123   3HB   ALA  18          3HB       ALA  18   4.348   4.699   4.896
  124    H    VAL  19           H        VAL  19   2.532   2.085   3.899
  125    HA   VAL  19           HA       VAL  19   5.018   0.743   3.998
  126    HB   VAL  19           HB       VAL  19   2.270  -0.503   3.737
  127   1HG1  VAL  19          1HG1      VAL  19   4.411  -1.900   3.357
  128   2HG1  VAL  19          2HG1      VAL  19   3.182  -2.511   4.462
  129   3HG1  VAL  19          3HG1      VAL  19   4.633  -1.739   5.098
  130   1HG2  VAL  19          1HG2      VAL  19   1.867  -0.139   5.919
  131   2HG2  VAL  19          2HG2      VAL  19   3.043   1.162   5.744
  132   3HG2  VAL  19          3HG2      VAL  19   3.548  -0.403   6.380
  133    H    ARG  20           H        ARG  20   2.435   0.815   1.559
  134    HA   ARG  20           HA       ARG  20   3.506  -1.067  -0.223
  135   1HB   ARG  20          2HB       ARG  20   1.845   1.380  -0.866
  136   2HB   ARG  20          1HB       ARG  20   2.093   0.003  -1.929
  137   1HG   ARG  20          2HG       ARG  20   1.076  -0.790   0.669
  138   2HG   ARG  20          1HG       ARG  20   0.014   0.356  -0.150
  139   1HD   ARG  20          2HD       ARG  20  -0.800  -1.480  -1.157
  140   2HD   ARG  20          1HD       ARG  20   0.620  -1.319  -2.188
  141    HE   ARG  20           HE       ARG  20   1.363  -2.838   0.022
  142   1HH1  ARG  20          1HH1      ARG  20  -0.814  -3.104  -2.706
  143   2HH1  ARG  20          2HH1      ARG  20  -0.722  -4.831  -2.768
  144   1HH2  ARG  20          1HH2      ARG  20   1.482  -5.113  -0.065
  145   2HH2  ARG  20          2HH2      ARG  20   0.581  -5.972  -1.270
  146    H    LEU  21           H        LEU  21   3.993   2.448   0.007
  147    HA   LEU  21           HA       LEU  21   5.636   2.713  -2.274
  148   1HB   LEU  21          2HB       LEU  21   4.747   4.377  -0.097
  149   2HB   LEU  21          1HB       LEU  21   6.460   4.627  -0.369
  150    HG   LEU  21           HG       LEU  21   5.934   5.058  -2.788
  151   1HD1  LEU  21          1HD1      LEU  21   3.788   3.921  -2.898
  152   2HD1  LEU  21          2HD1      LEU  21   3.624   5.613  -3.366
  153   3HD1  LEU  21          3HD1      LEU  21   3.099   5.086  -1.767
  154   1HD2  LEU  21          1HD2      LEU  21   6.347   7.029  -1.731
  155   2HD2  LEU  21          2HD2      LEU  21   5.100   6.765  -0.511
  156   3HD2  LEU  21          3HD2      LEU  21   4.648   7.285  -2.133
  157    H    PHE  22           H        PHE  22   6.382   2.161   1.150
  158    HA   PHE  22           HA       PHE  22   9.186   2.204   0.937
  159   1HB   PHE  22          2HB       PHE  22   8.181   2.371   3.105
  160   2HB   PHE  22          1HB       PHE  22   7.322   0.850   2.894
  161    HD1  PHE  22           1HD      PHE  22   8.162  -1.016   3.912
  162    HD2  PHE  22           2HD      PHE  22  10.815   2.167   2.943
  163    HE1  PHE  22           1HE      PHE  22  10.001  -2.211   5.033
  164    HE2  PHE  22           2HE      PHE  22  12.658   0.979   4.061
  165    HZ   PHE  22           HZ       PHE  22  12.252  -1.212   5.108
  166    H    ILE  23           H        ILE  23   6.815  -0.401   0.588
  167    HA   ILE  23           HA       ILE  23   8.601  -2.560   0.347
  168    HB   ILE  23           HB       ILE  23   5.808  -2.154  -0.735
  169   1HG1  ILE  23          2HG1      ILE  23   6.637  -4.072   1.420
  170   2HG1  ILE  23          1HG1      ILE  23   6.384  -2.372   1.798
  171   1HG2  ILE  23          1HG2      ILE  23   7.172  -4.822  -0.608
  172   2HG2  ILE  23          2HG2      ILE  23   7.249  -3.812  -2.052
  173   3HG2  ILE  23          3HG2      ILE  23   5.689  -4.371  -1.450
  174   1HD1  ILE  23          1HD1      ILE  23   4.131  -2.500   1.485
  175   2HD1  ILE  23          2HD1      ILE  23   4.460  -4.142   2.039
  176   3HD1  ILE  23          3HD1      ILE  23   4.255  -3.817   0.319
  177    H    GLU  24           H        GLU  24   7.117  -0.456  -2.114
  178    HA   GLU  24           HA       GLU  24   8.267  -1.684  -4.371
  179   1HB   GLU  24          2HB       GLU  24   6.371  -0.010  -4.357
  180   2HB   GLU  24          1HB       GLU  24   7.573   1.245  -4.103
  181   1HG   GLU  24          2HG       GLU  24   8.357  -0.370  -6.325
  182   2HG   GLU  24          1HG       GLU  24   6.687   0.152  -6.536
  183    H    TRP  25           H        TRP  25   9.392   0.897  -2.241
  184    HA   TRP  25           HA       TRP  25  11.658   1.690  -3.696
  185   1HB   TRP  25          2HB       TRP  25  10.812   3.050  -1.889
  186   2HB   TRP  25          1HB       TRP  25  11.075   1.754  -0.728
  187    HD1  TRP  25           HD       TRP  25  13.213   4.007  -3.063
  188    HE1  TRP  25           1HE      TRP  25  15.441   4.482  -1.869
  189    HE3  TRP  25           3HE      TRP  25  12.524   1.141   1.114
  190    HZ2  TRP  25           2HZ      TRP  25  16.736   3.744   0.527
  191    HZ3  TRP  25           3HZ      TRP  25  14.305   1.082   2.810
  192    HH2  TRP  25           HH       TRP  25  16.369   2.357   2.520
  193    H    LEU  26           H        LEU  26  11.225  -0.798  -1.196
  194    HA   LEU  26           HA       LEU  26  13.951  -1.564  -1.055
  195   1HB   LEU  26          2HB       LEU  26  11.393  -2.969  -0.307
  196   2HB   LEU  26          1HB       LEU  26  12.968  -3.705  -0.072
  197    HG   LEU  26           HG       LEU  26  11.975  -1.162   1.220
  198   1HD1  LEU  26          1HD1      LEU  26  10.953  -2.839   2.410
  199   2HD1  LEU  26          2HD1      LEU  26  12.480  -2.692   3.278
  200   3HD1  LEU  26          3HD1      LEU  26  12.251  -3.994   2.111
  201   1HD2  LEU  26          1HD2      LEU  26  14.371  -1.039   0.723
  202   2HD2  LEU  26          2HD2      LEU  26  14.619  -2.582   1.545
  203   3HD2  LEU  26          3HD2      LEU  26  14.074  -1.173   2.458
  204    H    LYS  27           H        LYS  27  11.202  -2.739  -2.954
  205    HA   LYS  27           HA       LYS  27  12.461  -4.968  -4.122
  206   1HB   LYS  27          2HB       LYS  27  10.105  -3.267  -4.826
  207   2HB   LYS  27          1HB       LYS  27  10.717  -4.398  -6.026
  208   1HG   LYS  27          2HG       LYS  27  10.526  -6.176  -4.218
  209   2HG   LYS  27          1HG       LYS  27   9.579  -4.991  -3.315
  210   1HD   LYS  27          2HD       LYS  27   8.486  -4.954  -5.872
  211   2HD   LYS  27          1HD       LYS  27   8.808  -6.660  -5.556
  212   1HE   LYS  27          2HE       LYS  27   7.432  -4.937  -3.525
  213   2HE   LYS  27          1HE       LYS  27   6.532  -5.676  -4.846
  214   1HZ   LYS  27          1HZ       LYS  27   6.816  -7.754  -4.002
  215   2HZ   LYS  27          2HZ       LYS  27   6.843  -6.885  -2.551
  216   3HZ   LYS  27          3HZ       LYS  27   8.293  -7.395  -3.256
  217    H    ASN  28           H        ASN  28  12.471  -1.551  -4.954
  218    HA   ASN  28           HA       ASN  28  13.679  -1.832  -7.514
  219   1HB   ASN  28          2HB       ASN  28  12.446   0.199  -6.188
  220   2HB   ASN  28          1HB       ASN  28  14.127   0.667  -6.013
  221   1HD2  ASN  28          1HD2      ASN  28  11.433   0.622  -8.039
  222   2HD2  ASN  28          2HD2      ASN  28  12.197   1.195  -9.481
  223    H    GLY  29           H        GLY  29  14.882  -1.857  -4.268
  224   1HA   GLY  29          2HA       GLY  29  17.264  -2.922  -4.463
  225   2HA   GLY  29          1HA       GLY  29  17.632  -1.339  -5.130
  226    H    GLY  30           H        GLY  30  15.450  -0.341  -3.093
  227   1HA   GLY  30          2HA       GLY  30  15.377   0.395  -0.916
  228   2HA   GLY  30          1HA       GLY  30  16.661  -0.743  -0.534
  229    HA   PRO  31           HA       PRO  31  18.790   3.206   0.156
  230   1HB   PRO  31          2HB       PRO  31  20.949   1.341   0.952
  231   2HB   PRO  31          1HB       PRO  31  20.249   2.697   1.839
  232   1HG   PRO  31          2HG       PRO  31  19.714   0.171   2.528
  233   2HG   PRO  31          1HG       PRO  31  18.476   1.437   2.630
  234   1HD   PRO  31          2HD       PRO  31  18.840  -0.702   0.570
  235   2HD   PRO  31          1HD       PRO  31  17.345  -0.069   1.289
  236    H    SER  32           H        SER  32  19.962   0.372  -1.589
  237    HA   SER  32           HA       SER  32  21.896   2.031  -3.040
  238   1HB   SER  32          2HB       SER  32  22.384  -0.316  -1.931
  239   2HB   SER  32          1HB       SER  32  21.701  -0.925  -3.440
  240    HG   SER  32           HG       SER  32  24.133  -0.287  -3.137
  241    H    SER  33           H        SER  33  18.895   1.983  -3.505
  242    HA   SER  33           HA       SER  33  18.681   0.807  -6.155
  243   1HB   SER  33          2HB       SER  33  16.741   0.599  -4.713
  244   2HB   SER  33          1HB       SER  33  16.672   2.344  -4.485
  245    HG   SER  33           HG       SER  33  16.287   0.945  -6.926
  246    H    GLY  34           H        GLY  34  18.823   4.014  -4.665
  247   1HA   GLY  34          2HA       GLY  34  20.162   5.449  -6.432
  248   2HA   GLY  34          1HA       GLY  34  18.634   5.304  -7.282
  249    H    ALA  35           H        ALA  35  16.836   5.535  -5.218
  250    HA   ALA  35           HA       ALA  35  17.287   8.311  -4.338
  251   1HB   ALA  35          1HB       ALA  35  14.530   7.346  -4.261
  252   2HB   ALA  35          2HB       ALA  35  15.245   7.322  -5.872
  253   3HB   ALA  35          3HB       ALA  35  15.199   8.824  -4.953
  254    HA   PRO  36           HA       PRO  36  16.936   7.217  -0.076
  255   1HB   PRO  36          2HB       PRO  36  15.366   9.186   0.955
  256   2HB   PRO  36          1HB       PRO  36  17.043   9.448   0.458
  257   1HG   PRO  36          2HG       PRO  36  14.510  10.070  -1.010
  258   2HG   PRO  36          1HG       PRO  36  15.982  11.046  -0.850
  259   1HD   PRO  36          2HD       PRO  36  15.431   9.587  -3.064
  260   2HD   PRO  36          1HD       PRO  36  17.087   9.876  -2.498
  261    HA   PRO  37           HA       PRO  37  13.295   4.880   0.821
  262   1HB   PRO  37          2HB       PRO  37  12.997   5.201   3.512
  263   2HB   PRO  37          1HB       PRO  37  14.240   4.180   2.786
  264   1HG   PRO  37          2HG       PRO  37  14.462   6.981   3.820
  265   2HG   PRO  37          1HG       PRO  37  15.568   5.613   4.052
  266   1HD   PRO  37          2HD       PRO  37  16.064   7.542   2.245
  267   2HD   PRO  37          1HD       PRO  37  16.500   5.846   1.944
  268    HA   PRO  38           HA       PRO  38   9.924   7.791   0.667
  269   1HB   PRO  38          2HB       PRO  38   7.885   6.003   0.618
  270   2HB   PRO  38          1HB       PRO  38   8.927   6.303  -0.778
  271   1HG   PRO  38          2HG       PRO  38   9.031   4.087   1.228
  272   2HG   PRO  38          1HG       PRO  38   9.217   4.011  -0.535
  273   1HD   PRO  38          2HD       PRO  38  11.326   3.973   1.170
  274   2HD   PRO  38          1HD       PRO  38  11.415   4.675  -0.457
  275    H    SER  39           H        SER  39   9.427   8.949   2.424
  276    HA   SER  39           HA       SER  39   8.917   7.685   4.975
  277   1HB   SER  39          2HB       SER  39   9.008  10.578   4.104
  278   2HB   SER  39          1HB       SER  39   8.620  10.081   5.750
  279    HG   SER  39           HG       SER  39  11.043   9.891   4.350
  Start of MODEL   29
    1   1H    HIS   1          1HT       HIS   1 -25.314   3.016  17.039
    2   2H    HIS   1          2HT       HIS   1 -24.783   2.126  15.671
    3   3H    HIS   1          3HT       HIS   1 -26.203   1.649  16.508
    4    HA   HIS   1           HA       HIS   1 -26.712   2.753  14.459
    5   1HB   HIS   1          2HB       HIS   1 -27.531   3.599  17.145
    6   2HB   HIS   1          1HB       HIS   1 -27.858   4.808  15.908
    7    HD1  HIS   1           1HD      HIS   1 -29.136   3.656  13.687
    8    HD2  HIS   1           2HD      HIS   1 -29.549   1.827  17.395
    9    HE1  HIS   1           1HE      HIS   1 -31.180   2.204  13.496
   10    HE2  HIS   1           2HE      HIS   1 -31.362   1.042  15.724
   11    H    GLY   2           H        GLY   2 -26.030   4.138  12.957
   12   1HA   GLY   2          2HA       GLY   2 -24.959   5.897  11.945
   13   2HA   GLY   2          1HA       GLY   2 -25.277   6.805  13.416
   14    H    GLU   3           H        GLU   3 -23.216   3.993  12.645
   15    HA   GLU   3           HA       GLU   3 -21.003   5.341  14.032
   16   1HB   GLU   3          2HB       GLU   3 -21.316   2.420  13.311
   17   2HB   GLU   3          1HB       GLU   3 -19.994   3.116  14.236
   18   1HG   GLU   3          2HG       GLU   3 -22.884   3.100  15.080
   19   2HG   GLU   3          1HG       GLU   3 -21.648   1.979  15.644
   20    H    GLY   4           H        GLY   4 -18.866   5.238  13.138
   21   1HA   GLY   4          2HA       GLY   4 -18.577   4.483  10.344
   22   2HA   GLY   4          1HA       GLY   4 -18.449   6.203  10.675
   23    H    THR   5           H        THR   5 -16.992   6.478  12.850
   24    HA   THR   5           HA       THR   5 -14.886   6.484  13.689
   25    HB   THR   5           HB       THR   5 -14.553   3.682  12.617
   26    HG1  THR   5           1HG      THR   5 -15.935   4.519  14.948
   27   1HG2  THR   5          1HG2      THR   5 -13.104   3.294  14.401
   28   2HG2  THR   5          2HG2      THR   5 -13.614   4.755  15.250
   29   3HG2  THR   5          3HG2      THR   5 -12.640   4.881  13.785
   30    H    PHE   6           H        PHE   6 -14.377   8.075  12.075
   31    HA   PHE   6           HA       PHE   6 -12.878   7.147   9.743
   32   1HB   PHE   6          2HB       PHE   6 -14.393   9.540  10.443
   33   2HB   PHE   6          1HB       PHE   6 -12.844   9.914   9.697
   34    HD1  PHE   6           1HD      PHE   6 -15.666   7.516   9.192
   35    HD2  PHE   6           2HD      PHE   6 -12.848  10.172   7.426
   36    HE1  PHE   6           1HE      PHE   6 -16.623   7.052   6.973
   37    HE2  PHE   6           2HE      PHE   6 -13.802   9.713   5.205
   38    HZ   PHE   6           HZ       PHE   6 -15.693   8.152   4.977
   39    H    THR   7           H        THR   7 -12.004   7.383  12.780
   40    HA   THR   7           HA       THR   7  -9.537   8.905  12.329
   41    HB   THR   7           HB       THR   7 -10.517   7.832  14.972
   42    HG1  THR   7           1HG      THR   7 -11.096  10.327  13.751
   43   1HG2  THR   7          1HG2      THR   7  -8.136   9.028  14.332
   44   2HG2  THR   7          2HG2      THR   7  -8.858   8.946  15.939
   45   3HG2  THR   7          3HG2      THR   7  -9.109  10.372  14.932
   46    H    SER   8           H        SER   8 -10.753   5.727  13.250
   47    HA   SER   8           HA       SER   8  -8.076   4.653  13.563
   48   1HB   SER   8          2HB       SER   8 -10.802   3.360  13.765
   49   2HB   SER   8          1HB       SER   8  -9.283   2.506  14.029
   50    HG   SER   8           HG       SER   8  -9.150   3.374  15.939
   51    H    ASP   9           H        ASP   9 -10.848   4.188  11.396
   52    HA   ASP   9           HA       ASP   9  -9.579   2.299   9.713
   53   1HB   ASP   9          2HB       ASP   9 -12.034   3.994   9.505
   54   2HB   ASP   9          1HB       ASP   9 -11.441   3.170   8.066
   55    H    LEU  10           H        LEU  10 -10.104   5.793   9.350
   56    HA   LEU  10           HA       LEU  10  -8.853   6.062   6.850
   57   1HB   LEU  10          2HB       LEU  10 -10.245   7.733   8.424
   58   2HB   LEU  10          1HB       LEU  10  -8.625   8.306   8.773
   59    HG   LEU  10           HG       LEU  10  -9.585   8.021   5.941
   60   1HD1  LEU  10          1HD1      LEU  10 -11.146   9.559   6.360
   61   2HD1  LEU  10          2HD1      LEU  10  -9.804  10.693   6.498
   62   3HD1  LEU  10          3HD1      LEU  10 -10.479   9.945   7.944
   63   1HD2  LEU  10          1HD2      LEU  10  -7.470   8.625   5.590
   64   2HD2  LEU  10          2HD2      LEU  10  -7.216   9.008   7.292
   65   3HD2  LEU  10          3HD2      LEU  10  -7.917  10.214   6.212
   66    H    SER  11           H        SER  11  -7.556   6.198  10.143
   67    HA   SER  11           HA       SER  11  -4.951   7.045   9.454
   68   1HB   SER  11          2HB       SER  11  -5.848   7.155  11.756
   69   2HB   SER  11          1HB       SER  11  -5.820   5.393  11.839
   70    HG   SER  11           HG       SER  11  -3.743   7.216  12.004
   71    H    LYS  12           H        LYS  12  -6.410   3.841   9.768
   72    HA   LYS  12           HA       LYS  12  -4.012   2.365   9.441
   73   1HB   LYS  12          2HB       LYS  12  -6.860   1.794   9.634
   74   2HB   LYS  12          1HB       LYS  12  -6.060   0.745   8.472
   75   1HG   LYS  12          2HG       LYS  12  -5.077   1.150  11.284
   76   2HG   LYS  12          1HG       LYS  12  -6.191  -0.134  10.812
   77   1HD   LYS  12          2HD       LYS  12  -4.396  -0.704   9.032
   78   2HD   LYS  12          1HD       LYS  12  -3.319   0.256  10.048
   79   1HE   LYS  12          2HE       LYS  12  -4.952  -1.757  11.453
   80   2HE   LYS  12          1HE       LYS  12  -3.731  -2.396  10.356
   81   1HZ   LYS  12          1HZ       LYS  12  -2.110  -0.918  11.532
   82   2HZ   LYS  12          2HZ       LYS  12  -2.729  -2.182  12.470
   83   3HZ   LYS  12          3HZ       LYS  12  -3.311  -0.609  12.684
   84    H    GLN  13           H        GLN  13  -6.450   3.544   7.161
   85    HA   GLN  13           HA       GLN  13  -5.408   2.234   4.874
   86   1HB   GLN  13          2HB       GLN  13  -7.496   4.172   5.465
   87   2HB   GLN  13          1HB       GLN  13  -6.679   4.532   3.951
   88   1HG   GLN  13          2HG       GLN  13  -7.565   1.741   4.469
   89   2HG   GLN  13          1HG       GLN  13  -8.769   2.953   4.034
   90   1HE2  GLN  13          1HE2      GLN  13  -9.078   1.574   2.151
   91   2HE2  GLN  13          2HE2      GLN  13  -8.036   1.774   0.785
   92    H    MET  14           H        MET  14  -4.927   5.488   6.216
   93    HA   MET  14           HA       MET  14  -3.246   6.424   4.132
   94   1HB   MET  14          2HB       MET  14  -3.773   7.327   6.950
   95   2HB   MET  14          1HB       MET  14  -2.534   8.103   5.972
   96   1HG   MET  14          2HG       MET  14  -4.376   8.413   4.224
   97   2HG   MET  14          1HG       MET  14  -5.494   8.026   5.531
   98   1HE   MET  14          1HE       MET  14  -6.140  11.648   5.142
   99   2HE   MET  14          2HE       MET  14  -6.085  10.201   4.136
  100   3HE   MET  14          3HE       MET  14  -4.872  11.464   3.931
  101    H    GLU  15           H        GLU  15  -2.654   4.431   6.917
  102    HA   GLU  15           HA       GLU  15   0.211   4.849   6.888
  103   1HB   GLU  15          2HB       GLU  15  -1.397   4.208   8.897
  104   2HB   GLU  15          1HB       GLU  15  -1.058   2.573   8.348
  105   1HG   GLU  15          2HG       GLU  15   0.579   2.857   9.914
  106   2HG   GLU  15          1HG       GLU  15   1.427   3.364   8.455
  107    H    GLU  16           H        GLU  16  -2.105   2.418   5.800
  108    HA   GLU  16           HA       GLU  16  -0.273   0.392   5.131
  109   1HB   GLU  16          2HB       GLU  16  -3.076   1.042   4.299
  110   2HB   GLU  16          1HB       GLU  16  -2.195  -0.227   3.457
  111   1HG   GLU  16          2HG       GLU  16  -2.440  -0.207   6.444
  112   2HG   GLU  16          1HG       GLU  16  -3.699  -0.889   5.414
  113    H    GLU  17           H        GLU  17  -1.634   3.043   3.185
  114    HA   GLU  17           HA       GLU  17  -0.490   2.337   0.731
  115   1HB   GLU  17          2HB       GLU  17  -0.776   4.728   0.114
  116   2HB   GLU  17          1HB       GLU  17  -2.218   4.011   0.816
  117   1HG   GLU  17          2HG       GLU  17  -2.278   5.829   2.097
  118   2HG   GLU  17          1HG       GLU  17  -0.983   5.058   3.011
  119    H    ALA  18           H        ALA  18   0.854   4.090   3.468
  120    HA   ALA  18           HA       ALA  18   3.187   5.038   2.166
  121   1HB   ALA  18          1HB       ALA  18   2.143   5.739   4.439
  122   2HB   ALA  18          2HB       ALA  18   3.896   5.772   4.244
  123   3HB   ALA  18          3HB       ALA  18   3.127   4.432   5.097
  124    H    VAL  19           H        VAL  19   2.457   2.082   3.978
  125    HA   VAL  19           HA       VAL  19   5.053   1.018   4.112
  126    HB   VAL  19           HB       VAL  19   2.438  -0.493   3.898
  127   1HG1  VAL  19          1HG1      VAL  19   5.232  -1.336   4.563
  128   2HG1  VAL  19          2HG1      VAL  19   4.050  -2.108   3.505
  129   3HG1  VAL  19          3HG1      VAL  19   3.852  -2.191   5.255
  130   1HG2  VAL  19          1HG2      VAL  19   3.364   1.213   5.931
  131   2HG2  VAL  19          2HG2      VAL  19   3.581  -0.433   6.529
  132   3HG2  VAL  19          3HG2      VAL  19   1.992   0.107   5.990
  133    H    ARG  20           H        ARG  20   2.487   0.555   1.680
  134    HA   ARG  20           HA       ARG  20   3.805  -1.226  -0.003
  135   1HB   ARG  20          2HB       ARG  20   1.417  -0.625  -0.204
  136   2HB   ARG  20          1HB       ARG  20   1.872   0.967  -0.794
  137   1HG   ARG  20          2HG       ARG  20   2.986  -1.338  -2.264
  138   2HG   ARG  20          1HG       ARG  20   1.245  -1.080  -2.397
  139   1HD   ARG  20          2HD       ARG  20   1.590   1.170  -3.181
  140   2HD   ARG  20          1HD       ARG  20   3.325   1.043  -2.901
  141    HE   ARG  20           HE       ARG  20   3.539  -0.164  -4.851
  142   1HH1  ARG  20          1HH1      ARG  20   0.141   0.220  -4.091
  143   2HH1  ARG  20          2HH1      ARG  20  -0.393  -0.336  -5.640
  144   1HH2  ARG  20          1HH2      ARG  20   2.830  -0.898  -6.888
  145   2HH2  ARG  20          2HH2      ARG  20   1.133  -0.972  -7.228
  146    H    LEU  21           H        LEU  21   3.912   2.339   0.030
  147    HA   LEU  21           HA       LEU  21   5.483   2.683  -2.275
  148   1HB   LEU  21          2HB       LEU  21   4.682   4.300   0.022
  149   2HB   LEU  21          1HB       LEU  21   6.286   4.706  -0.552
  150    HG   LEU  21           HG       LEU  21   4.605   6.145  -1.568
  151   1HD1  LEU  21          1HD1      LEU  21   5.727   6.218  -3.492
  152   2HD1  LEU  21          2HD1      LEU  21   5.244   4.582  -3.942
  153   3HD1  LEU  21          3HD1      LEU  21   6.627   4.831  -2.876
  154   1HD2  LEU  21          1HD2      LEU  21   3.025   5.101  -3.239
  155   2HD2  LEU  21          2HD2      LEU  21   2.649   4.816  -1.539
  156   3HD2  LEU  21          3HD2      LEU  21   3.407   3.545  -2.500
  157    H    PHE  22           H        PHE  22   6.356   2.129   1.098
  158    HA   PHE  22           HA       PHE  22   9.163   2.330   0.770
  159   1HB   PHE  22          2HB       PHE  22   8.336   2.555   2.972
  160   2HB   PHE  22          1HB       PHE  22   7.372   1.091   2.854
  161    HD1  PHE  22           1HD      PHE  22   8.140  -0.826   3.834
  162    HD2  PHE  22           2HD      PHE  22  10.926   2.215   2.791
  163    HE1  PHE  22           1HE      PHE  22   9.938  -2.101   4.935
  164    HE2  PHE  22           2HE      PHE  22  12.729   0.948   3.889
  165    HZ   PHE  22           HZ       PHE  22  12.236  -1.212   4.963
  166    H    ILE  23           H        ILE  23   6.844  -0.314   0.470
  167    HA   ILE  23           HA       ILE  23   8.653  -2.466   0.287
  168    HB   ILE  23           HB       ILE  23   5.956  -2.196  -1.066
  169   1HG1  ILE  23          2HG1      ILE  23   5.410  -1.988   1.181
  170   2HG1  ILE  23          1HG1      ILE  23   5.308  -3.727   0.946
  171   1HG2  ILE  23          1HG2      ILE  23   6.706  -4.053  -2.095
  172   2HG2  ILE  23          2HG2      ILE  23   6.193  -4.817  -0.591
  173   3HG2  ILE  23          3HG2      ILE  23   7.891  -4.410  -0.840
  174   1HD1  ILE  23          1HD1      ILE  23   6.426  -3.082   3.040
  175   2HD1  ILE  23          2HD1      ILE  23   7.690  -2.297   2.095
  176   3HD1  ILE  23          3HD1      ILE  23   7.454  -4.040   1.974
  177    H    GLU  24           H        GLU  24   7.161  -0.423  -2.229
  178    HA   GLU  24           HA       GLU  24   8.355  -1.657  -4.452
  179   1HB   GLU  24          2HB       GLU  24   6.481   0.192  -4.257
  180   2HB   GLU  24          1HB       GLU  24   7.839   1.291  -4.446
  181   1HG   GLU  24          2HG       GLU  24   7.046   0.997  -6.607
  182   2HG   GLU  24          1HG       GLU  24   8.433  -0.088  -6.516
  183    H    TRP  25           H        TRP  25   9.452   0.962  -2.349
  184    HA   TRP  25           HA       TRP  25  11.725   1.745  -3.789
  185   1HB   TRP  25          2HB       TRP  25  10.902   3.123  -1.998
  186   2HB   TRP  25          1HB       TRP  25  11.113   1.825  -0.829
  187    HD1  TRP  25           HD       TRP  25  13.357   3.993  -3.147
  188    HE1  TRP  25           1HE      TRP  25  15.570   4.431  -1.911
  189    HE3  TRP  25           3HE      TRP  25  12.495   1.227   1.067
  190    HZ2  TRP  25           2HZ      TRP  25  16.792   3.702   0.528
  191    HZ3  TRP  25           3HZ      TRP  25  14.241   1.148   2.800
  192    HH2  TRP  25           HH       TRP  25  16.342   2.361   2.535
  193    H    LEU  26           H        LEU  26  11.277  -0.754  -1.309
  194    HA   LEU  26           HA       LEU  26  14.008  -1.526  -1.152
  195   1HB   LEU  26          2HB       LEU  26  11.457  -2.975  -0.445
  196   2HB   LEU  26          1HB       LEU  26  13.050  -3.637  -0.142
  197    HG   LEU  26           HG       LEU  26  11.947  -1.093   1.054
  198   1HD1  LEU  26          1HD1      LEU  26  10.857  -2.691   2.259
  199   2HD1  LEU  26          2HD1      LEU  26  12.376  -2.641   3.154
  200   3HD1  LEU  26          3HD1      LEU  26  12.092  -3.915   1.968
  201   1HD2  LEU  26          1HD2      LEU  26  14.436  -1.166   0.620
  202   2HD2  LEU  26          2HD2      LEU  26  14.506  -2.506   1.765
  203   3HD2  LEU  26          3HD2      LEU  26  13.949  -0.918   2.298
  204    H    LYS  27           H        LYS  27  11.260  -2.658  -3.067
  205    HA   LYS  27           HA       LYS  27  12.482  -4.910  -4.226
  206   1HB   LYS  27          2HB       LYS  27   9.989  -3.918  -4.287
  207   2HB   LYS  27          1HB       LYS  27  10.546  -3.350  -5.854
  208   1HG   LYS  27          2HG       LYS  27  11.089  -5.629  -6.508
  209   2HG   LYS  27          1HG       LYS  27  10.584  -6.214  -4.921
  210   1HD   LYS  27          2HD       LYS  27   8.649  -4.594  -6.495
  211   2HD   LYS  27          1HD       LYS  27   8.954  -6.251  -7.014
  212   1HE   LYS  27          2HE       LYS  27   7.288  -6.696  -5.550
  213   2HE   LYS  27          1HE       LYS  27   8.615  -6.674  -4.390
  214   1HZ   LYS  27          1HZ       LYS  27   6.964  -4.290  -5.029
  215   2HZ   LYS  27          2HZ       LYS  27   8.071  -4.466  -3.761
  216   3HZ   LYS  27          3HZ       LYS  27   6.625  -5.342  -3.747
  217    H    ASN  28           H        ASN  28  12.562  -1.491  -5.068
  218    HA   ASN  28           HA       ASN  28  13.798  -1.819  -7.611
  219   1HB   ASN  28          2HB       ASN  28  12.573   0.249  -6.339
  220   2HB   ASN  28          1HB       ASN  28  14.258   0.694  -6.135
  221   1HD2  ASN  28          1HD2      ASN  28  11.609   0.636  -8.231
  222   2HD2  ASN  28          2HD2      ASN  28  12.413   1.184  -9.658
  223    H    GLY  29           H        GLY  29  14.946  -1.867  -4.355
  224   1HA   GLY  29          2HA       GLY  29  17.321  -2.951  -4.515
  225   2HA   GLY  29          1HA       GLY  29  17.715  -1.368  -5.165
  226    H    GLY  30           H        GLY  30  15.496  -0.371  -3.159
  227   1HA   GLY  30          2HA       GLY  30  15.388   0.343  -0.975
  228   2HA   GLY  30          1HA       GLY  30  16.668  -0.795  -0.582
  229    HA   PRO  31           HA       PRO  31  18.784   3.147   0.165
  230   1HB   PRO  31          2HB       PRO  31  20.939   1.289   0.985
  231   2HB   PRO  31          1HB       PRO  31  20.205   2.627   1.875
  232   1HG   PRO  31          2HG       PRO  31  19.688   0.081   2.515
  233   2HG   PRO  31          1HG       PRO  31  18.441   1.336   2.624
  234   1HD   PRO  31          2HD       PRO  31  18.840  -0.768   0.537
  235   2HD   PRO  31          1HD       PRO  31  17.332  -0.148   1.244
  236    H    SER  32           H        SER  32  20.001   0.324  -1.574
  237    HA   SER  32           HA       SER  32  21.973   1.974  -2.969
  238   1HB   SER  32          2HB       SER  32  22.552  -0.403  -3.931
  239   2HB   SER  32          1HB       SER  32  23.064   0.045  -2.306
  240    HG   SER  32           HG       SER  32  21.704  -1.360  -1.484
  241    H    SER  33           H        SER  33  18.897   1.798  -3.455
  242    HA   SER  33           HA       SER  33  18.732   0.750  -6.136
  243   1HB   SER  33          2HB       SER  33  16.754   0.585  -4.755
  244   2HB   SER  33          1HB       SER  33  16.751   2.324  -4.470
  245    HG   SER  33           HG       SER  33  16.352   1.019  -6.963
  246    H    GLY  34           H        GLY  34  18.923   3.940  -4.618
  247   1HA   GLY  34          2HA       GLY  34  20.350   5.356  -6.330
  248   2HA   GLY  34          1HA       GLY  34  18.843   5.261  -7.224
  249    H    ALA  35           H        ALA  35  16.966   5.552  -5.278
  250    HA   ALA  35           HA       ALA  35  17.471   8.295  -4.334
  251   1HB   ALA  35          1HB       ALA  35  15.061   6.901  -5.371
  252   2HB   ALA  35          2HB       ALA  35  15.652   8.532  -5.690
  253   3HB   ALA  35          3HB       ALA  35  14.832   8.172  -4.170
  254    HA   PRO  36           HA       PRO  36  17.031   7.202  -0.081
  255   1HB   PRO  36          2HB       PRO  36  15.458   9.199   0.908
  256   2HB   PRO  36          1HB       PRO  36  17.157   9.422   0.478
  257   1HG   PRO  36          2HG       PRO  36  14.700  10.109  -1.087
  258   2HG   PRO  36          1HG       PRO  36  16.188  11.050  -0.866
  259   1HD   PRO  36          2HD       PRO  36  15.696   9.624  -3.106
  260   2HD   PRO  36          1HD       PRO  36  17.335   9.844  -2.462
  261    HA   PRO  37           HA       PRO  37  13.336   4.920   0.730
  262   1HB   PRO  37          2HB       PRO  37  12.976   5.255   3.413
  263   2HB   PRO  37          1HB       PRO  37  14.219   4.210   2.721
  264   1HG   PRO  37          2HG       PRO  37  14.460   7.012   3.750
  265   2HG   PRO  37          1HG       PRO  37  15.538   5.628   4.015
  266   1HD   PRO  37          2HD       PRO  37  16.112   7.539   2.215
  267   2HD   PRO  37          1HD       PRO  37  16.524   5.836   1.929
  268    HA   PRO  38           HA       PRO  38   9.989   7.858   0.675
  269   1HB   PRO  38          2HB       PRO  38   7.955   6.145   0.328
  270   2HB   PRO  38          1HB       PRO  38   9.150   6.429  -0.944
  271   1HG   PRO  38          2HG       PRO  38   8.926   4.154   0.979
  272   2HG   PRO  38          1HG       PRO  38   9.346   4.129  -0.743
  273   1HD   PRO  38          2HD       PRO  38  11.176   4.011   1.321
  274   2HD   PRO  38          1HD       PRO  38  11.546   4.553  -0.326
  275    H    SER  39           H        SER  39  10.686   8.053   3.117
  276    HA   SER  39           HA       SER  39   8.471   7.098   4.810
  277   1HB   SER  39          2HB       SER  39  11.285   7.879   5.613
  278   2HB   SER  39          1HB       SER  39  10.010   7.392   6.730
  279    HG   SER  39           HG       SER  39  11.625   5.755   5.863
  Start of MODEL   30
    1   1H    HIS   1          1HT       HIS   1 -18.440  11.349  18.147
    2   2H    HIS   1          2HT       HIS   1 -18.727  11.532  19.829
    3   3H    HIS   1          3HT       HIS   1 -18.087  12.839  18.919
    4    HA   HIS   1           HA       HIS   1 -20.771  11.646  18.728
    5   1HB   HIS   1          2HB       HIS   1 -19.995  13.337  20.580
    6   2HB   HIS   1          1HB       HIS   1 -20.105  14.521  19.282
    7    HD1  HIS   1           1HD      HIS   1 -22.561  14.607  18.083
    8    HD2  HIS   1           2HD      HIS   1 -22.346  12.845  21.842
    9    HE1  HIS   1           1HE      HIS   1 -24.922  14.579  18.948
   10    HE2  HIS   1           2HE      HIS   1 -24.777  13.436  21.188
   11    H    GLY   2           H        GLY   2 -18.806  14.409  17.561
   12   1HA   GLY   2          2HA       GLY   2 -20.342  14.326  15.047
   13   2HA   GLY   2          1HA       GLY   2 -19.469  15.723  15.660
   14    H    GLU   3           H        GLU   3 -17.141  15.697  15.584
   15    HA   GLU   3           HA       GLU   3 -16.121  13.969  13.426
   16   1HB   GLU   3          2HB       GLU   3 -16.233  16.609  13.277
   17   2HB   GLU   3          1HB       GLU   3 -14.743  16.504  14.204
   18   1HG   GLU   3          2HG       GLU   3 -13.554  15.730  12.462
   19   2HG   GLU   3          1HG       GLU   3 -14.888  14.757  11.843
   20    H    GLY   4           H        GLY   4 -15.252  12.266  14.518
   21   1HA   GLY   4          2HA       GLY   4 -12.886  12.846  16.140
   22   2HA   GLY   4          1HA       GLY   4 -14.155  11.888  16.887
   23    H    THR   5           H        THR   5 -13.087  11.767  13.508
   24    HA   THR   5           HA       THR   5 -11.588   9.335  13.912
   25    HB   THR   5           HB       THR   5 -13.948   8.547  13.890
   26    HG1  THR   5           1HG      THR   5 -12.440   7.756  11.623
   27   1HG2  THR   5          1HG2      THR   5 -14.545  10.361  12.057
   28   2HG2  THR   5          2HG2      THR   5 -15.426   8.839  12.203
   29   3HG2  THR   5          3HG2      THR   5 -14.168   9.018  10.978
   30    H    PHE   6           H        PHE   6 -10.902  11.882  12.895
   31    HA   PHE   6           HA       PHE   6 -10.598  11.421  10.013
   32   1HB   PHE   6          2HB       PHE   6 -11.371  13.555  10.060
   33   2HB   PHE   6          1HB       PHE   6 -10.837  13.822  11.713
   34    HD1  PHE   6           1HD      PHE   6 -10.010  14.161   8.194
   35    HD2  PHE   6           2HD      PHE   6  -8.551  14.572  12.169
   36    HE1  PHE   6           1HE      PHE   6  -8.151  15.542   7.363
   37    HE2  PHE   6           2HE      PHE   6  -6.687  15.955  11.346
   38    HZ   PHE   6           HZ       PHE   6  -6.488  16.443   8.941
   39    H    THR   7           H        THR   7  -8.754  12.266  12.917
   40    HA   THR   7           HA       THR   7  -6.213  12.181  11.618
   41    HB   THR   7           HB       THR   7  -6.840  11.985  14.571
   42    HG1  THR   7           1HG      THR   7  -7.486  13.955  14.266
   43   1HG2  THR   7          1HG2      THR   7  -4.643  11.652  14.753
   44   2HG2  THR   7          2HG2      THR   7  -4.509  13.365  14.360
   45   3HG2  THR   7          3HG2      THR   7  -4.326  12.153  13.091
   46    H    SER   8           H        SER   8  -7.998   9.928  13.688
   47    HA   SER   8           HA       SER   8  -6.022   7.927  13.811
   48   1HB   SER   8          2HB       SER   8  -9.027   7.667  14.054
   49   2HB   SER   8          1HB       SER   8  -7.862   6.428  14.519
   50    HG   SER   8           HG       SER   8  -8.567   8.769  15.800
   51    H    ASP   9           H        ASP   9  -8.724   8.424  11.586
   52    HA   ASP   9           HA       ASP   9  -8.353   6.025  10.122
   53   1HB   ASP   9          2HB       ASP   9 -10.388   7.684  10.202
   54   2HB   ASP   9          1HB       ASP   9  -9.551   8.465   8.864
   55    H    LEU  10           H        LEU  10  -7.187   9.330   9.668
   56    HA   LEU  10           HA       LEU  10  -5.995   8.969   7.149
   57   1HB   LEU  10          2HB       LEU  10  -6.067  11.005   9.179
   58   2HB   LEU  10          1HB       LEU  10  -4.431  10.828   8.580
   59    HG   LEU  10           HG       LEU  10  -6.585  11.015   6.547
   60   1HD1  LEU  10          1HD1      LEU  10  -7.089  12.724   8.357
   61   2HD1  LEU  10          2HD1      LEU  10  -6.875  13.337   6.719
   62   3HD1  LEU  10          3HD1      LEU  10  -5.572  13.499   7.898
   63   1HD2  LEU  10          1HD2      LEU  10  -3.756  11.996   6.837
   64   2HD2  LEU  10          2HD2      LEU  10  -4.803  12.472   5.500
   65   3HD2  LEU  10          3HD2      LEU  10  -4.381  10.775   5.728
   66    H    SER  11           H        SER  11  -4.711   8.523  10.431
   67    HA   SER  11           HA       SER  11  -2.048   8.004   9.721
   68   1HB   SER  11          2HB       SER  11  -3.181   8.360  12.070
   69   2HB   SER  11          1HB       SER  11  -3.299   6.601  12.053
   70    HG   SER  11           HG       SER  11  -1.140   6.437  12.088
   71    H    LYS  12           H        LYS  12  -4.842   5.861   9.998
   72    HA   LYS  12           HA       LYS  12  -3.400   3.444   9.571
   73   1HB   LYS  12          2HB       LYS  12  -6.208   4.252   9.840
   74   2HB   LYS  12          1HB       LYS  12  -5.966   2.888   8.759
   75   1HG   LYS  12          2HG       LYS  12  -4.394   2.385  11.032
   76   2HG   LYS  12          1HG       LYS  12  -5.956   2.958  11.615
   77   1HD   LYS  12          2HD       LYS  12  -6.138   1.032   9.418
   78   2HD   LYS  12          1HD       LYS  12  -5.387   0.385  10.878
   79   1HE   LYS  12          2HE       LYS  12  -7.468   0.038  11.614
   80   2HE   LYS  12          1HE       LYS  12  -7.547   1.783  11.855
   81   1HZ   LYS  12          1HZ       LYS  12  -9.429   0.918  10.574
   82   2HZ   LYS  12          2HZ       LYS  12  -8.369   0.381   9.370
   83   3HZ   LYS  12          3HZ       LYS  12  -8.523   2.036   9.685
   84    H    GLN  13           H        GLN  13  -5.305   5.548   7.423
   85    HA   GLN  13           HA       GLN  13  -5.002   3.962   5.102
   86   1HB   GLN  13          2HB       GLN  13  -5.558   6.922   5.385
   87   2HB   GLN  13          1HB       GLN  13  -5.687   6.023   3.879
   88   1HG   GLN  13          2HG       GLN  13  -7.231   5.113   6.260
   89   2HG   GLN  13          1HG       GLN  13  -7.798   6.500   5.334
   90   1HE2  GLN  13          1HE2      GLN  13  -7.167   3.070   5.276
   91   2HE2  GLN  13          2HE2      GLN  13  -8.072   2.729   3.844
   92    H    MET  14           H        MET  14  -3.214   6.809   6.275
   93    HA   MET  14           HA       MET  14  -1.444   7.018   4.100
   94   1HB   MET  14          2HB       MET  14  -1.221   7.898   6.975
   95   2HB   MET  14          1HB       MET  14   0.031   8.235   5.788
   96   1HG   MET  14          2HG       MET  14  -2.836   9.143   5.659
   97   2HG   MET  14          1HG       MET  14  -1.440  10.140   6.061
   98   1HE   MET  14          1HE       MET  14  -3.704   8.662   3.812
   99   2HE   MET  14          2HE       MET  14  -2.741   8.039   2.473
  100   3HE   MET  14          3HE       MET  14  -3.489   9.631   2.354
  101    H    GLU  15           H        GLU  15  -1.420   4.953   6.928
  102    HA   GLU  15           HA       GLU  15   1.310   4.165   6.749
  103   1HB   GLU  15          2HB       GLU  15  -0.949   3.581   8.428
  104   2HB   GLU  15          1HB       GLU  15  -0.179   2.078   7.943
  105   1HG   GLU  15          2HG       GLU  15   0.846   2.695   9.956
  106   2HG   GLU  15          1HG       GLU  15   2.004   3.104   8.691
  107    H    GLU  16           H        GLU  16  -1.731   2.756   5.560
  108    HA   GLU  16           HA       GLU  16  -0.660   0.388   4.506
  109   1HB   GLU  16          2HB       GLU  16  -3.156   1.935   4.176
  110   2HB   GLU  16          1HB       GLU  16  -2.748   0.874   2.835
  111   1HG   GLU  16          2HG       GLU  16  -2.498  -0.364   5.476
  112   2HG   GLU  16          1HG       GLU  16  -4.134   0.136   5.049
  113    H    GLU  17           H        GLU  17  -1.393   3.456   2.827
  114    HA   GLU  17           HA       GLU  17  -0.340   2.689   0.337
  115   1HB   GLU  17          2HB       GLU  17  -0.212   5.166  -0.107
  116   2HB   GLU  17          1HB       GLU  17  -1.788   4.574   0.400
  117   1HG   GLU  17          2HG       GLU  17  -1.798   6.170   1.930
  118   2HG   GLU  17          1HG       GLU  17  -0.520   5.290   2.765
  119    H    ALA  18           H        ALA  18   1.191   4.010   3.204
  120    HA   ALA  18           HA       ALA  18   3.665   4.708   1.987
  121   1HB   ALA  18          1HB       ALA  18   3.032   4.083   4.872
  122   2HB   ALA  18          2HB       ALA  18   2.993   5.675   4.113
  123   3HB   ALA  18          3HB       ALA  18   4.525   4.819   4.288
  124    H    VAL  19           H        VAL  19   2.439   1.775   3.547
  125    HA   VAL  19           HA       VAL  19   4.867   0.360   3.703
  126    HB   VAL  19           HB       VAL  19   2.057  -0.718   3.376
  127   1HG1  VAL  19          1HG1      VAL  19   3.211  -2.721   4.592
  128   2HG1  VAL  19          2HG1      VAL  19   4.679  -2.060   3.871
  129   3HG1  VAL  19          3HG1      VAL  19   3.337  -2.557   2.840
  130   1HG2  VAL  19          1HG2      VAL  19   3.217   0.662   5.505
  131   2HG2  VAL  19          2HG2      VAL  19   3.265  -1.036   5.978
  132   3HG2  VAL  19          3HG2      VAL  19   1.730  -0.287   5.534
  133    H    ARG  20           H        ARG  20   2.389   0.468   1.147
  134    HA   ARG  20           HA       ARG  20   3.554  -1.414  -0.579
  135   1HB   ARG  20          2HB       ARG  20   1.249  -0.005  -0.607
  136   2HB   ARG  20          1HB       ARG  20   2.159   0.890  -1.815
  137   1HG   ARG  20          2HG       ARG  20   2.610  -1.677  -2.593
  138   2HG   ARG  20          1HG       ARG  20   0.974  -1.783  -1.940
  139   1HD   ARG  20          2HD       ARG  20   1.247   0.579  -3.555
  140   2HD   ARG  20          1HD       ARG  20   1.770  -0.836  -4.463
  141    HE   ARG  20           HE       ARG  20  -0.391  -1.666  -4.401
  142   1HH1  ARG  20          1HH1      ARG  20  -0.172   1.234  -2.446
  143   2HH1  ARG  20          2HH1      ARG  20  -1.889   1.427  -2.328
  144   1HH2  ARG  20          1HH2      ARG  20  -2.648  -1.404  -4.236
  145   2HH2  ARG  20          2HH2      ARG  20  -3.293  -0.069  -3.341
  146    H    LEU  21           H        LEU  21   4.011   2.102  -0.319
  147    HA   LEU  21           HA       LEU  21   5.737   2.369  -2.546
  148   1HB   LEU  21          2HB       LEU  21   4.898   4.032  -0.272
  149   2HB   LEU  21          1HB       LEU  21   6.523   4.368  -0.833
  150    HG   LEU  21           HG       LEU  21   4.956   5.867  -1.902
  151   1HD1  LEU  21          1HD1      LEU  21   6.929   4.749  -3.159
  152   2HD1  LEU  21          2HD1      LEU  21   5.741   5.685  -4.065
  153   3HD1  LEU  21          3HD1      LEU  21   5.659   3.923  -4.060
  154   1HD2  LEU  21          1HD2      LEU  21   3.302   3.554  -2.000
  155   2HD2  LEU  21          2HD2      LEU  21   3.532   4.148  -3.645
  156   3HD2  LEU  21          3HD2      LEU  21   2.896   5.223  -2.400
  157    H    PHE  22           H        PHE  22   6.325   1.829   0.906
  158    HA   PHE  22           HA       PHE  22   9.142   1.901   0.831
  159   1HB   PHE  22          2HB       PHE  22   8.010   2.061   2.947
  160   2HB   PHE  22          1HB       PHE  22   7.207   0.515   2.699
  161    HD1  PHE  22           1HD      PHE  22   8.053  -1.329   3.755
  162    HD2  PHE  22           2HD      PHE  22  10.649   1.935   2.915
  163    HE1  PHE  22           1HE      PHE  22   9.876  -2.474   4.952
  164    HE2  PHE  22           2HE      PHE  22  12.474   0.801   4.110
  165    HZ   PHE  22           HZ       PHE  22  12.089  -1.409   5.131
  166    H    ILE  23           H        ILE  23   6.812  -0.729   0.397
  167    HA   ILE  23           HA       ILE  23   8.625  -2.868   0.238
  168    HB   ILE  23           HB       ILE  23   5.876  -2.479  -0.950
  169   1HG1  ILE  23          2HG1      ILE  23   6.656  -4.439   1.186
  170   2HG1  ILE  23          1HG1      ILE  23   6.380  -2.750   1.595
  171   1HG2  ILE  23          1HG2      ILE  23   5.812  -4.804  -1.549
  172   2HG2  ILE  23          2HG2      ILE  23   7.442  -5.054  -0.922
  173   3HG2  ILE  23          3HG2      ILE  23   7.189  -4.047  -2.350
  174   1HD1  ILE  23          1HD1      ILE  23   4.122  -2.863   0.940
  175   2HD1  ILE  23          2HD1      ILE  23   4.429  -4.314   1.892
  176   3HD1  ILE  23          3HD1      ILE  23   4.353  -4.412   0.131
  177    H    GLU  24           H        GLU  24   7.220  -0.809  -2.311
  178    HA   GLU  24           HA       GLU  24   8.538  -2.036  -4.484
  179   1HB   GLU  24          2HB       GLU  24   6.571  -0.325  -4.449
  180   2HB   GLU  24          1HB       GLU  24   7.843   0.887  -4.459
  181   1HG   GLU  24          2HG       GLU  24   8.476   0.411  -6.595
  182   2HG   GLU  24          1HG       GLU  24   7.965  -1.273  -6.488
  183    H    TRP  25           H        TRP  25   9.437   0.588  -2.312
  184    HA   TRP  25           HA       TRP  25  11.739   1.486  -3.645
  185   1HB   TRP  25          2HB       TRP  25  10.738   2.788  -1.863
  186   2HB   TRP  25          1HB       TRP  25  11.027   1.498  -0.703
  187    HD1  TRP  25           HD       TRP  25  13.079   3.950  -2.900
  188    HE1  TRP  25           1HE      TRP  25  15.257   4.497  -1.643
  189    HE3  TRP  25           3HE      TRP  25  12.494   0.851   1.124
  190    HZ2  TRP  25           2HZ      TRP  25  16.557   3.719   0.738
  191    HZ3  TRP  25           3HZ      TRP  25  14.255   0.810   2.845
  192    HH2  TRP  25           HH       TRP  25  16.243   2.216   2.655
  193    H    LEU  26           H        LEU  26  11.264  -1.065  -1.222
  194    HA   LEU  26           HA       LEU  26  14.006  -1.730  -0.930
  195   1HB   LEU  26          2HB       LEU  26  11.482  -3.284  -0.382
  196   2HB   LEU  26          1HB       LEU  26  13.082  -3.899  -0.013
  197    HG   LEU  26           HG       LEU  26  11.896  -1.381   1.155
  198   1HD1  LEU  26          1HD1      LEU  26  11.803  -4.212   1.977
  199   2HD1  LEU  26          2HD1      LEU  26  10.684  -2.893   2.312
  200   3HD1  LEU  26          3HD1      LEU  26  12.175  -3.042   3.241
  201   1HD2  LEU  26          1HD2      LEU  26  14.436  -2.880   1.790
  202   2HD2  LEU  26          2HD2      LEU  26  13.802  -1.509   2.700
  203   3HD2  LEU  26          3HD2      LEU  26  14.318  -1.294   1.028
  204    H    LYS  27           H        LYS  27  11.417  -2.948  -3.014
  205    HA   LYS  27           HA       LYS  27  12.826  -5.108  -4.149
  206   1HB   LYS  27          2HB       LYS  27  10.274  -3.977  -4.416
  207   2HB   LYS  27          1HB       LYS  27  10.985  -3.883  -6.022
  208   1HG   LYS  27          2HG       LYS  27  10.035  -5.940  -6.147
  209   2HG   LYS  27          1HG       LYS  27  11.618  -6.393  -5.514
  210   1HD   LYS  27          2HD       LYS  27  10.572  -7.383  -3.815
  211   2HD   LYS  27          1HD       LYS  27  10.069  -5.783  -3.265
  212   1HE   LYS  27          2HE       LYS  27   7.995  -5.944  -4.375
  213   2HE   LYS  27          1HE       LYS  27   8.526  -7.323  -5.336
  214   1HZ   LYS  27          1HZ       LYS  27   8.041  -7.322  -2.404
  215   2HZ   LYS  27          2HZ       LYS  27   8.600  -8.644  -3.296
  216   3HZ   LYS  27          3HZ       LYS  27   7.051  -8.030  -3.579
  217    H    ASN  28           H        ASN  28  12.750  -1.676  -4.905
  218    HA   ASN  28           HA       ASN  28  14.119  -1.900  -7.407
  219   1HB   ASN  28          2HB       ASN  28  12.627   0.045  -6.283
  220   2HB   ASN  28          1HB       ASN  28  14.232   0.648  -5.902
  221   1HD2  ASN  28          1HD2      ASN  28  11.818   0.522  -8.204
  222   2HD2  ASN  28          2HD2      ASN  28  12.718   1.092  -9.563
  223    H    GLY  29           H        GLY  29  15.190  -2.287  -4.245
  224   1HA   GLY  29          2HA       GLY  29  17.592  -2.981  -4.181
  225   2HA   GLY  29          1HA       GLY  29  17.927  -1.448  -4.966
  226    H    GLY  30           H        GLY  30  15.445  -0.882  -2.823
  227   1HA   GLY  30          2HA       GLY  30  15.320   0.137  -0.779
  228   2HA   GLY  30          1HA       GLY  30  16.702  -0.845  -0.318
  229    HA   PRO  31           HA       PRO  31  18.508   3.265   0.198
  230   1HB   PRO  31          2HB       PRO  31  20.889   1.652   0.891
  231   2HB   PRO  31          1HB       PRO  31  20.077   2.917   1.818
  232   1HG   PRO  31          2HG       PRO  31  19.877   0.337   2.504
  233   2HG   PRO  31          1HG       PRO  31  18.516   1.457   2.695
  234   1HD   PRO  31          2HD       PRO  31  18.989  -0.618   0.595
  235   2HD   PRO  31          1HD       PRO  31  17.475  -0.151   1.399
  236    H    SER  32           H        SER  32  19.811   0.557  -1.631
  237    HA   SER  32           HA       SER  32  21.605   2.327  -3.113
  238   1HB   SER  32          2HB       SER  32  22.216  -0.041  -2.200
  239   2HB   SER  32          1HB       SER  32  21.352  -0.621  -3.623
  240    HG   SER  32           HG       SER  32  23.038  -0.128  -4.757
  241    H    SER  33           H        SER  33  18.577   2.281  -3.391
  242    HA   SER  33           HA       SER  33  18.194   1.310  -6.101
  243   1HB   SER  33          2HB       SER  33  16.311   0.968  -4.684
  244   2HB   SER  33          1HB       SER  33  16.352   2.630  -4.100
  245    HG   SER  33           HG       SER  33  14.846   2.792  -5.599
  246    H    GLY  34           H        GLY  34  18.411   4.397  -4.381
  247   1HA   GLY  34          2HA       GLY  34  19.673   6.042  -5.921
  248   2HA   GLY  34          1HA       GLY  34  18.265   5.831  -6.947
  249    H    ALA  35           H        ALA  35  16.215   5.837  -5.166
  250    HA   ALA  35           HA       ALA  35  16.252   8.614  -4.235
  251   1HB   ALA  35          1HB       ALA  35  13.707   8.076  -3.995
  252   2HB   ALA  35          2HB       ALA  35  14.095   6.711  -5.042
  253   3HB   ALA  35          3HB       ALA  35  14.404   8.360  -5.589
  254    HA   PRO  36           HA       PRO  36  16.193   7.632   0.067
  255   1HB   PRO  36          2HB       PRO  36  14.324   9.348   1.065
  256   2HB   PRO  36          1HB       PRO  36  15.937   9.855   0.552
  257   1HG   PRO  36          2HG       PRO  36  13.338  10.025  -0.924
  258   2HG   PRO  36          1HG       PRO  36  14.633  11.230  -0.795
  259   1HD   PRO  36          2HD       PRO  36  14.338   9.662  -2.973
  260   2HD   PRO  36          1HD       PRO  36  15.933  10.190  -2.395
  261    HA   PRO  37           HA       PRO  37  13.001   4.730   1.023
  262   1HB   PRO  37          2HB       PRO  37  12.919   4.851   3.740
  263   2HB   PRO  37          1HB       PRO  37  14.230   4.076   2.845
  264   1HG   PRO  37          2HG       PRO  37  14.126   6.806   4.067
  265   2HG   PRO  37          1HG       PRO  37  15.445   5.620   4.086
  266   1HD   PRO  37          2HD       PRO  37  15.427   7.731   2.402
  267   2HD   PRO  37          1HD       PRO  37  16.140   6.168   1.955
  268    HA   PRO  38           HA       PRO  38   9.363   7.302   1.566
  269   1HB   PRO  38          2HB       PRO  38   7.580   5.589   0.555
  270   2HB   PRO  38          1HB       PRO  38   8.774   6.380  -0.480
  271   1HG   PRO  38          2HG       PRO  38   8.732   3.598   0.586
  272   2HG   PRO  38          1HG       PRO  38   9.268   4.184  -0.996
  273   1HD   PRO  38          2HD       PRO  38  10.926   3.584   1.170
  274   2HD   PRO  38          1HD       PRO  38  11.380   4.552  -0.247
  275    H    SER  39           H        SER  39  10.230   6.376   3.960
  276    HA   SER  39           HA       SER  39   7.758   5.593   5.259
  277   1HB   SER  39          2HB       SER  39   8.984   3.817   6.607
  278   2HB   SER  39          1HB       SER  39   8.643   3.404   4.927
  279    HG   SER  39           HG       SER  39  10.742   3.631   4.426
  Start of MODEL   31
    1   1H    HIS   1          1HT       HIS   1 -28.160   1.433   0.603
    2   2H    HIS   1          2HT       HIS   1 -29.248   2.755   0.724
    3   3H    HIS   1          3HT       HIS   1 -29.439   1.387   1.744
    4    HA   HIS   1           HA       HIS   1 -28.494   3.201   2.936
    5   1HB   HIS   1          2HB       HIS   1 -26.851   0.751   2.355
    6   2HB   HIS   1          1HB       HIS   1 -26.274   1.951   3.506
    7    HD1  HIS   1           1HD      HIS   1 -28.204  -1.053   3.359
    8    HD2  HIS   1           2HD      HIS   1 -28.364   2.433   5.615
    9    HE1  HIS   1           1HE      HIS   1 -29.585  -1.625   5.382
   10    HE2  HIS   1           2HE      HIS   1 -29.744   0.525   6.687
   11    H    GLY   2           H        GLY   2 -27.300   5.014   2.921
   12   1HA   GLY   2          2HA       GLY   2 -25.745   5.617   0.537
   13   2HA   GLY   2          1HA       GLY   2 -26.194   6.747   1.804
   14    H    GLU   3           H        GLU   3 -25.059   6.459   3.919
   15    HA   GLU   3           HA       GLU   3 -22.234   5.812   3.419
   16   1HB   GLU   3          2HB       GLU   3 -21.716   7.309   5.282
   17   2HB   GLU   3          1HB       GLU   3 -22.669   8.133   4.056
   18   1HG   GLU   3          2HG       GLU   3 -24.668   7.881   5.417
   19   2HG   GLU   3          1HG       GLU   3 -23.743   7.004   6.635
   20    H    GLY   4           H        GLY   4 -21.002   4.707   5.013
   21   1HA   GLY   4          2HA       GLY   4 -22.529   3.315   7.103
   22   2HA   GLY   4          1HA       GLY   4 -21.628   2.358   5.937
   23    H    THR   5           H        THR   5 -19.545   1.916   6.350
   24    HA   THR   5           HA       THR   5 -18.166   3.517   8.402
   25    HB   THR   5           HB       THR   5 -17.047   1.307   9.071
   26    HG1  THR   5           1HG      THR   5 -17.631  -0.219   7.722
   27   1HG2  THR   5          1HG2      THR   5 -19.200   0.522  10.312
   28   2HG2  THR   5          2HG2      THR   5 -19.860   2.039   9.700
   29   3HG2  THR   5          3HG2      THR   5 -18.429   2.051  10.731
   30    H    PHE   6           H        PHE   6 -17.348   4.585   6.437
   31    HA   PHE   6           HA       PHE   6 -15.439   3.070   4.849
   32   1HB   PHE   6          2HB       PHE   6 -15.276   5.009   3.449
   33   2HB   PHE   6          1HB       PHE   6 -16.977   4.750   3.807
   34    HD1  PHE   6           1HD      PHE   6 -18.211   6.309   5.183
   35    HD2  PHE   6           2HD      PHE   6 -14.080   6.910   4.357
   36    HE1  PHE   6           1HE      PHE   6 -18.392   8.630   5.981
   37    HE2  PHE   6           2HE      PHE   6 -14.252   9.229   5.153
   38    HZ   PHE   6           HZ       PHE   6 -16.410  10.093   5.966
   39    H    THR   7           H        THR   7 -15.461   5.405   7.451
   40    HA   THR   7           HA       THR   7 -12.862   6.383   7.316
   41    HB   THR   7           HB       THR   7 -13.178   6.456   9.932
   42    HG1  THR   7           1HG      THR   7 -14.907   5.423  10.500
   43   1HG2  THR   7          1HG2      THR   7 -14.983   7.990   8.080
   44   2HG2  THR   7          2HG2      THR   7 -13.343   8.434   8.551
   45   3HG2  THR   7          3HG2      THR   7 -14.629   8.408   9.757
   46    H    SER   8           H        SER   8 -14.055   3.321   8.575
   47    HA   SER   8           HA       SER   8 -11.811   2.496  10.016
   48   1HB   SER   8          2HB       SER   8 -14.077   1.100   8.672
   49   2HB   SER   8          1HB       SER   8 -12.691   0.128   9.166
   50    HG   SER   8           HG       SER   8 -13.153   0.481  11.218
   51    H    ASP   9           H        ASP   9 -12.583   2.140   6.583
   52    HA   ASP   9           HA       ASP   9 -10.201   0.693   5.944
   53   1HB   ASP   9          2HB       ASP   9 -12.501   1.807   4.462
   54   2HB   ASP   9          1HB       ASP   9 -10.996   1.720   3.553
   55    H    LEU  10           H        LEU  10 -11.094   4.081   6.059
   56    HA   LEU  10           HA       LEU  10  -9.032   5.177   4.517
   57   1HB   LEU  10          2HB       LEU  10 -11.046   6.125   6.340
   58   2HB   LEU  10          1HB       LEU  10  -9.532   6.952   6.656
   59    HG   LEU  10           HG       LEU  10 -10.857   8.248   5.114
   60   1HD1  LEU  10          1HD1      LEU  10  -8.329   7.007   4.185
   61   2HD1  LEU  10          2HD1      LEU  10  -8.702   8.691   4.554
   62   3HD1  LEU  10          3HD1      LEU  10  -9.237   7.984   3.031
   63   1HD2  LEU  10          1HD2      LEU  10 -11.405   5.659   3.957
   64   2HD2  LEU  10          2HD2      LEU  10 -10.879   6.813   2.732
   65   3HD2  LEU  10          3HD2      LEU  10 -12.263   7.186   3.759
   66    H    SER  11           H        SER  11  -9.149   4.477   8.008
   67    HA   SER  11           HA       SER  11  -6.615   5.478   8.667
   68   1HB   SER  11          2HB       SER  11  -8.470   3.490   9.919
   69   2HB   SER  11          1HB       SER  11  -6.830   3.643  10.549
   70    HG   SER  11           HG       SER  11  -8.918   5.519  10.533
   71    H    LYS  12           H        LYS  12  -7.623   2.274   7.573
   72    HA   LYS  12           HA       LYS  12  -5.068   1.054   7.835
   73   1HB   LYS  12          2HB       LYS  12  -7.505   0.038   7.517
   74   2HB   LYS  12          1HB       LYS  12  -7.030   0.052   5.824
   75   1HG   LYS  12          2HG       LYS  12  -6.378  -2.049   6.458
   76   2HG   LYS  12          1HG       LYS  12  -4.886  -1.141   6.707
   77   1HD   LYS  12          2HD       LYS  12  -4.868  -1.812   8.827
   78   2HD   LYS  12          1HD       LYS  12  -6.371  -0.926   9.094
   79   1HE   LYS  12          2HE       LYS  12  -7.336  -3.144   7.911
   80   2HE   LYS  12          1HE       LYS  12  -5.909  -3.816   8.700
   81   1HZ   LYS  12          1HZ       LYS  12  -6.702  -2.872  10.800
   82   2HZ   LYS  12          2HZ       LYS  12  -7.817  -3.962  10.146
   83   3HZ   LYS  12          3HZ       LYS  12  -8.094  -2.299  10.025
   84    H    GLN  13           H        GLN  13  -6.795   2.531   5.100
   85    HA   GLN  13           HA       GLN  13  -4.876   1.941   3.126
   86   1HB   GLN  13          2HB       GLN  13  -7.286   2.759   2.824
   87   2HB   GLN  13          1HB       GLN  13  -6.647   4.377   3.085
   88   1HG   GLN  13          2HG       GLN  13  -6.766   4.071   0.754
   89   2HG   GLN  13          1HG       GLN  13  -5.061   3.941   1.184
   90   1HE2  GLN  13          1HE2      GLN  13  -7.790   2.360  -0.161
   91   2HE2  GLN  13          2HE2      GLN  13  -7.014   0.867  -0.552
   92    H    MET  14           H        MET  14  -5.253   4.741   5.272
   93    HA   MET  14           HA       MET  14  -3.316   6.411   4.160
   94   1HB   MET  14          2HB       MET  14  -4.403   6.103   6.942
   95   2HB   MET  14          1HB       MET  14  -3.096   7.235   6.621
   96   1HG   MET  14          2HG       MET  14  -5.345   7.465   4.769
   97   2HG   MET  14          1HG       MET  14  -5.760   7.792   6.451
   98   1HE   MET  14          1HE       MET  14  -3.599   8.310   3.574
   99   2HE   MET  14          2HE       MET  14  -2.367   9.451   4.117
  100   3HE   MET  14          3HE       MET  14  -3.831  10.041   3.330
  101    H    GLU  15           H        GLU  15  -2.959   3.977   6.740
  102    HA   GLU  15           HA       GLU  15  -0.149   4.349   7.016
  103   1HB   GLU  15          2HB       GLU  15  -2.027   2.162   7.903
  104   2HB   GLU  15          1HB       GLU  15  -0.299   2.102   8.221
  105   1HG   GLU  15          2HG       GLU  15  -1.907   4.484   9.041
  106   2HG   GLU  15          1HG       GLU  15  -1.896   3.023  10.028
  107    H    GLU  16           H        GLU  16  -2.173   2.097   5.195
  108    HA   GLU  16           HA       GLU  16  -0.192   0.341   4.303
  109   1HB   GLU  16          2HB       GLU  16  -2.870   0.447   4.011
  110   2HB   GLU  16          1HB       GLU  16  -2.380   0.985   2.410
  111   1HG   GLU  16          2HG       GLU  16  -0.828  -1.112   2.502
  112   2HG   GLU  16          1HG       GLU  16  -1.966  -1.647   3.739
  113    H    GLU  17           H        GLU  17  -1.200   3.484   3.052
  114    HA   GLU  17           HA       GLU  17   0.075   3.425   0.572
  115   1HB   GLU  17          2HB       GLU  17  -1.481   5.221   1.795
  116   2HB   GLU  17          1HB       GLU  17   0.076   5.982   2.090
  117   1HG   GLU  17          2HG       GLU  17   0.283   6.648  -0.028
  118   2HG   GLU  17          1HG       GLU  17  -0.287   5.109  -0.670
  119    H    ALA  18           H        ALA  18   1.316   4.460   3.727
  120    HA   ALA  18           HA       ALA  18   3.883   5.222   2.779
  121   1HB   ALA  18          1HB       ALA  18   4.156   4.554   5.480
  122   2HB   ALA  18          2HB       ALA  18   2.506   5.149   5.308
  123   3HB   ALA  18          3HB       ALA  18   3.864   6.153   4.797
  124    H    VAL  19           H        VAL  19   2.701   2.274   4.401
  125    HA   VAL  19           HA       VAL  19   5.171   0.922   4.477
  126    HB   VAL  19           HB       VAL  19   2.399  -0.284   4.304
  127   1HG1  VAL  19          1HG1      VAL  19   4.088  -1.932   5.800
  128   2HG1  VAL  19          2HG1      VAL  19   5.020  -1.480   4.372
  129   3HG1  VAL  19          3HG1      VAL  19   3.441  -2.245   4.190
  130   1HG2  VAL  19          1HG2      VAL  19   2.565   1.213   6.197
  131   2HG2  VAL  19          2HG2      VAL  19   4.080   0.463   6.696
  132   3HG2  VAL  19          3HG2      VAL  19   2.576  -0.456   6.764
  133    H    ARG  20           H        ARG  20   2.597   0.994   2.033
  134    HA   ARG  20           HA       ARG  20   3.665  -0.947   0.298
  135   1HB   ARG  20          2HB       ARG  20   1.608   1.147   0.156
  136   2HB   ARG  20          1HB       ARG  20   2.371   0.793  -1.386
  137   1HG   ARG  20          2HG       ARG  20   1.895  -1.692  -0.690
  138   2HG   ARG  20          1HG       ARG  20   0.666  -0.936   0.326
  139   1HD   ARG  20          2HD       ARG  20   0.793   0.005  -2.468
  140   2HD   ARG  20          1HD       ARG  20   0.262  -1.660  -2.241
  141    HE   ARG  20           HE       ARG  20  -1.660  -0.895  -1.208
  142   1HH1  ARG  20          1HH1      ARG  20   0.500   1.801  -1.805
  143   2HH1  ARG  20          2HH1      ARG  20  -0.719   2.995  -1.516
  144   1HH2  ARG  20          1HH2      ARG  20  -3.254   0.683  -0.831
  145   2HH2  ARG  20          2HH2      ARG  20  -2.849   2.362  -0.965
  146    H    LEU  21           H        LEU  21   4.141   2.573   0.471
  147    HA   LEU  21           HA       LEU  21   5.737   2.803  -1.844
  148   1HB   LEU  21          2HB       LEU  21   5.309   4.474   0.598
  149   2HB   LEU  21          1HB       LEU  21   6.649   4.864  -0.464
  150    HG   LEU  21           HG       LEU  21   3.836   4.617  -1.499
  151   1HD1  LEU  21          1HD1      LEU  21   5.183   6.979  -0.224
  152   2HD1  LEU  21          2HD1      LEU  21   3.603   6.286   0.138
  153   3HD1  LEU  21          3HD1      LEU  21   3.859   7.154  -1.375
  154   1HD2  LEU  21          1HD2      LEU  21   6.199   6.177  -2.531
  155   2HD2  LEU  21          2HD2      LEU  21   4.656   5.905  -3.341
  156   3HD2  LEU  21          3HD2      LEU  21   5.765   4.558  -3.081
  157    H    PHE  22           H        PHE  22   6.552   2.279   1.566
  158    HA   PHE  22           HA       PHE  22   9.356   2.311   1.249
  159   1HB   PHE  22          2HB       PHE  22   8.449   2.565   3.449
  160   2HB   PHE  22          1HB       PHE  22   7.562   1.050   3.330
  161    HD1  PHE  22           1HD      PHE  22   8.397  -0.702   4.517
  162    HD2  PHE  22           2HD      PHE  22  11.097   2.230   3.023
  163    HE1  PHE  22           1HE      PHE  22  10.275  -1.892   5.581
  164    HE2  PHE  22           2HE      PHE  22  12.977   1.047   4.082
  165    HZ   PHE  22           HZ       PHE  22  12.568  -1.016   5.360
  166    H    ILE  23           H        ILE  23   6.965  -0.308   1.184
  167    HA   ILE  23           HA       ILE  23   8.750  -2.464   0.888
  168    HB   ILE  23           HB       ILE  23   5.872  -2.135   0.033
  169   1HG1  ILE  23          2HG1      ILE  23   6.926  -3.941   2.192
  170   2HG1  ILE  23          1HG1      ILE  23   6.652  -2.232   2.512
  171   1HG2  ILE  23          1HG2      ILE  23   5.818  -4.584  -0.265
  172   2HG2  ILE  23          2HG2      ILE  23   7.570  -4.627  -0.059
  173   3HG2  ILE  23          3HG2      ILE  23   6.863  -3.779  -1.436
  174   1HD1  ILE  23          1HD1      ILE  23   4.542  -4.092   1.454
  175   2HD1  ILE  23          2HD1      ILE  23   4.329  -2.443   2.044
  176   3HD1  ILE  23          3HD1      ILE  23   4.779  -3.730   3.164
  177    H    GLU  24           H        GLU  24   7.066  -0.449  -1.516
  178    HA   GLU  24           HA       GLU  24   8.028  -1.784  -3.812
  179   1HB   GLU  24          2HB       GLU  24   6.110  -0.111  -3.663
  180   2HB   GLU  24          1HB       GLU  24   7.335   1.150  -3.658
  181   1HG   GLU  24          2HG       GLU  24   8.043   0.613  -5.839
  182   2HG   GLU  24          1HG       GLU  24   7.155  -0.910  -5.833
  183    H    TRP  25           H        TRP  25   9.292   0.863  -1.864
  184    HA   TRP  25           HA       TRP  25  11.415   1.628  -3.546
  185   1HB   TRP  25          2HB       TRP  25  10.713   3.083  -1.761
  186   2HB   TRP  25          1HB       TRP  25  11.052   1.848  -0.554
  187    HD1  TRP  25           HD       TRP  25  12.991   4.047  -3.093
  188    HE1  TRP  25           1HE      TRP  25  15.314   4.537  -2.102
  189    HE3  TRP  25           3HE      TRP  25  12.676   1.213   1.148
  190    HZ2  TRP  25           2HZ      TRP  25  16.815   3.818   0.179
  191    HZ3  TRP  25           3HZ      TRP  25  14.598   1.170   2.683
  192    HH2  TRP  25           HH       TRP  25  16.623   2.446   2.207
  193    H    LEU  26           H        LEU  26  11.153  -0.828  -1.012
  194    HA   LEU  26           HA       LEU  26  13.920  -1.531  -1.041
  195   1HB   LEU  26          2HB       LEU  26  11.475  -2.978  -0.030
  196   2HB   LEU  26          1HB       LEU  26  13.105  -3.599   0.154
  197    HG   LEU  26           HG       LEU  26  12.104  -0.991   1.302
  198   1HD1  LEU  26          1HD1      LEU  26  12.667  -2.467   3.442
  199   2HD1  LEU  26          2HD1      LEU  26  12.203  -3.763   2.339
  200   3HD1  LEU  26          3HD1      LEU  26  11.072  -2.456   2.691
  201   1HD2  LEU  26          1HD2      LEU  26  14.507  -1.000   0.762
  202   2HD2  LEU  26          2HD2      LEU  26  14.704  -2.457   1.740
  203   3HD2  LEU  26          3HD2      LEU  26  14.211  -0.945   2.503
  204    H    LYS  27           H        LYS  27  11.054  -2.612  -2.758
  205    HA   LYS  27           HA       LYS  27  12.120  -4.968  -3.888
  206   1HB   LYS  27          2HB       LYS  27   9.700  -3.417  -4.095
  207   2HB   LYS  27          1HB       LYS  27  10.232  -3.913  -5.695
  208   1HG   LYS  27          2HG       LYS  27   9.093  -5.784  -5.249
  209   2HG   LYS  27          1HG       LYS  27  10.519  -6.229  -4.311
  210   1HD   LYS  27          2HD       LYS  27   9.500  -5.794  -2.301
  211   2HD   LYS  27          1HD       LYS  27   8.404  -4.596  -2.993
  212   1HE   LYS  27          2HE       LYS  27   6.877  -6.157  -3.626
  213   2HE   LYS  27          1HE       LYS  27   8.098  -7.392  -3.922
  214   1HZ   LYS  27          1HZ       LYS  27   6.865  -8.072  -2.047
  215   2HZ   LYS  27          2HZ       LYS  27   6.969  -6.553  -1.312
  216   3HZ   LYS  27          3HZ       LYS  27   8.347  -7.524  -1.446
  217    H    ASN  28           H        ASN  28  12.174  -1.587  -4.948
  218    HA   ASN  28           HA       ASN  28  13.301  -2.210  -7.511
  219   1HB   ASN  28          2HB       ASN  28  13.444   0.164  -7.868
  220   2HB   ASN  28          1HB       ASN  28  11.905  -0.188  -7.094
  221   1HD2  ASN  28          1HD2      ASN  28  11.502   1.678  -6.073
  222   2HD2  ASN  28          2HD2      ASN  28  12.527   2.386  -4.877
  223    H    GLY  29           H        GLY  29  14.643  -2.173  -4.423
  224   1HA   GLY  29          2HA       GLY  29  17.055  -2.995  -4.654
  225   2HA   GLY  29          1HA       GLY  29  17.309  -1.454  -5.454
  226    H    GLY  30           H        GLY  30  15.132  -0.610  -3.209
  227   1HA   GLY  30          2HA       GLY  30  15.232   0.402  -1.161
  228   2HA   GLY  30          1HA       GLY  30  16.504  -0.743  -0.762
  229    HA   PRO  31           HA       PRO  31  18.757   3.171  -0.425
  230   1HB   PRO  31          2HB       PRO  31  20.896   1.355   0.502
  231   2HB   PRO  31          1HB       PRO  31  20.184   2.758   1.303
  232   1HG   PRO  31          2HG       PRO  31  19.667   0.270   2.141
  233   2HG   PRO  31          1HG       PRO  31  18.426   1.537   2.174
  234   1HD   PRO  31          2HD       PRO  31  18.798  -0.699   0.216
  235   2HD   PRO  31          1HD       PRO  31  17.301  -0.066   0.933
  236    H    SER  32           H        SER  32  19.889   0.171  -1.930
  237    HA   SER  32           HA       SER  32  21.920   1.611  -3.444
  238   1HB   SER  32          2HB       SER  32  22.284  -0.818  -4.350
  239   2HB   SER  32          1HB       SER  32  22.807  -0.411  -2.719
  240    HG   SER  32           HG       SER  32  20.510  -1.846  -3.530
  241    H    SER  33           H        SER  33  19.314   2.398  -4.070
  242    HA   SER  33           HA       SER  33  18.928   1.233  -6.749
  243   1HB   SER  33          2HB       SER  33  17.029   0.996  -5.062
  244   2HB   SER  33          1HB       SER  33  16.819   2.741  -5.206
  245    HG   SER  33           HG       SER  33  15.663   2.277  -6.890
  246    H    GLY  34           H        GLY  34  19.211   4.209  -4.883
  247   1HA   GLY  34          2HA       GLY  34  20.504   5.867  -6.401
  248   2HA   GLY  34          1HA       GLY  34  19.028   5.797  -7.348
  249    H    ALA  35           H        ALA  35  17.119   5.773  -5.340
  250    HA   ALA  35           HA       ALA  35  17.454   8.472  -4.214
  251   1HB   ALA  35          1HB       ALA  35  14.770   7.210  -4.400
  252   2HB   ALA  35          2HB       ALA  35  15.544   7.745  -5.892
  253   3HB   ALA  35          3HB       ALA  35  15.245   8.897  -4.591
  254    HA   PRO  36           HA       PRO  36  17.185   6.975  -0.068
  255   1HB   PRO  36          2HB       PRO  36  15.800   8.952   1.171
  256   2HB   PRO  36          1HB       PRO  36  17.470   9.148   0.626
  257   1HG   PRO  36          2HG       PRO  36  14.931  10.040  -0.686
  258   2HG   PRO  36          1HG       PRO  36  16.463  10.913  -0.502
  259   1HD   PRO  36          2HD       PRO  36  15.752   9.673  -2.804
  260   2HD   PRO  36          1HD       PRO  36  17.441   9.829  -2.281
  261    HA   PRO  37           HA       PRO  37  13.410   4.858   0.810
  262   1HB   PRO  37          2HB       PRO  37  13.088   5.176   3.506
  263   2HB   PRO  37          1HB       PRO  37  14.264   4.073   2.782
  264   1HG   PRO  37          2HG       PRO  37  14.673   6.833   3.865
  265   2HG   PRO  37          1HG       PRO  37  15.682   5.389   4.069
  266   1HD   PRO  37          2HD       PRO  37  16.312   7.325   2.309
  267   2HD   PRO  37          1HD       PRO  37  16.644   5.614   1.976
  268    HA   PRO  38           HA       PRO  38  10.113   7.822   0.654
  269   1HB   PRO  38          2HB       PRO  38   8.018   6.108   0.926
  270   2HB   PRO  38          1HB       PRO  38   8.955   6.257  -0.565
  271   1HG   PRO  38          2HG       PRO  38   9.153   4.213   1.607
  272   2HG   PRO  38          1HG       PRO  38   9.208   3.989  -0.152
  273   1HD   PRO  38          2HD       PRO  38  11.433   4.012   1.385
  274   2HD   PRO  38          1HD       PRO  38  11.420   4.601  -0.288
  275    H    SER  39           H        SER  39   8.544   8.825   1.965
  276    HA   SER  39           HA       SER  39   8.317   7.861   4.731
  277   1HB   SER  39          2HB       SER  39   9.943   9.991   4.039
  278   2HB   SER  39          1HB       SER  39   8.449  10.780   4.547
  279    HG   SER  39           HG       SER  39   8.698  10.016   6.540
  Start of MODEL   32
    1   1H    HIS   1          1HT       HIS   1 -21.122  12.261   6.910
    2   2H    HIS   1          2HT       HIS   1 -19.451  12.474   7.245
    3   3H    HIS   1          3HT       HIS   1 -20.213  13.421   6.032
    4    HA   HIS   1           HA       HIS   1 -19.870  14.701   7.985
    5   1HB   HIS   1          2HB       HIS   1 -22.657  13.924   7.171
    6   2HB   HIS   1          1HB       HIS   1 -22.410  15.133   8.426
    7    HD1  HIS   1           1HD      HIS   1 -20.784  17.206   7.606
    8    HD2  HIS   1           2HD      HIS   1 -22.665  14.953   4.664
    9    HE1  HIS   1           1HE      HIS   1 -20.715  18.620   5.529
   10    HE2  HIS   1           2HE      HIS   1 -21.937  17.273   3.786
   11    H    GLY   2           H        GLY   2 -19.368  14.554  10.070
   12   1HA   GLY   2          2HA       GLY   2 -20.416  14.095  12.313
   13   2HA   GLY   2          1HA       GLY   2 -20.709  12.477  11.693
   14    H    GLU   3           H        GLU   3 -18.248  12.053  10.382
   15    HA   GLU   3           HA       GLU   3 -16.139  11.303  10.741
   16   1HB   GLU   3          2HB       GLU   3 -16.247  13.827  12.028
   17   2HB   GLU   3          1HB       GLU   3 -15.372  12.747  13.102
   18   1HG   GLU   3          2HG       GLU   3 -14.340  12.243  10.561
   19   2HG   GLU   3          1HG       GLU   3 -14.518  13.995  10.658
   20    H    GLY   4           H        GLY   4 -17.141   9.287  11.356
   21   1HA   GLY   4          2HA       GLY   4 -17.379   8.718  14.205
   22   2HA   GLY   4          1HA       GLY   4 -17.797   7.636  12.886
   23    H    THR   5           H        THR   5 -15.983   6.673  11.669
   24    HA   THR   5           HA       THR   5 -13.725   6.123  13.477
   25    HB   THR   5           HB       THR   5 -14.509   4.399  11.135
   26    HG1  THR   5           1HG      THR   5 -15.559   4.291  13.769
   27   1HG2  THR   5          1HG2      THR   5 -12.362   3.908  12.200
   28   2HG2  THR   5          2HG2      THR   5 -13.529   2.604  12.426
   29   3HG2  THR   5          3HG2      THR   5 -13.183   3.717  13.748
   30    H    PHE   6           H        PHE   6 -13.460   8.447  12.159
   31    HA   PHE   6           HA       PHE   6 -11.922   7.980   9.723
   32   1HB   PHE   6          2HB       PHE   6 -13.398  10.215  10.870
   33   2HB   PHE   6          1HB       PHE   6 -11.811  10.699  10.280
   34    HD1  PHE   6           1HD      PHE   6 -14.956   9.011   9.294
   35    HD2  PHE   6           2HD      PHE   6 -11.415  10.981   7.993
   36    HE1  PHE   6           1HE      PHE   6 -15.836   9.069   6.996
   37    HE2  PHE   6           2HE      PHE   6 -12.288  11.042   5.696
   38    HZ   PHE   6           HZ       PHE   6 -14.501  10.086   5.194
   39    H    THR   7           H        THR   7 -11.152   7.631  12.816
   40    HA   THR   7           HA       THR   7  -8.549   8.983  12.605
   41    HB   THR   7           HB       THR   7  -9.868   9.653  14.560
   42    HG1  THR   7           1HG      THR   7  -7.803   9.750  15.109
   43   1HG2  THR   7          1HG2      THR   7 -10.313   8.119  16.388
   44   2HG2  THR   7          2HG2      THR   7  -9.722   6.772  15.415
   45   3HG2  THR   7          3HG2      THR   7 -11.180   7.638  14.929
   46    H    SER   8           H        SER   8 -10.131   5.902  13.224
   47    HA   SER   8           HA       SER   8  -7.579   4.536  13.533
   48   1HB   SER   8          2HB       SER   8  -9.549   3.975  14.984
   49   2HB   SER   8          1HB       SER   8 -10.359   3.345  13.550
   50    HG   SER   8           HG       SER   8  -9.130   1.625  13.604
   51    H    ASP   9           H        ASP   9 -10.366   4.538  11.343
   52    HA   ASP   9           HA       ASP   9  -9.280   2.595   9.567
   53   1HB   ASP   9          2HB       ASP   9 -11.726   3.128   9.803
   54   2HB   ASP   9          1HB       ASP   9 -11.420   4.636   8.948
   55    H    LEU  10           H        LEU  10  -9.455   6.134   9.498
   56    HA   LEU  10           HA       LEU  10  -8.280   6.492   6.968
   57   1HB   LEU  10          2HB       LEU  10  -9.501   8.206   8.423
   58   2HB   LEU  10          1HB       LEU  10  -7.977   8.414   9.263
   59    HG   LEU  10           HG       LEU  10  -7.941   8.688   6.303
   60   1HD1  LEU  10          1HD1      LEU  10  -9.210  10.674   8.171
   61   2HD1  LEU  10          2HD1      LEU  10  -9.898   9.950   6.717
   62   3HD1  LEU  10          3HD1      LEU  10  -8.575  11.107   6.583
   63   1HD2  LEU  10          1HD2      LEU  10  -6.214  10.253   6.746
   64   2HD2  LEU  10          2HD2      LEU  10  -5.935   8.880   7.818
   65   3HD2  LEU  10          3HD2      LEU  10  -6.655  10.361   8.451
   66    H    SER  11           H        SER  11  -6.842   6.399  10.222
   67    HA   SER  11           HA       SER  11  -4.194   6.936   9.454
   68   1HB   SER  11          2HB       SER  11  -3.547   6.033  11.627
   69   2HB   SER  11          1HB       SER  11  -4.994   7.028  11.799
   70    HG   SER  11           HG       SER  11  -5.007   4.920  12.891
   71    H    LYS  12           H        LYS  12  -6.025   3.927   9.589
   72    HA   LYS  12           HA       LYS  12  -3.836   2.175   9.165
   73   1HB   LYS  12          2HB       LYS  12  -6.312   1.719   9.942
   74   2HB   LYS  12          1HB       LYS  12  -6.591   1.493   8.223
   75   1HG   LYS  12          2HG       LYS  12  -6.173  -0.645   9.108
   76   2HG   LYS  12          1HG       LYS  12  -4.702  -0.174   8.254
   77   1HD   LYS  12          2HD       LYS  12  -3.512   0.150  10.212
   78   2HD   LYS  12          1HD       LYS  12  -4.967   0.398  11.176
   79   1HE   LYS  12          2HE       LYS  12  -5.176  -2.197  10.151
   80   2HE   LYS  12          1HE       LYS  12  -3.496  -2.026  10.660
   81   1HZ   LYS  12          1HZ       LYS  12  -4.966  -2.853  12.430
   82   2HZ   LYS  12          2HZ       LYS  12  -5.844  -1.408  12.371
   83   3HZ   LYS  12          3HZ       LYS  12  -4.220  -1.394  12.844
   84    H    GLN  13           H        GLN  13  -6.168   3.698   6.960
   85    HA   GLN  13           HA       GLN  13  -5.160   2.456   4.605
   86   1HB   GLN  13          2HB       GLN  13  -6.882   4.897   5.039
   87   2HB   GLN  13          1HB       GLN  13  -6.454   4.303   3.441
   88   1HG   GLN  13          2HG       GLN  13  -7.844   2.609   5.497
   89   2HG   GLN  13          1HG       GLN  13  -8.704   3.606   4.326
   90   1HE2  GLN  13          1HE2      GLN  13  -9.246   1.002   4.296
   91   2HE2  GLN  13          2HE2      GLN  13  -8.528   0.224   2.930
   92    H    MET  14           H        MET  14  -4.647   5.642   6.093
   93    HA   MET  14           HA       MET  14  -3.003   6.743   4.114
   94   1HB   MET  14          2HB       MET  14  -4.001   7.575   6.559
   95   2HB   MET  14          1HB       MET  14  -2.266   7.532   6.832
   96   1HG   MET  14          2HG       MET  14  -2.466   8.783   4.400
   97   2HG   MET  14          1HG       MET  14  -3.875   9.386   5.273
   98   1HE   MET  14          1HE       MET  14  -0.056   8.587   5.824
   99   2HE   MET  14          2HE       MET  14   0.535  10.213   6.172
  100   3HE   MET  14          3HE       MET  14  -0.177   9.850   4.600
  101    H    GLU  15           H        GLU  15  -2.169   4.870   7.017
  102    HA   GLU  15           HA       GLU  15   0.638   4.980   6.642
  103   1HB   GLU  15          2HB       GLU  15  -1.200   3.274   8.282
  104   2HB   GLU  15          1HB       GLU  15   0.496   2.836   8.143
  105   1HG   GLU  15          2HG       GLU  15   0.335   5.608   8.747
  106   2HG   GLU  15          1HG       GLU  15  -0.705   4.729   9.865
  107    H    GLU  16           H        GLU  16  -1.852   2.694   5.598
  108    HA   GLU  16           HA       GLU  16  -0.229   0.628   4.679
  109   1HB   GLU  16          2HB       GLU  16  -2.961   1.248   4.599
  110   2HB   GLU  16          1HB       GLU  16  -2.490   1.039   2.918
  111   1HG   GLU  16          2HG       GLU  16  -2.169  -0.946   5.156
  112   2HG   GLU  16          1HG       GLU  16  -3.263  -1.053   3.779
  113    H    GLU  17           H        GLU  17  -1.221   3.621   3.059
  114    HA   GLU  17           HA       GLU  17  -0.226   3.046   0.505
  115   1HB   GLU  17          2HB       GLU  17  -1.558   5.145   1.598
  116   2HB   GLU  17          1HB       GLU  17   0.046   5.841   1.425
  117   1HG   GLU  17          2HG       GLU  17  -1.438   4.504  -0.822
  118   2HG   GLU  17          1HG       GLU  17  -1.510   6.234  -0.491
  119    H    ALA  18           H        ALA  18   1.341   4.426   3.351
  120    HA   ALA  18           HA       ALA  18   3.816   5.070   2.163
  121   1HB   ALA  18          1HB       ALA  18   2.944   5.815   4.424
  122   2HB   ALA  18          2HB       ALA  18   4.645   5.352   4.358
  123   3HB   ALA  18          3HB       ALA  18   3.455   4.240   5.032
  124    H    VAL  19           H        VAL  19   2.592   2.108   3.661
  125    HA   VAL  19           HA       VAL  19   4.991   0.650   3.755
  126    HB   VAL  19           HB       VAL  19   2.232  -0.502   3.293
  127   1HG1  VAL  19          1HG1      VAL  19   3.048  -2.536   4.066
  128   2HG1  VAL  19          2HG1      VAL  19   4.466  -1.796   4.811
  129   3HG1  VAL  19          3HG1      VAL  19   4.363  -1.937   3.056
  130   1HG2  VAL  19          1HG2      VAL  19   3.586   0.411   5.817
  131   2HG2  VAL  19          2HG2      VAL  19   2.268  -0.764   5.820
  132   3HG2  VAL  19          3HG2      VAL  19   1.999   0.863   5.199
  133    H    ARG  20           H        ARG  20   2.547   0.950   1.188
  134    HA   ARG  20           HA       ARG  20   3.613  -0.924  -0.604
  135   1HB   ARG  20          2HB       ARG  20   1.686   1.278  -0.715
  136   2HB   ARG  20          1HB       ARG  20   2.549   1.050  -2.229
  137   1HG   ARG  20          2HG       ARG  20   1.372  -1.324  -0.873
  138   2HG   ARG  20          1HG       ARG  20   0.311  -0.215  -1.745
  139   1HD   ARG  20          2HD       ARG  20   2.587  -0.739  -3.370
  140   2HD   ARG  20          1HD       ARG  20   1.959  -2.279  -2.786
  141    HE   ARG  20           HE       ARG  20   0.016  -1.936  -3.997
  142   1HH1  ARG  20          1HH1      ARG  20   2.053   0.913  -4.179
  143   2HH1  ARG  20          2HH1      ARG  20   1.140   1.631  -5.461
  144   1HH2  ARG  20          1HH2      ARG  20  -1.180  -0.979  -5.684
  145   2HH2  ARG  20          2HH2      ARG  20  -0.695   0.560  -6.315
  146    H    LEU  21           H        LEU  21   4.294   2.549  -0.221
  147    HA   LEU  21           HA       LEU  21   6.090   2.777  -2.388
  148   1HB   LEU  21          2HB       LEU  21   5.430   4.378   0.020
  149   2HB   LEU  21          1HB       LEU  21   6.998   4.676  -0.704
  150    HG   LEU  21           HG       LEU  21   5.292   4.725  -2.878
  151   1HD1  LEU  21          1HD1      LEU  21   3.313   4.719  -1.532
  152   2HD1  LEU  21          2HD1      LEU  21   3.533   6.341  -2.187
  153   3HD1  LEU  21          3HD1      LEU  21   3.950   6.004  -0.506
  154   1HD2  LEU  21          1HD2      LEU  21   7.050   6.260  -2.736
  155   2HD2  LEU  21          2HD2      LEU  21   6.519   6.862  -1.165
  156   3HD2  LEU  21          3HD2      LEU  21   5.597   7.253  -2.617
  157    H    PHE  22           H        PHE  22   6.588   2.083   1.055
  158    HA   PHE  22           HA       PHE  22   9.401   1.959   1.007
  159   1HB   PHE  22          2HB       PHE  22   8.242   2.144   3.107
  160   2HB   PHE  22          1HB       PHE  22   7.358   0.653   2.813
  161    HD1  PHE  22           1HD      PHE  22   8.062  -1.225   3.893
  162    HD2  PHE  22           2HD      PHE  22  10.891   1.842   3.052
  163    HE1  PHE  22           1HE      PHE  22   9.792  -2.494   5.102
  164    HE2  PHE  22           2HE      PHE  22  12.626   0.579   4.258
  165    HZ   PHE  22           HZ       PHE  22  12.076  -1.591   5.286
  166    H    ILE  23           H        ILE  23   6.906  -0.507   0.516
  167    HA   ILE  23           HA       ILE  23   8.594  -2.744   0.279
  168    HB   ILE  23           HB       ILE  23   5.850  -2.166  -0.838
  169   1HG1  ILE  23          2HG1      ILE  23   6.585  -4.225   1.224
  170   2HG1  ILE  23          1HG1      ILE  23   6.379  -2.538   1.678
  171   1HG2  ILE  23          1HG2      ILE  23   6.847  -3.724  -2.373
  172   2HG2  ILE  23          2HG2      ILE  23   5.693  -4.586  -1.355
  173   3HG2  ILE  23          3HG2      ILE  23   7.424  -4.730  -1.042
  174   1HD1  ILE  23          1HD1      ILE  23   4.103  -2.555   1.008
  175   2HD1  ILE  23          2HD1      ILE  23   4.374  -3.986   2.004
  176   3HD1  ILE  23          3HD1      ILE  23   4.275  -4.139   0.249
  177    H    GLU  24           H        GLU  24   7.287  -0.521  -2.178
  178    HA   GLU  24           HA       GLU  24   8.496  -1.764  -4.411
  179   1HB   GLU  24          2HB       GLU  24   6.598  -0.046  -4.384
  180   2HB   GLU  24          1HB       GLU  24   7.849   1.174  -4.203
  181   1HG   GLU  24          2HG       GLU  24   8.879   0.194  -6.316
  182   2HG   GLU  24          1HG       GLU  24   7.348  -0.655  -6.523
  183    H    TRP  25           H        TRP  25   9.557   0.728  -2.167
  184    HA   TRP  25           HA       TRP  25  11.880   1.546  -3.542
  185   1HB   TRP  25          2HB       TRP  25  10.932   2.895  -1.760
  186   2HB   TRP  25          1HB       TRP  25  11.189   1.602  -0.595
  187    HD1  TRP  25           HD       TRP  25  13.255   4.045  -2.773
  188    HE1  TRP  25           1HE      TRP  25  15.484   4.489  -1.571
  189    HE3  TRP  25           3HE      TRP  25  12.721   0.806   1.146
  190    HZ2  TRP  25           2HZ      TRP  25  16.841   3.586   0.731
  191    HZ3  TRP  25           3HZ      TRP  25  14.536   0.655   2.804
  192    HH2  TRP  25           HH       TRP  25  16.554   2.017   2.598
  193    H    LEU  26           H        LEU  26  11.263  -1.037  -1.207
  194    HA   LEU  26           HA       LEU  26  13.991  -1.776  -0.858
  195   1HB   LEU  26          2HB       LEU  26  11.384  -3.155  -0.272
  196   2HB   LEU  26          1HB       LEU  26  12.925  -3.940   0.013
  197    HG   LEU  26           HG       LEU  26  12.023  -1.360   1.300
  198   1HD1  LEU  26          1HD1      LEU  26  11.870  -4.215   2.110
  199   2HD1  LEU  26          2HD1      LEU  26  10.744  -2.892   2.407
  200   3HD1  LEU  26          3HD1      LEU  26  12.231  -3.011   3.346
  201   1HD2  LEU  26          1HD2      LEU  26  14.480  -3.054   1.745
  202   2HD2  LEU  26          2HD2      LEU  26  13.999  -1.669   2.727
  203   3HD2  LEU  26          3HD2      LEU  26  14.434  -1.441   1.033
  204    H    LYS  27           H        LYS  27  11.347  -3.075  -2.862
  205    HA   LYS  27           HA       LYS  27  12.818  -5.211  -3.967
  206   1HB   LYS  27          2HB       LYS  27  11.046  -5.445  -5.552
  207   2HB   LYS  27          1HB       LYS  27  10.327  -4.986  -4.017
  208   1HG   LYS  27          2HG       LYS  27   9.787  -2.859  -4.760
  209   2HG   LYS  27          1HG       LYS  27  10.956  -2.912  -6.078
  210   1HD   LYS  27          2HD       LYS  27   9.127  -3.334  -7.331
  211   2HD   LYS  27          1HD       LYS  27   9.373  -4.986  -6.763
  212   1HE   LYS  27          2HE       LYS  27   7.643  -2.999  -5.310
  213   2HE   LYS  27          1HE       LYS  27   7.021  -4.061  -6.570
  214   1HZ   LYS  27          1HZ       LYS  27   6.620  -5.101  -4.495
  215   2HZ   LYS  27          2HZ       LYS  27   8.208  -4.856  -3.971
  216   3HZ   LYS  27          3HZ       LYS  27   7.889  -5.953  -5.219
  217    H    ASN  28           H        ASN  28  12.749  -1.814  -4.720
  218    HA   ASN  28           HA       ASN  28  13.937  -2.086  -7.329
  219   1HB   ASN  28          2HB       ASN  28  12.492  -0.122  -6.174
  220   2HB   ASN  28          1HB       ASN  28  14.110   0.494  -5.888
  221   1HD2  ASN  28          1HD2      ASN  28  11.590   0.568  -7.971
  222   2HD2  ASN  28          2HD2      ASN  28  12.419   1.017  -9.419
  223    H    GLY  29           H        GLY  29  15.175  -2.515  -4.269
  224   1HA   GLY  29          2HA       GLY  29  17.574  -3.158  -4.293
  225   2HA   GLY  29          1HA       GLY  29  17.865  -1.630  -5.108
  226    H    GLY  30           H        GLY  30  15.470  -1.084  -2.852
  227   1HA   GLY  30          2HA       GLY  30  15.427  -0.024  -0.827
  228   2HA   GLY  30          1HA       GLY  30  16.826  -1.000  -0.407
  229    HA   PRO  31           HA       PRO  31  18.659   3.104   0.009
  230   1HB   PRO  31          2HB       PRO  31  21.073   1.468   0.548
  231   2HB   PRO  31          1HB       PRO  31  20.340   2.749   1.518
  232   1HG   PRO  31          2HG       PRO  31  20.140   0.188   2.243
  233   2HG   PRO  31          1HG       PRO  31  18.798   1.320   2.486
  234   1HD   PRO  31          2HD       PRO  31  19.155  -0.778   0.384
  235   2HD   PRO  31          1HD       PRO  31  17.687  -0.299   1.262
  236    H    SER  32           H        SER  32  19.920   0.403  -1.885
  237    HA   SER  32           HA       SER  32  21.539   2.234  -3.497
  238   1HB   SER  32          2HB       SER  32  22.417  -0.004  -2.566
  239   2HB   SER  32          1HB       SER  32  21.444  -0.759  -3.828
  240    HG   SER  32           HG       SER  32  23.704   0.890  -4.059
  241    H    SER  33           H        SER  33  18.724   2.463  -3.754
  242    HA   SER  33           HA       SER  33  18.161   1.227  -6.358
  243   1HB   SER  33          2HB       SER  33  16.401   0.839  -4.773
  244   2HB   SER  33          1HB       SER  33  16.344   2.541  -4.327
  245    HG   SER  33           HG       SER  33  15.090   2.904  -5.967
  246    H    GLY  34           H        GLY  34  18.366   4.355  -4.712
  247   1HA   GLY  34          2HA       GLY  34  19.444   5.972  -6.461
  248   2HA   GLY  34          1HA       GLY  34  17.890   5.757  -7.247
  249    H    ALA  35           H        ALA  35  16.125   5.813  -5.215
  250    HA   ALA  35           HA       ALA  35  16.386   8.567  -4.233
  251   1HB   ALA  35          1HB       ALA  35  14.228   7.050  -5.350
  252   2HB   ALA  35          2HB       ALA  35  14.299   8.769  -4.963
  253   3HB   ALA  35          3HB       ALA  35  13.785   7.610  -3.737
  254    HA   PRO  36           HA       PRO  36  16.606   7.383   0.018
  255   1HB   PRO  36          2HB       PRO  36  14.983   9.162   1.265
  256   2HB   PRO  36          1HB       PRO  36  16.541   9.616   0.566
  257   1HG   PRO  36          2HG       PRO  36  13.789   9.948  -0.565
  258   2HG   PRO  36          1HG       PRO  36  15.142  11.092  -0.564
  259   1HD   PRO  36          2HD       PRO  36  14.496   9.585  -2.723
  260   2HD   PRO  36          1HD       PRO  36  16.162  10.081  -2.364
  261    HA   PRO  37           HA       PRO  37  13.325   4.658   1.180
  262   1HB   PRO  37          2HB       PRO  37  13.362   4.804   3.903
  263   2HB   PRO  37          1HB       PRO  37  14.570   3.930   2.956
  264   1HG   PRO  37          2HG       PRO  37  14.727   6.665   4.159
  265   2HG   PRO  37          1HG       PRO  37  15.958   5.389   4.116
  266   1HD   PRO  37          2HD       PRO  37  16.008   7.491   2.425
  267   2HD   PRO  37          1HD       PRO  37  16.570   5.877   1.943
  268    HA   PRO  38           HA       PRO  38   9.850   7.480   1.643
  269   1HB   PRO  38          2HB       PRO  38   7.909   5.678   1.089
  270   2HB   PRO  38          1HB       PRO  38   8.929   6.390  -0.167
  271   1HG   PRO  38          2HG       PRO  38   9.138   3.718   1.160
  272   2HG   PRO  38          1HG       PRO  38   9.343   4.138  -0.549
  273   1HD   PRO  38          2HD       PRO  38  11.432   3.734   1.156
  274   2HD   PRO  38          1HD       PRO  38  11.516   4.812  -0.248
  275    H    SER  39           H        SER  39   9.658   8.003   3.768
  276    HA   SER  39           HA       SER  39   8.801   8.013   5.871
  277   1HB   SER  39          2HB       SER  39   7.343   5.456   5.166
  278   2HB   SER  39          1HB       SER  39   6.951   6.587   6.461
  279    HG   SER  39           HG       SER  39   6.381   6.715   3.769
  Start of MODEL   33
    1   1H    HIS   1          1HT       HIS   1 -18.451   2.827   8.728
    2   2H    HIS   1          2HT       HIS   1 -20.071   2.792   9.294
    3   3H    HIS   1          3HT       HIS   1 -18.883   3.698  10.141
    4    HA   HIS   1           HA       HIS   1 -18.621   5.143   8.273
    5   1HB   HIS   1          2HB       HIS   1 -19.586   3.087   6.813
    6   2HB   HIS   1          1HB       HIS   1 -21.054   4.046   6.966
    7    HD1  HIS   1           1HD      HIS   1 -17.472   5.186   6.352
    8    HD2  HIS   1           2HD      HIS   1 -21.237   5.349   4.603
    9    HE1  HIS   1           1HE      HIS   1 -17.204   6.632   4.312
   10    HE2  HIS   1           2HE      HIS   1 -19.473   6.636   3.218
   11    H    GLY   2           H        GLY   2 -19.221   6.692   9.713
   12   1HA   GLY   2          2HA       GLY   2 -22.125   7.109  10.057
   13   2HA   GLY   2          1HA       GLY   2 -21.016   7.274  11.409
   14    H    GLU   3           H        GLU   3 -20.663   9.328  11.905
   15    HA   GLU   3           HA       GLU   3 -20.210  11.249   9.729
   16   1HB   GLU   3          2HB       GLU   3 -22.153  11.480  12.001
   17   2HB   GLU   3          1HB       GLU   3 -21.416  12.929  11.333
   18   1HG   GLU   3          2HG       GLU   3 -22.680  12.875   9.498
   19   2HG   GLU   3          1HG       GLU   3 -22.504  11.131   9.308
   20    H    GLY   4           H        GLY   4 -18.065  10.217  10.767
   21   1HA   GLY   4          2HA       GLY   4 -16.342  12.039  11.550
   22   2HA   GLY   4          1HA       GLY   4 -17.193  11.806  13.069
   23    H    THR   5           H        THR   5 -15.912   9.651  10.521
   24    HA   THR   5           HA       THR   5 -14.341   8.270  12.588
   25    HB   THR   5           HB       THR   5 -16.429   7.000  12.106
   26    HG1  THR   5           1HG      THR   5 -14.794   5.725  12.765
   27   1HG2  THR   5          1HG2      THR   5 -16.527   7.625   9.658
   28   2HG2  THR   5          2HG2      THR   5 -16.853   5.939  10.059
   29   3HG2  THR   5          3HG2      THR   5 -15.283   6.402   9.401
   30    H    PHE   6           H        PHE   6 -13.678  10.248  10.443
   31    HA   PHE   6           HA       PHE   6 -12.096   8.696   8.563
   32   1HB   PHE   6          2HB       PHE   6 -13.290  11.272   8.539
   33   2HB   PHE   6          1HB       PHE   6 -11.551  11.499   8.376
   34    HD1  PHE   6           1HD      PHE   6 -14.460   9.715   6.935
   35    HD2  PHE   6           2HD      PHE   6 -10.467  11.070   6.350
   36    HE1  PHE   6           1HE      PHE   6 -14.610   9.115   4.552
   37    HE2  PHE   6           2HE      PHE   6 -10.610  10.475   3.966
   38    HZ   PHE   6           HZ       PHE   6 -12.682   9.497   3.065
   39    H    THR   7           H        THR   7 -11.639  10.480  11.520
   40    HA   THR   7           HA       THR   7  -8.926  11.100  11.342
   41    HB   THR   7           HB       THR   7 -10.397  11.932  13.133
   42    HG1  THR   7           1HG      THR   7  -8.359  12.161  13.752
   43   1HG2  THR   7          1HG2      THR   7 -10.126   9.252  14.461
   44   2HG2  THR   7          2HG2      THR   7 -11.568   9.759  13.580
   45   3HG2  THR   7          3HG2      THR   7 -11.046  10.654  15.007
   46    H    SER   8           H        SER   8 -10.517   8.082  12.215
   47    HA   SER   8           HA       SER   8  -7.981   6.785  12.803
   48   1HB   SER   8          2HB       SER   8 -10.798   5.677  12.799
   49   2HB   SER   8          1HB       SER   8  -9.362   4.816  13.352
   50    HG   SER   8           HG       SER   8 -10.762   6.906  14.552
   51    H    ASP   9           H        ASP   9 -10.524   6.719  10.357
   52    HA   ASP   9           HA       ASP   9  -9.572   4.530   8.870
   53   1HB   ASP   9          2HB       ASP   9 -11.844   5.483   8.625
   54   2HB   ASP   9          1HB       ASP   9 -11.145   6.915   7.874
   55    H    LEU  10           H        LEU  10  -8.876   7.987   8.654
   56    HA   LEU  10           HA       LEU  10  -7.337   7.904   6.299
   57   1HB   LEU  10          2HB       LEU  10  -8.292   9.941   7.536
   58   2HB   LEU  10          1HB       LEU  10  -6.858   9.846   8.542
   59    HG   LEU  10           HG       LEU  10  -5.578   9.915   6.263
   60   1HD1  LEU  10          1HD1      LEU  10  -7.808  11.600   5.313
   61   2HD1  LEU  10          2HD1      LEU  10  -8.030   9.854   5.186
   62   3HD1  LEU  10          3HD1      LEU  10  -6.648  10.627   4.408
   63   1HD2  LEU  10          1HD2      LEU  10  -4.997  11.809   7.271
   64   2HD2  LEU  10          2HD2      LEU  10  -6.563  11.937   8.072
   65   3HD2  LEU  10          3HD2      LEU  10  -6.348  12.586   6.447
   66    H    SER  11           H        SER  11  -6.483   7.454   9.699
   67    HA   SER  11           HA       SER  11  -3.689   7.449   9.411
   68   1HB   SER  11          2HB       SER  11  -5.397   5.967  11.425
   69   2HB   SER  11          1HB       SER  11  -3.661   6.238  11.567
   70    HG   SER  11           HG       SER  11  -5.773   7.980  11.969
   71    H    LYS  12           H        LYS  12  -6.091   4.910   8.995
   72    HA   LYS  12           HA       LYS  12  -4.222   2.771   8.746
   73   1HB   LYS  12          2HB       LYS  12  -6.615   2.481   9.383
   74   2HB   LYS  12          1HB       LYS  12  -7.069   2.910   7.739
   75   1HG   LYS  12          2HG       LYS  12  -5.791   0.960   6.917
   76   2HG   LYS  12          1HG       LYS  12  -5.457   0.514   8.591
   77   1HD   LYS  12          2HD       LYS  12  -7.306  -0.795   8.010
   78   2HD   LYS  12          1HD       LYS  12  -8.002   0.555   8.908
   79   1HE   LYS  12          2HE       LYS  12  -8.653   1.648   6.868
   80   2HE   LYS  12          1HE       LYS  12  -7.815   0.434   5.902
   81   1HZ   LYS  12          1HZ       LYS  12 -10.227   0.022   7.583
   82   2HZ   LYS  12          2HZ       LYS  12  -9.366  -1.233   6.843
   83   3HZ   LYS  12          3HZ       LYS  12 -10.131  -0.059   5.895
   84    H    GLN  13           H        GLN  13  -6.087   4.662   6.352
   85    HA   GLN  13           HA       GLN  13  -5.001   3.349   4.089
   86   1HB   GLN  13          2HB       GLN  13  -5.936   5.192   2.778
   87   2HB   GLN  13          1HB       GLN  13  -7.095   4.604   3.961
   88   1HG   GLN  13          2HG       GLN  13  -6.539   6.491   5.426
   89   2HG   GLN  13          1HG       GLN  13  -5.415   7.089   4.207
   90   1HE2  GLN  13          1HE2      GLN  13  -8.725   6.762   5.139
   91   2HE2  GLN  13          2HE2      GLN  13  -9.396   7.734   3.880
   92    H    MET  14           H        MET  14  -3.937   6.109   5.980
   93    HA   MET  14           HA       MET  14  -1.967   7.016   4.136
   94   1HB   MET  14          2HB       MET  14  -2.490   7.491   7.057
   95   2HB   MET  14          1HB       MET  14  -1.019   8.094   6.306
   96   1HG   MET  14          2HG       MET  14  -3.516   8.719   4.884
   97   2HG   MET  14          1HG       MET  14  -3.323   9.480   6.461
   98   1HE   MET  14          1HE       MET  14  -0.733  11.994   6.214
   99   2HE   MET  14          2HE       MET  14   0.002  10.424   6.538
  100   3HE   MET  14          3HE       MET  14  -1.583  10.811   7.209
  101    H    GLU  15           H        GLU  15  -1.988   4.698   6.791
  102    HA   GLU  15           HA       GLU  15   0.845   4.298   6.826
  103   1HB   GLU  15          2HB       GLU  15  -1.409   3.423   8.357
  104   2HB   GLU  15          1HB       GLU  15  -0.483   2.012   7.870
  105   1HG   GLU  15          2HG       GLU  15   0.233   2.837  10.038
  106   2HG   GLU  15          1HG       GLU  15   1.525   2.967   8.848
  107    H    GLU  16           H        GLU  16  -1.903   2.446   5.492
  108    HA   GLU  16           HA       GLU  16  -0.415   0.317   4.446
  109   1HB   GLU  16          2HB       GLU  16  -2.336  -0.186   3.070
  110   2HB   GLU  16          1HB       GLU  16  -2.883   0.320   4.662
  111   1HG   GLU  16          2HG       GLU  16  -3.288   2.589   3.720
  112   2HG   GLU  16          1HG       GLU  16  -2.918   1.935   2.126
  113    H    GLU  17           H        GLU  17  -1.103   3.511   3.123
  114    HA   GLU  17           HA       GLU  17  -0.135   2.988   0.503
  115   1HB   GLU  17          2HB       GLU  17  -1.571   4.988   1.480
  116   2HB   GLU  17          1HB       GLU  17   0.011   5.729   1.678
  117   1HG   GLU  17          2HG       GLU  17  -0.335   4.549  -0.950
  118   2HG   GLU  17          1HG       GLU  17  -1.551   5.774  -0.590
  119    H    ALA  18           H        ALA  18   1.353   4.217   3.458
  120    HA   ALA  18           HA       ALA  18   3.863   4.875   2.303
  121   1HB   ALA  18          1HB       ALA  18   4.640   5.214   4.508
  122   2HB   ALA  18          2HB       ALA  18   3.418   4.141   5.188
  123   3HB   ALA  18          3HB       ALA  18   2.946   5.703   4.516
  124    H    VAL  19           H        VAL  19   2.629   1.981   3.951
  125    HA   VAL  19           HA       VAL  19   5.038   0.531   4.041
  126    HB   VAL  19           HB       VAL  19   2.179  -0.450   3.911
  127   1HG1  VAL  19          1HG1      VAL  19   3.205  -2.388   3.304
  128   2HG1  VAL  19          2HG1      VAL  19   3.426  -2.503   5.049
  129   3HG1  VAL  19          3HG1      VAL  19   4.746  -1.932   4.030
  130   1HG2  VAL  19          1HG2      VAL  19   2.629   0.838   5.897
  131   2HG2  VAL  19          2HG2      VAL  19   4.099  -0.083   6.207
  132   3HG2  VAL  19          3HG2      VAL  19   2.524  -0.867   6.328
  133    H    ARG  20           H        ARG  20   2.457   0.635   1.588
  134    HA   ARG  20           HA       ARG  20   3.515  -1.312  -0.141
  135   1HB   ARG  20          2HB       ARG  20   1.251   0.231  -0.112
  136   2HB   ARG  20          1HB       ARG  20   2.143   0.949  -1.446
  137   1HG   ARG  20          2HG       ARG  20   2.383  -1.390  -2.373
  138   2HG   ARG  20          1HG       ARG  20   1.206  -1.891  -1.158
  139   1HD   ARG  20          2HD       ARG  20  -0.471  -1.166  -2.424
  140   2HD   ARG  20          1HD       ARG  20   0.245   0.442  -2.511
  141    HE   ARG  20           HE       ARG  20   1.557  -1.307  -4.301
  142   1HH1  ARG  20          1HH1      ARG  20  -1.458   0.434  -3.917
  143   2HH1  ARG  20          2HH1      ARG  20  -1.746   0.555  -5.619
  144   1HH2  ARG  20          1HH2      ARG  20   1.169  -1.145  -6.542
  145   2HH2  ARG  20          2HH2      ARG  20  -0.256  -0.343  -7.109
  146    H    LEU  21           H        LEU  21   4.049   2.192   0.054
  147    HA   LEU  21           HA       LEU  21   5.689   2.401  -2.246
  148   1HB   LEU  21          2HB       LEU  21   4.825   4.118  -0.078
  149   2HB   LEU  21          1HB       LEU  21   6.521   4.377  -0.435
  150    HG   LEU  21           HG       LEU  21   5.075   5.932  -1.664
  151   1HD1  LEU  21          1HD1      LEU  21   5.872   4.768  -4.047
  152   2HD1  LEU  21          2HD1      LEU  21   7.014   4.144  -2.858
  153   3HD1  LEU  21          3HD1      LEU  21   6.809   5.885  -3.053
  154   1HD2  LEU  21          1HD2      LEU  21   3.129   4.416  -1.857
  155   2HD2  LEU  21          2HD2      LEU  21   4.008   3.488  -3.073
  156   3HD2  LEU  21          3HD2      LEU  21   3.573   5.169  -3.386
  157    H    PHE  22           H        PHE  22   6.399   1.882   1.188
  158    HA   PHE  22           HA       PHE  22   9.213   1.928   0.980
  159   1HB   PHE  22          2HB       PHE  22   8.197   2.153   3.143
  160   2HB   PHE  22          1HB       PHE  22   7.354   0.617   2.973
  161    HD1  PHE  22           1HD      PHE  22   8.206  -1.184   4.087
  162    HD2  PHE  22           2HD      PHE  22  10.842   1.948   2.923
  163    HE1  PHE  22           1HE      PHE  22  10.068  -2.333   5.222
  164    HE2  PHE  22           2HE      PHE  22  12.706   0.807   4.054
  165    HZ   PHE  22           HZ       PHE  22  12.321  -1.336   5.202
  166    H    ILE  23           H        ILE  23   6.836  -0.692   0.757
  167    HA   ILE  23           HA       ILE  23   8.613  -2.856   0.532
  168    HB   ILE  23           HB       ILE  23   5.804  -2.458  -0.503
  169   1HG1  ILE  23          2HG1      ILE  23   6.696  -4.361   1.643
  170   2HG1  ILE  23          1HG1      ILE  23   6.434  -2.660   2.011
  171   1HG2  ILE  23          1HG2      ILE  23   5.672  -4.784  -1.054
  172   2HG2  ILE  23          2HG2      ILE  23   7.319  -5.061  -0.484
  173   3HG2  ILE  23          3HG2      ILE  23   7.036  -4.085  -1.926
  174   1HD1  ILE  23          1HD1      ILE  23   4.356  -4.437   0.766
  175   2HD1  ILE  23          2HD1      ILE  23   4.136  -2.809   1.405
  176   3HD1  ILE  23          3HD1      ILE  23   4.501  -4.144   2.499
  177    H    GLU  24           H        GLU  24   7.100  -0.805  -1.952
  178    HA   GLU  24           HA       GLU  24   8.274  -2.087  -4.184
  179   1HB   GLU  24          2HB       GLU  24   6.292  -0.476  -4.156
  180   2HB   GLU  24          1HB       GLU  24   7.477   0.819  -4.058
  181   1HG   GLU  24          2HG       GLU  24   8.472   0.017  -6.172
  182   2HG   GLU  24          1HG       GLU  24   7.187  -1.187  -6.283
  183    H    TRP  25           H        TRP  25   9.289   0.570  -2.104
  184    HA   TRP  25           HA       TRP  25  11.504   1.438  -3.610
  185   1HB   TRP  25          2HB       TRP  25  10.584   2.825  -1.848
  186   2HB   TRP  25          1HB       TRP  25  10.947   1.597  -0.639
  187    HD1  TRP  25           HD       TRP  25  12.809   4.019  -3.014
  188    HE1  TRP  25           1HE      TRP  25  15.075   4.600  -1.941
  189    HE3  TRP  25           3HE      TRP  25  12.587   0.940   1.054
  190    HZ2  TRP  25           2HZ      TRP  25  16.569   3.855   0.335
  191    HZ3  TRP  25           3HZ      TRP  25  14.476   0.933   2.634
  192    HH2  TRP  25           HH       TRP  25  16.424   2.359   2.279
  193    H    LEU  26           H        LEU  26  11.123  -1.119  -1.204
  194    HA   LEU  26           HA       LEU  26  13.928  -1.680  -1.001
  195   1HB   LEU  26          2HB       LEU  26  11.450  -3.162  -0.155
  196   2HB   LEU  26          1HB       LEU  26  13.053  -3.841   0.053
  197    HG   LEU  26           HG       LEU  26  12.026  -1.292   1.304
  198   1HD1  LEU  26          1HD1      LEU  26  12.620  -2.757   3.387
  199   2HD1  LEU  26          2HD1      LEU  26  12.375  -4.092   2.261
  200   3HD1  LEU  26          3HD1      LEU  26  11.069  -2.947   2.571
  201   1HD2  LEU  26          1HD2      LEU  26  14.411  -1.148   0.732
  202   2HD2  LEU  26          2HD2      LEU  26  14.702  -2.647   1.617
  203   3HD2  LEU  26          3HD2      LEU  26  14.153  -1.210   2.477
  204    H    LYS  27           H        LYS  27  11.242  -2.905  -2.915
  205    HA   LYS  27           HA       LYS  27  12.525  -5.176  -3.984
  206   1HB   LYS  27          2HB       LYS  27  10.064  -3.670  -4.466
  207   2HB   LYS  27          1HB       LYS  27  10.731  -4.389  -5.926
  208   1HG   LYS  27          2HG       LYS  27  10.908  -6.454  -4.151
  209   2HG   LYS  27          1HG       LYS  27   9.426  -5.646  -3.637
  210   1HD   LYS  27          2HD       LYS  27   9.779  -6.064  -6.547
  211   2HD   LYS  27          1HD       LYS  27   9.483  -7.501  -5.566
  212   1HE   LYS  27          2HE       LYS  27   7.491  -6.362  -4.609
  213   2HE   LYS  27          1HE       LYS  27   7.760  -5.032  -5.737
  214   1HZ   LYS  27          1HZ       LYS  27   7.328  -6.440  -7.564
  215   2HZ   LYS  27          2HZ       LYS  27   6.094  -6.741  -6.449
  216   3HZ   LYS  27          3HZ       LYS  27   7.371  -7.839  -6.613
  217    H    ASN  28           H        ASN  28  12.453  -1.788  -5.019
  218    HA   ASN  28           HA       ASN  28  13.743  -2.307  -7.524
  219   1HB   ASN  28          2HB       ASN  28  13.817   0.081  -7.816
  220   2HB   ASN  28          1HB       ASN  28  12.254  -0.349  -7.131
  221   1HD2  ASN  28          1HD2      ASN  28  11.765   1.531  -6.151
  222   2HD2  ASN  28          2HD2      ASN  28  12.682   2.228  -4.864
  223    H    GLY  29           H        GLY  29  14.929  -2.249  -4.360
  224   1HA   GLY  29          2HA       GLY  29  17.379  -2.991  -4.476
  225   2HA   GLY  29          1HA       GLY  29  17.616  -1.438  -5.256
  226    H    GLY  30           H        GLY  30  15.321  -0.614  -3.168
  227   1HA   GLY  30          2HA       GLY  30  15.267   0.368  -1.100
  228   2HA   GLY  30          1HA       GLY  30  16.563  -0.722  -0.635
  229    HA   PRO  31           HA       PRO  31  18.671   3.261  -0.197
  230   1HB   PRO  31          2HB       PRO  31  20.867   1.514   0.730
  231   2HB   PRO  31          1HB       PRO  31  20.088   2.872   1.547
  232   1HG   PRO  31          2HG       PRO  31  19.660   0.348   2.327
  233   2HG   PRO  31          1HG       PRO  31  18.367   1.562   2.368
  234   1HD   PRO  31          2HD       PRO  31  18.859  -0.618   0.374
  235   2HD   PRO  31          1HD       PRO  31  17.327  -0.056   1.078
  236    H    SER  32           H        SER  32  19.813   0.376  -1.854
  237    HA   SER  32           HA       SER  32  21.907   1.875  -3.224
  238   1HB   SER  32          2HB       SER  32  21.233  -1.021  -2.910
  239   2HB   SER  32          1HB       SER  32  22.182  -0.523  -4.309
  240    HG   SER  32           HG       SER  32  22.860  -0.566  -1.625
  241    H    SER  33           H        SER  33  19.177   2.604  -3.775
  242    HA   SER  33           HA       SER  33  18.919   1.740  -6.580
  243   1HB   SER  33          2HB       SER  33  16.996   1.260  -4.961
  244   2HB   SER  33          1HB       SER  33  16.715   3.001  -4.950
  245    HG   SER  33           HG       SER  33  15.590   2.609  -6.676
  246    H    GLY  34           H        GLY  34  19.101   4.497  -4.407
  247   1HA   GLY  34          2HA       GLY  34  20.297   6.427  -5.451
  248   2HA   GLY  34          1HA       GLY  34  19.136   6.287  -6.760
  249    H    ALA  35           H        ALA  35  16.797   5.890  -5.318
  250    HA   ALA  35           HA       ALA  35  16.339   8.581  -4.326
  251   1HB   ALA  35          1HB       ALA  35  13.995   8.060  -4.465
  252   2HB   ALA  35          2HB       ALA  35  14.348   6.348  -4.700
  253   3HB   ALA  35          3HB       ALA  35  14.789   7.518  -5.944
  254    HA   PRO  36           HA       PRO  36  16.364   7.566  -0.024
  255   1HB   PRO  36          2HB       PRO  36  14.557   9.339   0.950
  256   2HB   PRO  36          1HB       PRO  36  16.164   9.817   0.390
  257   1HG   PRO  36          2HG       PRO  36  13.535   9.976  -1.035
  258   2HG   PRO  36          1HG       PRO  36  14.839  11.175  -0.958
  259   1HD   PRO  36          2HD       PRO  36  14.481   9.536  -3.086
  260   2HD   PRO  36          1HD       PRO  36  16.084  10.109  -2.579
  261    HA   PRO  37           HA       PRO  37  13.057   4.789   0.916
  262   1HB   PRO  37          2HB       PRO  37  13.023   4.857   3.630
  263   2HB   PRO  37          1HB       PRO  37  14.307   4.070   2.708
  264   1HG   PRO  37          2HG       PRO  37  14.278   6.779   3.982
  265   2HG   PRO  37          1HG       PRO  37  15.568   5.562   3.969
  266   1HD   PRO  37          2HD       PRO  37  15.571   7.709   2.315
  267   2HD   PRO  37          1HD       PRO  37  16.271   6.144   1.853
  268    HA   PRO  38           HA       PRO  38   9.506   7.493   1.355
  269   1HB   PRO  38          2HB       PRO  38   7.603   5.615   0.940
  270   2HB   PRO  38          1HB       PRO  38   8.587   6.276  -0.372
  271   1HG   PRO  38          2HG       PRO  38   8.889   3.698   1.114
  272   2HG   PRO  38          1HG       PRO  38   9.041   4.011  -0.624
  273   1HD   PRO  38          2HD       PRO  38  11.180   3.765   1.038
  274   2HD   PRO  38          1HD       PRO  38  11.196   4.774  -0.423
  275    H    SER  39           H        SER  39   9.227   8.153   3.427
  276    HA   SER  39           HA       SER  39   8.751   6.276   5.571
  277   1HB   SER  39          2HB       SER  39   8.553   8.369   6.969
  278   2HB   SER  39          1HB       SER  39  10.090   8.188   6.122
  279    HG   SER  39           HG       SER  39   9.508  10.227   5.679
  Start of MODEL   34
    1   1H    HIS   1          1HT       HIS   1 -17.591  12.377  20.482
    2   2H    HIS   1          2HT       HIS   1 -16.802  11.648  21.820
    3   3H    HIS   1          3HT       HIS   1 -17.464  13.223  21.967
    4    HA   HIS   1           HA       HIS   1 -18.909  11.776  23.042
    5   1HB   HIS   1          2HB       HIS   1 -19.829  12.634  20.295
    6   2HB   HIS   1          1HB       HIS   1 -20.933  11.975  21.497
    7    HD1  HIS   1           1HD      HIS   1 -19.314  13.614  23.852
    8    HD2  HIS   1           2HD      HIS   1 -21.161  15.116  20.445
    9    HE1  HIS   1           1HE      HIS   1 -19.830  16.018  24.370
   10    HE2  HIS   1           2HE      HIS   1 -21.031  16.879  22.330
   11    H    GLY   2           H        GLY   2 -18.750  10.703  19.623
   12   1HA   GLY   2          2HA       GLY   2 -19.538   8.012  20.471
   13   2HA   GLY   2          1HA       GLY   2 -19.508   8.610  18.820
   14    H    GLU   3           H        GLU   3 -17.092   9.417  18.280
   15    HA   GLU   3           HA       GLU   3 -14.948   8.840  17.812
   16   1HB   GLU   3          2HB       GLU   3 -15.316   7.913  20.542
   17   2HB   GLU   3          1HB       GLU   3 -14.172   6.908  19.664
   18   1HG   GLU   3          2HG       GLU   3 -14.018   9.900  19.959
   19   2HG   GLU   3          1HG       GLU   3 -13.070   8.723  20.865
   20    H    GLY   4           H        GLY   4 -13.664   7.139  16.868
   21   1HA   GLY   4          2HA       GLY   4 -13.333   5.153  15.743
   22   2HA   GLY   4          1HA       GLY   4 -14.669   4.468  16.657
   23    H    THR   5           H        THR   5 -14.119   6.867  14.064
   24    HA   THR   5           HA       THR   5 -16.410   5.722  12.637
   25    HB   THR   5           HB       THR   5 -16.870   8.011  11.775
   26    HG1  THR   5           1HG      THR   5 -15.733   9.687  12.447
   27   1HG2  THR   5          1HG2      THR   5 -16.923   8.169  14.756
   28   2HG2  THR   5          2HG2      THR   5 -17.958   7.036  13.886
   29   3HG2  THR   5          3HG2      THR   5 -18.093   8.768  13.582
   30    H    PHE   6           H        PHE   6 -15.198   8.170  10.893
   31    HA   PHE   6           HA       PHE   6 -13.949   6.412   8.997
   32   1HB   PHE   6          2HB       PHE   6 -13.811   8.358   7.547
   33   2HB   PHE   6          1HB       PHE   6 -15.412   8.269   8.269
   34    HD1  PHE   6           1HD      PHE   6 -12.237  10.097   8.205
   35    HD2  PHE   6           2HD      PHE   6 -16.169   9.937   9.825
   36    HE1  PHE   6           1HE      PHE   6 -11.994  12.408   9.011
   37    HE2  PHE   6           2HE      PHE   6 -15.934  12.248  10.635
   38    HZ   PHE   6           HZ       PHE   6 -13.846  13.487  10.227
   39    H    THR   7           H        THR   7 -12.890   8.723  11.398
   40    HA   THR   7           HA       THR   7 -10.294   9.218  10.489
   41    HB   THR   7           HB       THR   7 -11.337  10.514  12.280
   42    HG1  THR   7           1HG      THR   7  -9.431  10.927  13.024
   43   1HG2  THR   7          1HG2      THR   7 -11.869   9.772  14.369
   44   2HG2  THR   7          2HG2      THR   7 -10.748   8.412  14.295
   45   3HG2  THR   7          3HG2      THR   7 -12.273   8.347  13.412
   46    H    SER   8           H        SER   8 -11.565   6.557  12.435
   47    HA   SER   8           HA       SER   8  -9.086   5.409  13.133
   48   1HB   SER   8          2HB       SER   8 -10.427   3.325  13.533
   49   2HB   SER   8          1HB       SER   8 -11.065   4.757  14.342
   50    HG   SER   8           HG       SER   8 -12.798   4.666  13.138
   51    H    ASP   9           H        ASP   9 -11.248   4.861  10.387
   52    HA   ASP   9           HA       ASP   9  -9.675   2.768   9.248
   53   1HB   ASP   9          2HB       ASP   9 -12.154   4.134   8.634
   54   2HB   ASP   9          1HB       ASP   9 -11.181   3.919   7.183
   55    H    LEU  10           H        LEU  10  -9.837   6.258   8.814
   56    HA   LEU  10           HA       LEU  10  -8.233   6.454   6.511
   57   1HB   LEU  10          2HB       LEU  10  -9.493   8.232   8.325
   58   2HB   LEU  10          1HB       LEU  10  -7.812   8.716   8.214
   59    HG   LEU  10           HG       LEU  10  -9.301   8.211   5.680
   60   1HD1  LEU  10          1HD1      LEU  10 -10.361  10.294   5.653
   61   2HD1  LEU  10          2HD1      LEU  10  -9.476  10.865   7.068
   62   3HD1  LEU  10          3HD1      LEU  10 -10.726   9.635   7.247
   63   1HD2  LEU  10          1HD2      LEU  10  -7.862  10.101   4.946
   64   2HD2  LEU  10          2HD2      LEU  10  -6.958   8.702   5.523
   65   3HD2  LEU  10          3HD2      LEU  10  -7.139  10.121   6.554
   66    H    SER  11           H        SER  11  -7.422   6.246   9.938
   67    HA   SER  11           HA       SER  11  -4.714   6.948   9.789
   68   1HB   SER  11          2HB       SER  11  -6.155   5.082  11.684
   69   2HB   SER  11          1HB       SER  11  -4.484   5.606  11.902
   70    HG   SER  11           HG       SER  11  -6.309   6.834  12.962
   71    H    LYS  12           H        LYS  12  -6.325   3.823   9.400
   72    HA   LYS  12           HA       LYS  12  -3.889   2.363   9.010
   73   1HB   LYS  12          2HB       LYS  12  -6.618   1.729   9.410
   74   2HB   LYS  12          1HB       LYS  12  -6.155   1.010   7.874
   75   1HG   LYS  12          2HG       LYS  12  -4.091   0.160   9.235
   76   2HG   LYS  12          1HG       LYS  12  -5.151   0.435  10.620
   77   1HD   LYS  12          2HD       LYS  12  -6.811  -1.052   9.704
   78   2HD   LYS  12          1HD       LYS  12  -5.882  -1.233   8.215
   79   1HE   LYS  12          2HE       LYS  12  -5.053  -3.073   9.192
   80   2HE   LYS  12          1HE       LYS  12  -4.049  -1.947  10.104
   81   1HZ   LYS  12          1HZ       LYS  12  -5.167  -3.532  11.549
   82   2HZ   LYS  12          2HZ       LYS  12  -6.676  -3.014  10.991
   83   3HZ   LYS  12          3HZ       LYS  12  -5.692  -1.956  11.869
   84    H    GLN  13           H        GLN  13  -6.236   3.937   6.913
   85    HA   GLN  13           HA       GLN  13  -5.340   2.805   4.472
   86   1HB   GLN  13          2HB       GLN  13  -7.481   4.303   5.171
   87   2HB   GLN  13          1HB       GLN  13  -6.483   5.537   4.414
   88   1HG   GLN  13          2HG       GLN  13  -6.768   4.696   2.349
   89   2HG   GLN  13          1HG       GLN  13  -6.750   3.024   2.910
   90   1HE2  GLN  13          1HE2      GLN  13  -8.726   5.895   2.532
   91   2HE2  GLN  13          2HE2      GLN  13 -10.250   5.084   2.589
   92    H    MET  14           H        MET  14  -4.286   5.554   6.379
   93    HA   MET  14           HA       MET  14  -2.617   6.659   4.315
   94   1HB   MET  14          2HB       MET  14  -3.046   7.217   7.230
   95   2HB   MET  14          1HB       MET  14  -1.639   7.890   6.418
   96   1HG   MET  14          2HG       MET  14  -3.255   8.838   4.713
   97   2HG   MET  14          1HG       MET  14  -4.538   8.399   5.838
   98   1HE   MET  14          1HE       MET  14  -1.387  11.613   6.103
   99   2HE   MET  14          2HE       MET  14  -2.706  11.772   4.943
  100   3HE   MET  14          3HE       MET  14  -1.646  10.364   4.885
  101    H    GLU  15           H        GLU  15  -2.245   4.373   6.943
  102    HA   GLU  15           HA       GLU  15   0.627   4.318   6.821
  103   1HB   GLU  15          2HB       GLU  15  -1.105   3.656   8.762
  104   2HB   GLU  15          1HB       GLU  15  -0.860   2.065   8.056
  105   1HG   GLU  15          2HG       GLU  15   0.691   2.270   9.816
  106   2HG   GLU  15          1HG       GLU  15   1.607   2.438   8.319
  107    H    GLU  16           H        GLU  16  -2.026   2.291   5.597
  108    HA   GLU  16           HA       GLU  16  -0.461   0.159   4.662
  109   1HB   GLU  16          2HB       GLU  16  -2.364  -0.417   3.239
  110   2HB   GLU  16          1HB       GLU  16  -2.895   0.011   4.857
  111   1HG   GLU  16          2HG       GLU  16  -4.353   1.378   3.913
  112   2HG   GLU  16          1HG       GLU  16  -2.993   2.397   3.454
  113    H    GLU  17           H        GLU  17  -1.237   3.267   3.184
  114    HA   GLU  17           HA       GLU  17  -0.204   2.611   0.611
  115   1HB   GLU  17          2HB       GLU  17  -1.802   4.562   1.380
  116   2HB   GLU  17          1HB       GLU  17  -0.289   5.430   1.602
  117   1HG   GLU  17          2HG       GLU  17  -1.418   5.775  -0.603
  118   2HG   GLU  17          1HG       GLU  17   0.262   5.249  -0.689
  119    H    ALA  18           H        ALA  18   1.135   4.099   3.509
  120    HA   ALA  18           HA       ALA  18   3.616   4.881   2.387
  121   1HB   ALA  18          1HB       ALA  18   4.371   5.159   4.671
  122   2HB   ALA  18          2HB       ALA  18   3.009   4.209   5.266
  123   3HB   ALA  18          3HB       ALA  18   2.727   5.778   4.513
  124    H    VAL  19           H        VAL  19   2.505   1.923   3.989
  125    HA   VAL  19           HA       VAL  19   5.024   0.638   4.138
  126    HB   VAL  19           HB       VAL  19   2.267  -0.603   3.975
  127   1HG1  VAL  19          1HG1      VAL  19   4.977  -1.742   4.420
  128   2HG1  VAL  19          2HG1      VAL  19   3.592  -2.419   3.565
  129   3HG1  VAL  19          3HG1      VAL  19   3.625  -2.418   5.328
  130   1HG2  VAL  19          1HG2      VAL  19   3.431   0.960   6.001
  131   2HG2  VAL  19          2HG2      VAL  19   3.487  -0.710   6.568
  132   3HG2  VAL  19          3HG2      VAL  19   1.949   0.009   6.088
  133    H    ARG  20           H        ARG  20   2.426   0.557   1.709
  134    HA   ARG  20           HA       ARG  20   3.585  -1.346  -0.008
  135   1HB   ARG  20          2HB       ARG  20   1.213  -0.527  -0.104
  136   2HB   ARG  20          1HB       ARG  20   1.808   0.967  -0.813
  137   1HG   ARG  20          2HG       ARG  20   2.926  -0.984  -2.410
  138   2HG   ARG  20          1HG       ARG  20   1.322  -1.619  -2.042
  139   1HD   ARG  20          2HD       ARG  20   0.273  -0.020  -3.240
  140   2HD   ARG  20          1HD       ARG  20   1.409   1.236  -2.751
  141    HE   ARG  20           HE       ARG  20   2.623   0.835  -4.650
  142   1HH1  ARG  20          1HH1      ARG  20   0.414  -1.841  -4.169
  143   2HH1  ARG  20          2HH1      ARG  20   0.744  -2.549  -5.714
  144   1HH2  ARG  20          1HH2      ARG  20   3.049  -0.103  -6.684
  145   2HH2  ARG  20          2HH2      ARG  20   2.238  -1.564  -7.141
  146    H    LEU  21           H        LEU  21   3.884   2.191   0.132
  147    HA   LEU  21           HA       LEU  21   5.458   2.481  -2.200
  148   1HB   LEU  21          2HB       LEU  21   4.549   4.152  -0.014
  149   2HB   LEU  21          1HB       LEU  21   6.213   4.515  -0.425
  150    HG   LEU  21           HG       LEU  21   5.489   4.825  -2.804
  151   1HD1  LEU  21          1HD1      LEU  21   3.458   3.526  -2.790
  152   2HD1  LEU  21          2HD1      LEU  21   3.080   5.200  -3.197
  153   3HD1  LEU  21          3HD1      LEU  21   2.746   4.590  -1.576
  154   1HD2  LEU  21          1HD2      LEU  21   4.120   6.607  -0.792
  155   2HD2  LEU  21          2HD2      LEU  21   4.571   7.033  -2.443
  156   3HD2  LEU  21          3HD2      LEU  21   5.822   6.705  -1.244
  157    H    PHE  22           H        PHE  22   6.309   2.118   1.228
  158    HA   PHE  22           HA       PHE  22   9.104   2.300   0.918
  159   1HB   PHE  22          2HB       PHE  22   8.157   2.548   3.105
  160   2HB   PHE  22          1HB       PHE  22   7.382   0.970   3.018
  161    HD1  PHE  22           1HD      PHE  22   8.352  -0.747   4.166
  162    HD2  PHE  22           2HD      PHE  22  10.803   2.452   2.798
  163    HE1  PHE  22           1HE      PHE  22  10.302  -1.770   5.272
  164    HE2  PHE  22           2HE      PHE  22  12.755   1.437   3.900
  165    HZ   PHE  22           HZ       PHE  22  12.506  -0.676   5.137
  166    H    ILE  23           H        ILE  23   6.873  -0.465   0.857
  167    HA   ILE  23           HA       ILE  23   8.800  -2.508   0.644
  168    HB   ILE  23           HB       ILE  23   5.918  -2.363  -0.238
  169   1HG1  ILE  23          2HG1      ILE  23   7.123  -4.114   1.896
  170   2HG1  ILE  23          1HG1      ILE  23   6.667  -2.446   2.233
  171   1HG2  ILE  23          1HG2      ILE  23   6.015  -4.809  -0.576
  172   2HG2  ILE  23          2HG2      ILE  23   7.769  -4.738  -0.392
  173   3HG2  ILE  23          3HG2      ILE  23   6.990  -3.914  -1.742
  174   1HD1  ILE  23          1HD1      ILE  23   4.828  -4.619   1.254
  175   2HD1  ILE  23          2HD1      ILE  23   4.368  -2.948   1.587
  176   3HD1  ILE  23          3HD1      ILE  23   4.921  -3.988   2.899
  177    H    GLU  24           H        GLU  24   7.055  -0.636  -1.828
  178    HA   GLU  24           HA       GLU  24   8.142  -1.940  -4.084
  179   1HB   GLU  24          2HB       GLU  24   6.135  -0.414  -4.057
  180   2HB   GLU  24          1HB       GLU  24   7.245   0.942  -3.924
  181   1HG   GLU  24          2HG       GLU  24   7.791   0.876  -6.093
  182   2HG   GLU  24          1HG       GLU  24   7.834  -0.886  -6.133
  183    H    TRP  25           H        TRP  25   9.218   0.798  -2.147
  184    HA   TRP  25           HA       TRP  25  11.335   1.654  -3.789
  185   1HB   TRP  25          2HB       TRP  25  10.513   3.079  -2.024
  186   2HB   TRP  25          1HB       TRP  25  10.903   1.875  -0.804
  187    HD1  TRP  25           HD       TRP  25  12.762   4.157  -3.332
  188    HE1  TRP  25           1HE      TRP  25  15.027   4.798  -2.288
  189    HE3  TRP  25           3HE      TRP  25  12.509   1.367   0.941
  190    HZ2  TRP  25           2HZ      TRP  25  16.515   4.196   0.029
  191    HZ3  TRP  25           3HZ      TRP  25  14.398   1.452   2.519
  192    HH2  TRP  25           HH       TRP  25  16.360   2.838   2.069
  193    H    LEU  26           H        LEU  26  11.182  -0.731  -1.164
  194    HA   LEU  26           HA       LEU  26  13.969  -1.319  -1.162
  195   1HB   LEU  26          2HB       LEU  26  11.570  -2.839  -0.148
  196   2HB   LEU  26          1HB       LEU  26  13.214  -3.416   0.045
  197    HG   LEU  26           HG       LEU  26  12.123  -0.837   1.176
  198   1HD1  LEU  26          1HD1      LEU  26  11.180  -2.381   2.563
  199   2HD1  LEU  26          2HD1      LEU  26  12.760  -2.225   3.329
  200   3HD1  LEU  26          3HD1      LEU  26  12.430  -3.586   2.259
  201   1HD2  LEU  26          1HD2      LEU  26  14.513  -0.722   0.602
  202   2HD2  LEU  26          2HD2      LEU  26  14.803  -2.162   1.581
  203   3HD2  LEU  26          3HD2      LEU  26  14.243  -0.674   2.347
  204    H    LYS  27           H        LYS  27  11.191  -2.556  -2.918
  205    HA   LYS  27           HA       LYS  27  12.371  -4.887  -3.974
  206   1HB   LYS  27          2HB       LYS  27   9.911  -4.291  -3.951
  207   2HB   LYS  27          1HB       LYS  27  10.236  -3.220  -5.308
  208   1HG   LYS  27          2HG       LYS  27   9.529  -5.099  -6.399
  209   2HG   LYS  27          1HG       LYS  27  11.270  -5.374  -6.373
  210   1HD   LYS  27          2HD       LYS  27  10.522  -7.413  -5.638
  211   2HD   LYS  27          1HD       LYS  27  10.717  -6.575  -4.096
  212   1HE   LYS  27          2HE       LYS  27   8.612  -7.561  -3.924
  213   2HE   LYS  27          1HE       LYS  27   8.255  -5.898  -4.385
  214   1HZ   LYS  27          1HZ       LYS  27   7.814  -8.355  -5.846
  215   2HZ   LYS  27          2HZ       LYS  27   8.453  -7.097  -6.778
  216   3HZ   LYS  27          3HZ       LYS  27   6.999  -6.875  -5.942
  217    H    ASN  28           H        ASN  28  12.290  -1.533  -5.138
  218    HA   ASN  28           HA       ASN  28  13.561  -2.153  -7.625
  219   1HB   ASN  28          2HB       ASN  28  13.618   0.213  -8.026
  220   2HB   ASN  28          1HB       ASN  28  12.071  -0.177  -7.285
  221   1HD2  ASN  28          1HD2      ASN  28  11.509   1.564  -6.183
  222   2HD2  ASN  28          2HD2      ASN  28  12.503   2.399  -5.043
  223    H    GLY  29           H        GLY  29  14.762  -1.955  -4.472
  224   1HA   GLY  29          2HA       GLY  29  17.216  -2.716  -4.590
  225   2HA   GLY  29          1HA       GLY  29  17.444  -1.175  -5.400
  226    H    GLY  30           H        GLY  30  15.176  -0.273  -3.346
  227   1HA   GLY  30          2HA       GLY  30  15.141   0.818  -1.337
  228   2HA   GLY  30          1HA       GLY  30  16.324  -0.360  -0.788
  229    HA   PRO  31           HA       PRO  31  18.733   3.459  -0.453
  230   1HB   PRO  31          2HB       PRO  31  20.715   1.650   0.759
  231   2HB   PRO  31          1HB       PRO  31  19.950   3.090   1.435
  232   1HG   PRO  31          2HG       PRO  31  19.335   0.623   2.301
  233   2HG   PRO  31          1HG       PRO  31  18.125   1.917   2.215
  234   1HD   PRO  31          2HD       PRO  31  18.577  -0.380   0.345
  235   2HD   PRO  31          1HD       PRO  31  17.052   0.317   0.932
  236    H    SER  32           H        SER  32  19.936   0.307  -1.548
  237    HA   SER  32           HA       SER  32  22.274   1.313  -2.819
  238   1HB   SER  32          2HB       SER  32  21.804  -1.093  -2.061
  239   2HB   SER  32          1HB       SER  32  20.888  -1.260  -3.561
  240    HG   SER  32           HG       SER  32  23.630  -1.009  -3.161
  241    H    SER  33           H        SER  33  18.948   1.200  -3.780
  242    HA   SER  33           HA       SER  33  19.268   1.105  -6.580
  243   1HB   SER  33          2HB       SER  33  17.110   0.866  -5.163
  244   2HB   SER  33          1HB       SER  33  17.034   2.624  -5.256
  245    HG   SER  33           HG       SER  33  16.661   0.716  -7.239
  246    H    GLY  34           H        GLY  34  19.693   3.698  -4.286
  247   1HA   GLY  34          2HA       GLY  34  20.974   5.629  -4.799
  248   2HA   GLY  34          1HA       GLY  34  20.533   5.444  -6.488
  249    H    ALA  35           H        ALA  35  18.337   5.388  -3.724
  250    HA   ALA  35           HA       ALA  35  17.425   8.087  -4.179
  251   1HB   ALA  35          1HB       ALA  35  16.000   7.424  -5.808
  252   2HB   ALA  35          2HB       ALA  35  14.996   6.979  -4.428
  253   3HB   ALA  35          3HB       ALA  35  15.961   5.752  -5.249
  254    HA   PRO  36           HA       PRO  36  16.507   7.661   0.117
  255   1HB   PRO  36          2HB       PRO  36  14.599   9.589   0.417
  256   2HB   PRO  36          1HB       PRO  36  16.324   9.934   0.265
  257   1HG   PRO  36          2HG       PRO  36  14.170  10.067  -1.805
  258   2HG   PRO  36          1HG       PRO  36  15.524  11.177  -1.524
  259   1HD   PRO  36          2HD       PRO  36  15.539   9.318  -3.496
  260   2HD   PRO  36          1HD       PRO  36  17.016   9.843  -2.664
  261    HA   PRO  37           HA       PRO  37  12.957   5.078   0.554
  262   1HB   PRO  37          2HB       PRO  37  12.533   5.242   3.223
  263   2HB   PRO  37          1HB       PRO  37  13.915   4.384   2.531
  264   1HG   PRO  37          2HG       PRO  37  13.790   7.145   3.687
  265   2HG   PRO  37          1HG       PRO  37  15.012   5.885   3.934
  266   1HD   PRO  37          2HD       PRO  37  15.371   7.949   2.210
  267   2HD   PRO  37          1HD       PRO  37  16.068   6.338   1.936
  268    HA   PRO  38           HA       PRO  38   9.470   7.858   0.293
  269   1HB   PRO  38          2HB       PRO  38   7.519   5.945   0.239
  270   2HB   PRO  38          1HB       PRO  38   8.504   6.374  -1.162
  271   1HG   PRO  38          2HG       PRO  38   8.787   4.081   0.730
  272   2HG   PRO  38          1HG       PRO  38   8.976   4.110  -1.032
  273   1HD   PRO  38          2HD       PRO  38  11.085   4.115   0.657
  274   2HD   PRO  38          1HD       PRO  38  11.120   4.940  -0.912
  275    H    SER  39           H        SER  39   9.266   5.085   2.535
  276    HA   SER  39           HA       SER  39   7.733   6.772   4.394
  277   1HB   SER  39          2HB       SER  39   6.772   4.546   3.567
  278   2HB   SER  39          1HB       SER  39   8.006   3.772   4.562
  279    HG   SER  39           HG       SER  39   6.523   3.976   6.052
  Start of MODEL   35
    1   1H    HIS   1          1HT       HIS   1 -24.155   7.195  17.354
    2   2H    HIS   1          2HT       HIS   1 -23.534   5.634  17.015
    3   3H    HIS   1          3HT       HIS   1 -22.848   7.012  16.259
    4    HA   HIS   1           HA       HIS   1 -22.248   7.840  18.471
    5   1HB   HIS   1          2HB       HIS   1 -22.237   6.229  20.315
    6   2HB   HIS   1          1HB       HIS   1 -23.872   6.469  19.714
    7    HD1  HIS   1           1HD      HIS   1 -25.038   4.454  18.620
    8    HD2  HIS   1           2HD      HIS   1 -21.154   3.664  19.868
    9    HE1  HIS   1           1HE      HIS   1 -24.786   1.957  18.495
   10    HE2  HIS   1           2HE      HIS   1 -22.397   1.512  19.160
   11    H    GLY   2           H        GLY   2 -21.769   4.714  16.863
   12   1HA   GLY   2          2HA       GLY   2 -19.354   4.971  15.802
   13   2HA   GLY   2          1HA       GLY   2 -18.920   4.754  17.489
   14    H    GLU   3           H        GLU   3 -19.852   3.219  14.578
   15    HA   GLU   3           HA       GLU   3 -19.629   0.605  15.896
   16   1HB   GLU   3          2HB       GLU   3 -21.899   1.632  14.281
   17   2HB   GLU   3          1HB       GLU   3 -21.400  -0.026  13.975
   18   1HG   GLU   3          2HG       GLU   3 -21.892  -0.698  16.162
   19   2HG   GLU   3          1HG       GLU   3 -21.967   0.965  16.747
   20    H    GLY   4           H        GLY   4 -18.061  -0.548  14.992
   21   1HA   GLY   4          2HA       GLY   4 -17.118  -1.667  13.095
   22   2HA   GLY   4          1HA       GLY   4 -17.601  -0.307  12.097
   23    H    THR   5           H        THR   5 -16.255   0.825  14.974
   24    HA   THR   5           HA       THR   5 -14.412   2.155  15.264
   25    HB   THR   5           HB       THR   5 -13.686   0.064  16.198
   26    HG1  THR   5           1HG      THR   5 -11.751   0.816  16.351
   27   1HG2  THR   5          1HG2      THR   5 -12.816  -0.707  13.424
   28   2HG2  THR   5          2HG2      THR   5 -14.030  -1.499  14.426
   29   3HG2  THR   5          3HG2      THR   5 -12.332  -1.548  14.896
   30    H    PHE   6           H        PHE   6 -15.085   3.301  13.192
   31    HA   PHE   6           HA       PHE   6 -13.568   2.862  10.821
   32   1HB   PHE   6          2HB       PHE   6 -15.774   4.455  11.570
   33   2HB   PHE   6          1HB       PHE   6 -14.540   5.566  10.987
   34    HD1  PHE   6           1HD      PHE   6 -16.803   2.843  10.097
   35    HD2  PHE   6           2HD      PHE   6 -13.787   5.494   8.686
   36    HE1  PHE   6           1HE      PHE   6 -17.404   2.285   7.778
   37    HE2  PHE   6           2HE      PHE   6 -14.386   4.943   6.362
   38    HZ   PHE   6           HZ       PHE   6 -16.195   3.336   5.906
   39    H    THR   7           H        THR   7 -13.120   4.879  13.663
   40    HA   THR   7           HA       THR   7 -11.166   6.624  12.685
   41    HB   THR   7           HB       THR   7 -11.326   5.544  15.502
   42    HG1  THR   7           1HG      THR   7 -13.222   6.426  15.487
   43   1HG2  THR   7          1HG2      THR   7  -9.493   7.287  14.484
   44   2HG2  THR   7          2HG2      THR   7  -9.988   7.191  16.173
   45   3HG2  THR   7          3HG2      THR   7 -10.741   8.370  15.098
   46    H    SER   8           H        SER   8 -10.783   3.505  14.342
   47    HA   SER   8           HA       SER   8  -7.950   3.468  14.169
   48   1HB   SER   8          2HB       SER   8  -9.691   2.046  15.623
   49   2HB   SER   8          1HB       SER   8  -9.429   0.890  14.318
   50    HG   SER   8           HG       SER   8  -7.684   1.786  16.283
   51    H    ASP   9           H        ASP   9 -10.519   2.167  12.131
   52    HA   ASP   9           HA       ASP   9  -8.888   0.642  10.412
   53   1HB   ASP   9          2HB       ASP   9 -11.666   1.651  10.382
   54   2HB   ASP   9          1HB       ASP   9 -10.968   1.305   8.802
   55    H    LEU  10           H        LEU  10  -9.929   4.014  10.299
   56    HA   LEU  10           HA       LEU  10  -8.963   4.634   7.732
   57   1HB   LEU  10          2HB       LEU  10 -10.311   5.992   9.714
   58   2HB   LEU  10          1HB       LEU  10  -8.760   6.807   9.686
   59    HG   LEU  10           HG       LEU  10 -10.315   7.975   8.255
   60   1HD1  LEU  10          1HD1      LEU  10  -7.883   7.668   7.588
   61   2HD1  LEU  10          2HD1      LEU  10  -9.003   8.167   6.319
   62   3HD1  LEU  10          3HD1      LEU  10  -8.467   6.489   6.414
   63   1HD2  LEU  10          1HD2      LEU  10 -10.757   5.260   7.074
   64   2HD2  LEU  10          2HD2      LEU  10 -11.064   6.716   6.130
   65   3HD2  LEU  10          3HD2      LEU  10 -11.941   6.441   7.634
   66    H    SER  11           H        SER  11  -7.408   4.702  10.911
   67    HA   SER  11           HA       SER  11  -5.007   5.942  10.129
   68   1HB   SER  11          2HB       SER  11  -5.323   3.909  12.345
   69   2HB   SER  11          1HB       SER  11  -4.098   5.170  12.221
   70    HG   SER  11           HG       SER  11  -5.609   6.695  12.663
   71    H    LYS  12           H        LYS  12  -5.924   2.526  10.334
   72    HA   LYS  12           HA       LYS  12  -3.414   1.465   9.584
   73   1HB   LYS  12          2HB       LYS  12  -6.050   0.460  10.155
   74   2HB   LYS  12          1HB       LYS  12  -5.420  -0.322   8.711
   75   1HG   LYS  12          2HG       LYS  12  -3.377  -0.232  10.712
   76   2HG   LYS  12          1HG       LYS  12  -4.850  -0.918  11.397
   77   1HD   LYS  12          2HD       LYS  12  -4.107  -1.892   8.713
   78   2HD   LYS  12          1HD       LYS  12  -3.018  -2.348  10.024
   79   1HE   LYS  12          2HE       LYS  12  -4.917  -3.259  11.277
   80   2HE   LYS  12          1HE       LYS  12  -5.999  -2.812   9.960
   81   1HZ   LYS  12          1HZ       LYS  12  -5.373  -5.151   9.872
   82   2HZ   LYS  12          2HZ       LYS  12  -3.740  -4.731   9.747
   83   3HZ   LYS  12          3HZ       LYS  12  -4.816  -4.322   8.505
   84    H    GLN  13           H        GLN  13  -6.266   2.402   7.706
   85    HA   GLN  13           HA       GLN  13  -5.371   1.411   5.211
   86   1HB   GLN  13          2HB       GLN  13  -7.736   2.079   5.829
   87   2HB   GLN  13          1HB       GLN  13  -7.233   3.751   5.633
   88   1HG   GLN  13          2HG       GLN  13  -8.328   3.046   3.637
   89   2HG   GLN  13          1HG       GLN  13  -6.612   3.242   3.291
   90   1HE2  GLN  13          1HE2      GLN  13  -6.513   1.861   1.572
   91   2HE2  GLN  13          2HE2      GLN  13  -6.762   0.157   1.699
   92    H    MET  14           H        MET  14  -5.170   4.639   6.701
   93    HA   MET  14           HA       MET  14  -3.910   5.937   4.544
   94   1HB   MET  14          2HB       MET  14  -4.259   6.491   7.448
   95   2HB   MET  14          1HB       MET  14  -3.003   7.385   6.604
   96   1HG   MET  14          2HG       MET  14  -5.112   7.651   4.899
   97   2HG   MET  14          1HG       MET  14  -5.911   7.636   6.470
   98   1HE   MET  14          1HE       MET  14  -6.196  10.428   4.778
   99   2HE   MET  14          2HE       MET  14  -6.037  11.371   6.259
  100   3HE   MET  14          3HE       MET  14  -6.876   9.819   6.288
  101    H    GLU  15           H        GLU  15  -2.573   4.307   7.403
  102    HA   GLU  15           HA       GLU  15   0.144   4.859   6.825
  103   1HB   GLU  15          2HB       GLU  15  -1.189   2.761   8.534
  104   2HB   GLU  15          1HB       GLU  15   0.559   2.899   8.401
  105   1HG   GLU  15          2HG       GLU  15   0.536   5.077   9.363
  106   2HG   GLU  15          1HG       GLU  15  -1.224   5.152   9.290
  107    H    GLU  16           H        GLU  16  -2.031   2.252   5.885
  108    HA   GLU  16           HA       GLU  16  -0.188   0.399   4.923
  109   1HB   GLU  16          2HB       GLU  16  -3.052   0.968   4.486
  110   2HB   GLU  16          1HB       GLU  16  -2.264   0.066   3.200
  111   1HG   GLU  16          2HG       GLU  16  -1.946  -0.782   6.046
  112   2HG   GLU  16          1HG       GLU  16  -3.402  -1.200   5.143
  113    H    GLU  17           H        GLU  17  -1.560   3.258   3.351
  114    HA   GLU  17           HA       GLU  17  -0.618   2.790   0.755
  115   1HB   GLU  17          2HB       GLU  17  -2.144   4.715   1.896
  116   2HB   GLU  17          1HB       GLU  17  -0.643   5.599   1.672
  117   1HG   GLU  17          2HG       GLU  17  -2.108   4.124  -0.504
  118   2HG   GLU  17          1HG       GLU  17  -2.230   5.855  -0.198
  119    H    ALA  18           H        ALA  18   0.889   4.494   3.473
  120    HA   ALA  18           HA       ALA  18   3.218   5.314   2.110
  121   1HB   ALA  18          1HB       ALA  18   3.130   4.724   5.052
  122   2HB   ALA  18          2HB       ALA  18   2.336   6.135   4.356
  123   3HB   ALA  18          3HB       ALA  18   4.081   5.939   4.197
  124    H    VAL  19           H        VAL  19   2.433   2.370   3.909
  125    HA   VAL  19           HA       VAL  19   5.011   1.233   3.960
  126    HB   VAL  19           HB       VAL  19   2.368  -0.239   3.843
  127   1HG1  VAL  19          1HG1      VAL  19   4.380  -1.518   5.426
  128   2HG1  VAL  19          2HG1      VAL  19   5.017  -1.201   3.812
  129   3HG1  VAL  19          3HG1      VAL  19   3.528  -2.125   4.007
  130   1HG2  VAL  19          1HG2      VAL  19   3.073   1.567   5.754
  131   2HG2  VAL  19          2HG2      VAL  19   3.709   0.071   6.436
  132   3HG2  VAL  19          3HG2      VAL  19   2.001   0.192   6.018
  133    H    ARG  20           H        ARG  20   2.408   1.109   1.564
  134    HA   ARG  20           HA       ARG  20   3.468  -0.826  -0.153
  135   1HB   ARG  20          2HB       ARG  20   1.552   1.442  -0.459
  136   2HB   ARG  20          1HB       ARG  20   2.164   0.677  -1.917
  137   1HG   ARG  20          2HG       ARG  20   1.169  -1.149   0.171
  138   2HG   ARG  20          1HG       ARG  20  -0.038  -0.131  -0.614
  139   1HD   ARG  20          2HD       ARG  20   0.194  -1.167  -2.617
  140   2HD   ARG  20          1HD       ARG  20   1.916  -1.460  -2.387
  141    HE   ARG  20           HE       ARG  20   1.419  -3.504  -1.483
  142   1HH1  ARG  20          1HH1      ARG  20  -1.520  -1.599  -1.593
  143   2HH1  ARG  20          2HH1      ARG  20  -2.543  -2.933  -1.184
  144   1HH2  ARG  20          1HH2      ARG  20   0.062  -5.256  -0.952
  145   2HH2  ARG  20          2HH2      ARG  20  -1.647  -5.009  -0.822
  146    H    LEU  21           H        LEU  21   3.971   2.697  -0.082
  147    HA   LEU  21           HA       LEU  21   5.597   2.845  -2.384
  148   1HB   LEU  21          2HB       LEU  21   5.119   4.597  -0.015
  149   2HB   LEU  21          1HB       LEU  21   6.499   4.941  -1.037
  150    HG   LEU  21           HG       LEU  21   4.564   4.737  -2.917
  151   1HD1  LEU  21          1HD1      LEU  21   2.720   4.407  -1.481
  152   2HD1  LEU  21          2HD1      LEU  21   2.641   6.092  -1.995
  153   3HD1  LEU  21          3HD1      LEU  21   3.244   5.689  -0.388
  154   1HD2  LEU  21          1HD2      LEU  21   4.429   7.271  -2.705
  155   2HD2  LEU  21          2HD2      LEU  21   6.033   6.568  -2.911
  156   3HD2  LEU  21          3HD2      LEU  21   5.502   7.100  -1.315
  157    H    PHE  22           H        PHE  22   6.392   2.515   1.063
  158    HA   PHE  22           HA       PHE  22   9.189   2.517   0.803
  159   1HB   PHE  22          2HB       PHE  22   8.235   2.811   2.977
  160   2HB   PHE  22          1HB       PHE  22   7.347   1.297   2.865
  161    HD1  PHE  22           1HD      PHE  22   8.167  -0.503   4.007
  162    HD2  PHE  22           2HD      PHE  22  10.872   2.526   2.737
  163    HE1  PHE  22           1HE      PHE  22  10.008  -1.673   5.147
  164    HE2  PHE  22           2HE      PHE  22  12.717   1.363   3.873
  165    HZ   PHE  22           HZ       PHE  22  12.288  -0.740   5.080
  166    H    ILE  23           H        ILE  23   6.803  -0.098   0.661
  167    HA   ILE  23           HA       ILE  23   8.581  -2.270   0.515
  168    HB   ILE  23           HB       ILE  23   5.771  -1.912  -0.525
  169   1HG1  ILE  23          2HG1      ILE  23   6.659  -3.750   1.679
  170   2HG1  ILE  23          1HG1      ILE  23   6.418  -2.036   1.998
  171   1HG2  ILE  23          1HG2      ILE  23   6.169  -4.629  -0.365
  172   2HG2  ILE  23          2HG2      ILE  23   7.667  -4.050  -1.093
  173   3HG2  ILE  23          3HG2      ILE  23   6.116  -3.673  -1.848
  174   1HD1  ILE  23          1HD1      ILE  23   4.204  -3.308   0.577
  175   2HD1  ILE  23          2HD1      ILE  23   4.194  -2.231   1.973
  176   3HD1  ILE  23          3HD1      ILE  23   4.504  -3.954   2.188
  177    H    GLU  24           H        GLU  24   7.026  -0.353  -2.062
  178    HA   GLU  24           HA       GLU  24   8.144  -1.709  -4.252
  179   1HB   GLU  24          2HB       GLU  24   6.251  -0.028  -4.285
  180   2HB   GLU  24          1HB       GLU  24   7.470   1.234  -4.168
  181   1HG   GLU  24          2HG       GLU  24   8.452   0.496  -6.269
  182   2HG   GLU  24          1HG       GLU  24   7.257  -0.796  -6.383
  183    H    TRP  25           H        TRP  25   9.335   0.973  -2.296
  184    HA   TRP  25           HA       TRP  25  11.565   1.667  -3.868
  185   1HB   TRP  25          2HB       TRP  25  10.779   3.170  -2.161
  186   2HB   TRP  25          1HB       TRP  25  11.026   1.960  -0.908
  187    HD1  TRP  25           HD       TRP  25  13.158   4.053  -3.384
  188    HE1  TRP  25           1HE      TRP  25  15.414   4.551  -2.250
  189    HE3  TRP  25           3HE      TRP  25  12.511   1.381   0.924
  190    HZ2  TRP  25           2HZ      TRP  25  16.749   3.894   0.149
  191    HZ3  TRP  25           3HZ      TRP  25  14.326   1.365   2.587
  192    HH2  TRP  25           HH       TRP  25  16.399   2.596   2.207
  193    H    LEU  26           H        LEU  26  11.137  -0.718  -1.284
  194    HA   LEU  26           HA       LEU  26  13.890  -1.438  -1.126
  195   1HB   LEU  26          2HB       LEU  26  11.360  -2.805  -0.230
  196   2HB   LEU  26          1HB       LEU  26  12.950  -3.506   0.019
  197    HG   LEU  26           HG       LEU  26  11.967  -0.883   1.149
  198   1HD1  LEU  26          1HD1      LEU  26  10.965  -2.452   2.484
  199   2HD1  LEU  26          2HD1      LEU  26  12.518  -2.279   3.298
  200   3HD1  LEU  26          3HD1      LEU  26  12.234  -3.648   2.225
  201   1HD2  LEU  26          1HD2      LEU  26  14.363  -0.832   0.586
  202   2HD2  LEU  26          2HD2      LEU  26  14.609  -2.285   1.558
  203   3HD2  LEU  26          3HD2      LEU  26  14.083  -0.787   2.329
  204    H    LYS  27           H        LYS  27  11.164  -2.532  -3.052
  205    HA   LYS  27           HA       LYS  27  12.311  -4.919  -4.032
  206   1HB   LYS  27          2HB       LYS  27   9.955  -3.285  -4.592
  207   2HB   LYS  27          1HB       LYS  27  10.605  -4.052  -6.032
  208   1HG   LYS  27          2HG       LYS  27   9.437  -5.847  -5.448
  209   2HG   LYS  27          1HG       LYS  27  10.620  -6.081  -4.160
  210   1HD   LYS  27          2HD       LYS  27   8.988  -5.814  -2.673
  211   2HD   LYS  27          1HD       LYS  27   8.805  -4.149  -3.221
  212   1HE   LYS  27          2HE       LYS  27   7.491  -6.393  -4.706
  213   2HE   LYS  27          1HE       LYS  27   6.751  -5.729  -3.249
  214   1HZ   LYS  27          1HZ       LYS  27   7.443  -4.208  -5.705
  215   2HZ   LYS  27          2HZ       LYS  27   6.791  -3.534  -4.297
  216   3HZ   LYS  27          3HZ       LYS  27   5.886  -4.640  -5.202
  217    H    ASN  28           H        ASN  28  12.442  -1.564  -5.179
  218    HA   ASN  28           HA       ASN  28  13.774  -2.229  -7.624
  219   1HB   ASN  28          2HB       ASN  28  13.993   0.144  -7.981
  220   2HB   ASN  28          1HB       ASN  28  12.387  -0.180  -7.337
  221   1HD2  ASN  28          1HD2      ASN  28  11.899   1.652  -6.318
  222   2HD2  ASN  28          2HD2      ASN  28  12.842   2.375  -5.066
  223    H    GLY  29           H        GLY  29  14.857  -2.070  -4.414
  224   1HA   GLY  29          2HA       GLY  29  17.286  -2.973  -4.481
  225   2HA   GLY  29          1HA       GLY  29  17.606  -1.413  -5.218
  226    H    GLY  30           H        GLY  30  15.366  -0.359  -3.300
  227   1HA   GLY  30          2HA       GLY  30  15.257   0.601  -1.226
  228   2HA   GLY  30          1HA       GLY  30  16.366  -0.643  -0.673
  229    HA   PRO  31           HA       PRO  31  18.891   3.058  -0.027
  230   1HB   PRO  31          2HB       PRO  31  20.749   1.075   1.127
  231   2HB   PRO  31          1HB       PRO  31  20.056   2.525   1.857
  232   1HG   PRO  31          2HG       PRO  31  19.254   0.075   2.588
  233   2HG   PRO  31          1HG       PRO  31  18.122   1.439   2.506
  234   1HD   PRO  31          2HD       PRO  31  18.531  -0.806   0.563
  235   2HD   PRO  31          1HD       PRO  31  17.020  -0.049   1.112
  236    H    SER  32           H        SER  32  19.867   0.001  -1.490
  237    HA   SER  32           HA       SER  32  22.215   1.250  -2.698
  238   1HB   SER  32          2HB       SER  32  21.979  -1.191  -1.642
  239   2HB   SER  32          1HB       SER  32  21.493  -1.577  -3.292
  240    HG   SER  32           HG       SER  32  23.918  -1.388  -2.437
  241    H    SER  33           H        SER  33  19.425   1.945  -3.535
  242    HA   SER  33           HA       SER  33  19.459   0.972  -6.307
  243   1HB   SER  33          2HB       SER  33  17.347   0.756  -4.923
  244   2HB   SER  33          1HB       SER  33  17.232   2.515  -4.969
  245    HG   SER  33           HG       SER  33  16.591   0.700  -6.874
  246    H    GLY  34           H        GLY  34  19.670   3.876  -4.340
  247   1HA   GLY  34          2HA       GLY  34  21.159   5.576  -5.471
  248   2HA   GLY  34          1HA       GLY  34  20.018   5.475  -6.799
  249    H    ALA  35           H        ALA  35  17.615   5.462  -5.471
  250    HA   ALA  35           HA       ALA  35  17.481   8.227  -4.573
  251   1HB   ALA  35          1HB       ALA  35  15.681   6.377  -5.894
  252   2HB   ALA  35          2HB       ALA  35  15.659   8.140  -5.853
  253   3HB   ALA  35          3HB       ALA  35  14.899   7.219  -4.556
  254    HA   PRO  36           HA       PRO  36  16.962   7.331  -0.279
  255   1HB   PRO  36          2HB       PRO  36  15.352   9.356   0.509
  256   2HB   PRO  36          1HB       PRO  36  17.041   9.607   0.051
  257   1HG   PRO  36          2HG       PRO  36  14.557  10.051  -1.560
  258   2HG   PRO  36          1HG       PRO  36  15.995  11.079  -1.415
  259   1HD   PRO  36          2HD       PRO  36  15.574   9.421  -3.522
  260   2HD   PRO  36          1HD       PRO  36  17.196   9.825  -2.926
  261    HA   PRO  37           HA       PRO  37  13.257   5.055   0.487
  262   1HB   PRO  37          2HB       PRO  37  12.854   5.441   3.154
  263   2HB   PRO  37          1HB       PRO  37  14.123   4.396   2.506
  264   1HG   PRO  37          2HG       PRO  37  14.313   7.213   3.501
  265   2HG   PRO  37          1HG       PRO  37  15.411   5.849   3.784
  266   1HD   PRO  37          2HD       PRO  37  15.937   7.776   1.963
  267   2HD   PRO  37          1HD       PRO  37  16.440   6.089   1.731
  268    HA   PRO  38           HA       PRO  38   9.935   8.016   0.109
  269   1HB   PRO  38          2HB       PRO  38   7.886   6.241  -0.012
  270   2HB   PRO  38          1HB       PRO  38   8.987   6.526  -1.365
  271   1HG   PRO  38          2HG       PRO  38   8.993   4.323   0.657
  272   2HG   PRO  38          1HG       PRO  38   9.252   4.233  -1.095
  273   1HD   PRO  38          2HD       PRO  38  11.290   4.191   0.690
  274   2HD   PRO  38          1HD       PRO  38  11.449   4.897  -0.930
  275    H    SER  39           H        SER  39   8.654   9.098   1.511
  276    HA   SER  39           HA       SER  39   8.331   7.971   4.197
  277   1HB   SER  39          2HB       SER  39   9.397  10.227   3.899
  278   2HB   SER  39          1HB       SER  39   7.846  10.822   3.307
  279    HG   SER  39           HG       SER  39   7.946  11.245   5.487
  Start of MODEL   36
    1   1H    HIS   1          1HT       HIS   1 -21.376   6.347  -3.708
    2   2H    HIS   1          2HT       HIS   1 -20.387   7.729  -3.453
    3   3H    HIS   1          3HT       HIS   1 -20.836   6.736  -2.129
    4    HA   HIS   1           HA       HIS   1 -19.608   4.920  -3.033
    5   1HB   HIS   1          2HB       HIS   1 -19.970   5.980  -5.417
    6   2HB   HIS   1          1HB       HIS   1 -18.439   6.780  -5.078
    7    HD1  HIS   1           1HD      HIS   1 -16.707   5.556  -6.343
    8    HD2  HIS   1           2HD      HIS   1 -19.420   2.970  -4.549
    9    HE1  HIS   1           1HE      HIS   1 -15.858   3.243  -6.840
   10    HE2  HIS   1           2HE      HIS   1 -17.571   1.694  -5.830
   11    H    GLY   2           H        GLY   2 -18.886   5.511  -0.905
   12   1HA   GLY   2          2HA       GLY   2 -16.844   5.724   0.286
   13   2HA   GLY   2          1HA       GLY   2 -16.247   6.789  -0.976
   14    H    GLU   3           H        GLU   3 -15.820   7.573   1.535
   15    HA   GLU   3           HA       GLU   3 -17.507   9.939   1.758
   16   1HB   GLU   3          2HB       GLU   3 -17.656   7.694   3.573
   17   2HB   GLU   3          1HB       GLU   3 -17.116   9.135   4.424
   18   1HG   GLU   3          2HG       GLU   3 -19.250   9.951   2.801
   19   2HG   GLU   3          1HG       GLU   3 -19.742   8.424   3.530
   20    H    GLY   4           H        GLY   4 -16.564  11.232   3.842
   21   1HA   GLY   4          2HA       GLY   4 -13.619  11.168   3.596
   22   2HA   GLY   4          1HA       GLY   4 -14.522  12.673   3.537
   23    H    THR   5           H        THR   5 -15.346  10.040   5.712
   24    HA   THR   5           HA       THR   5 -13.991  11.264   7.957
   25    HB   THR   5           HB       THR   5 -17.008  11.018   7.986
   26    HG1  THR   5           1HG      THR   5 -16.837  12.830   6.914
   27   1HG2  THR   5          1HG2      THR   5 -16.632  12.592   9.998
   28   2HG2  THR   5          2HG2      THR   5 -15.004  11.912  10.006
   29   3HG2  THR   5          3HG2      THR   5 -16.401  10.855  10.201
   30    H    PHE   6           H        PHE   6 -12.911   9.325   8.170
   31    HA   PHE   6           HA       PHE   6 -14.549   7.009   8.973
   32   1HB   PHE   6          2HB       PHE   6 -11.788   7.007   7.743
   33   2HB   PHE   6          1HB       PHE   6 -12.686   5.578   8.241
   34    HD1  PHE   6           1HD      PHE   6 -14.677   4.869   6.989
   35    HD2  PHE   6           2HD      PHE   6 -12.270   8.135   5.705
   36    HE1  PHE   6           1HE      PHE   6 -15.703   4.743   4.756
   37    HE2  PHE   6           2HE      PHE   6 -13.289   8.014   3.473
   38    HZ   PHE   6           HZ       PHE   6 -15.011   6.318   2.994
   39    H    THR   7           H        THR   7 -11.417   8.579   9.511
   40    HA   THR   7           HA       THR   7 -10.213   8.984  11.386
   41    HB   THR   7           HB       THR   7 -12.582   7.759  12.789
   42    HG1  THR   7           1HG      THR   7 -13.263   9.689  12.272
   43   1HG2  THR   7          1HG2      THR   7 -11.417   9.212  14.713
   44   2HG2  THR   7          2HG2      THR   7  -9.985   8.616  13.874
   45   3HG2  THR   7          3HG2      THR   7 -11.169   7.477  14.515
   46    H    SER   8           H        SER   8 -11.799   5.814  11.677
   47    HA   SER   8           HA       SER   8  -9.353   4.607  12.635
   48   1HB   SER   8          2HB       SER   8 -10.714   2.523  12.741
   49   2HB   SER   8          1HB       SER   8 -11.429   3.862  13.637
   50    HG   SER   8           HG       SER   8 -13.125   3.336  12.488
   51    H    ASP   9           H        ASP   9 -11.397   4.417   9.751
   52    HA   ASP   9           HA       ASP   9  -9.709   2.506   8.436
   53   1HB   ASP   9          2HB       ASP   9 -11.787   4.273   7.138
   54   2HB   ASP   9          1HB       ASP   9 -11.165   2.736   6.547
   55    H    LEU  10           H        LEU  10 -10.095   6.006   8.353
   56    HA   LEU  10           HA       LEU  10  -8.466   6.517   6.112
   57   1HB   LEU  10          2HB       LEU  10 -10.039   8.039   7.728
   58   2HB   LEU  10          1HB       LEU  10  -8.445   8.535   8.262
   59    HG   LEU  10           HG       LEU  10  -9.377  10.010   6.516
   60   1HD1  LEU  10          1HD1      LEU  10  -6.996   8.496   5.471
   61   2HD1  LEU  10          2HD1      LEU  10  -6.917   9.628   6.820
   62   3HD1  LEU  10          3HD1      LEU  10  -7.398  10.196   5.223
   63   1HD2  LEU  10          1HD2      LEU  10 -10.499   7.960   5.360
   64   2HD2  LEU  10          2HD2      LEU  10  -8.965   7.847   4.497
   65   3HD2  LEU  10          3HD2      LEU  10  -9.932   9.318   4.389
   66    H    SER  11           H        SER  11  -7.720   6.348   9.583
   67    HA   SER  11           HA       SER  11  -5.025   7.108   9.427
   68   1HB   SER  11          2HB       SER  11  -6.416   6.882  11.530
   69   2HB   SER  11          1HB       SER  11  -6.166   5.140  11.417
   70    HG   SER  11           HG       SER  11  -4.630   6.232  12.774
   71    H    LYS  12           H        LYS  12  -6.577   3.956   9.081
   72    HA   LYS  12           HA       LYS  12  -4.191   2.428   8.963
   73   1HB   LYS  12          2HB       LYS  12  -7.039   1.961   8.667
   74   2HB   LYS  12          1HB       LYS  12  -6.120   1.054   7.472
   75   1HG   LYS  12          2HG       LYS  12  -4.741   0.118   9.295
   76   2HG   LYS  12          1HG       LYS  12  -5.768   0.960  10.461
   77   1HD   LYS  12          2HD       LYS  12  -7.324  -0.631  10.345
   78   2HD   LYS  12          1HD       LYS  12  -7.353  -0.560   8.582
   79   1HE   LYS  12          2HE       LYS  12  -6.738  -2.782   9.261
   80   2HE   LYS  12          1HE       LYS  12  -5.338  -1.998   8.534
   81   1HZ   LYS  12          1HZ       LYS  12  -4.982  -3.288  10.678
   82   2HZ   LYS  12          2HZ       LYS  12  -5.757  -2.006  11.462
   83   3HZ   LYS  12          3HZ       LYS  12  -4.326  -1.730  10.603
   84    H    GLN  13           H        GLN  13  -6.242   3.900   6.467
   85    HA   GLN  13           HA       GLN  13  -4.893   2.844   4.232
   86   1HB   GLN  13          2HB       GLN  13  -6.853   4.990   4.730
   87   2HB   GLN  13          1HB       GLN  13  -5.853   5.220   3.301
   88   1HG   GLN  13          2HG       GLN  13  -7.446   2.732   3.876
   89   2HG   GLN  13          1HG       GLN  13  -8.003   4.066   2.868
   90   1HE2  GLN  13          1HE2      GLN  13  -5.985   1.286   3.073
   91   2HE2  GLN  13          2HE2      GLN  13  -5.432   1.296   1.437
   92    H    MET  14           H        MET  14  -4.383   5.815   6.097
   93    HA   MET  14           HA       MET  14  -2.496   7.040   4.440
   94   1HB   MET  14          2HB       MET  14  -2.947   7.149   7.416
   95   2HB   MET  14          1HB       MET  14  -1.675   8.085   6.640
   96   1HG   MET  14          2HG       MET  14  -3.657   8.875   5.102
   97   2HG   MET  14          1HG       MET  14  -4.625   8.399   6.496
   98   1HE   MET  14          1HE       MET  14  -3.304  11.422   4.886
   99   2HE   MET  14          2HE       MET  14  -1.763  10.604   5.150
  100   3HE   MET  14          3HE       MET  14  -2.111  12.119   5.982
  101    H    GLU  15           H        GLU  15  -2.029   4.741   7.111
  102    HA   GLU  15           HA       GLU  15   0.817   4.679   6.851
  103   1HB   GLU  15          2HB       GLU  15  -1.082   2.791   8.255
  104   2HB   GLU  15          1HB       GLU  15   0.671   2.733   8.392
  105   1HG   GLU  15          2HG       GLU  15   0.744   4.826   9.499
  106   2HG   GLU  15          1HG       GLU  15  -0.949   5.154   9.128
  107    H    GLU  16           H        GLU  16  -1.842   2.729   5.602
  108    HA   GLU  16           HA       GLU  16  -0.408   0.530   4.649
  109   1HB   GLU  16          2HB       GLU  16  -3.005   1.813   3.932
  110   2HB   GLU  16          1HB       GLU  16  -2.347   0.604   2.839
  111   1HG   GLU  16          2HG       GLU  16  -2.374  -1.060   4.540
  112   2HG   GLU  16          1HG       GLU  16  -2.781   0.130   5.775
  113    H    GLU  17           H        GLU  17  -1.078   3.662   3.119
  114    HA   GLU  17           HA       GLU  17  -0.032   3.099   0.584
  115   1HB   GLU  17          2HB       GLU  17  -0.408   5.633   2.147
  116   2HB   GLU  17          1HB       GLU  17   0.418   5.668   0.597
  117   1HG   GLU  17          2HG       GLU  17  -2.352   4.578   1.029
  118   2HG   GLU  17          1HG       GLU  17  -1.989   6.206   0.459
  119    H    ALA  18           H        ALA  18   1.535   4.231   3.536
  120    HA   ALA  18           HA       ALA  18   4.080   4.739   2.416
  121   1HB   ALA  18          1HB       ALA  18   3.395   5.633   4.587
  122   2HB   ALA  18          2HB       ALA  18   4.896   4.717   4.716
  123   3HB   ALA  18          3HB       ALA  18   3.378   4.002   5.257
  124    H    VAL  19           H        VAL  19   2.601   1.831   3.782
  125    HA   VAL  19           HA       VAL  19   4.935   0.243   3.883
  126    HB   VAL  19           HB       VAL  19   2.115  -0.753   3.421
  127   1HG1  VAL  19          1HG1      VAL  19   3.429  -2.555   5.027
  128   2HG1  VAL  19          2HG1      VAL  19   4.685  -2.045   3.897
  129   3HG1  VAL  19          3HG1      VAL  19   3.172  -2.716   3.289
  130   1HG2  VAL  19          1HG2      VAL  19   3.332   0.495   5.762
  131   2HG2  VAL  19          2HG2      VAL  19   2.644  -1.094   6.096
  132   3HG2  VAL  19          3HG2      VAL  19   1.636   0.173   5.400
  133    H    ARG  20           H        ARG  20   2.421   0.590   1.381
  134    HA   ARG  20           HA       ARG  20   3.496  -1.253  -0.449
  135   1HB   ARG  20          2HB       ARG  20   1.375   0.689  -0.410
  136   2HB   ARG  20          1HB       ARG  20   2.258   0.826  -1.924
  137   1HG   ARG  20          2HG       ARG  20   1.069  -0.877  -2.687
  138   2HG   ARG  20          1HG       ARG  20   1.904  -1.915  -1.530
  139   1HD   ARG  20          2HD       ARG  20  -0.646  -0.389  -1.012
  140   2HD   ARG  20          1HD       ARG  20  -0.533  -2.116  -1.346
  141    HE   ARG  20           HE       ARG  20  -0.006  -0.793   1.144
  142   1HH1  ARG  20          1HH1      ARG  20   0.728  -3.631  -0.775
  143   2HH1  ARG  20          2HH1      ARG  20   1.159  -4.596   0.596
  144   1HH2  ARG  20          1HH2      ARG  20   0.563  -2.072   2.944
  145   2HH2  ARG  20          2HH2      ARG  20   1.067  -3.712   2.705
  146    H    LEU  21           H        LEU  21   4.029   2.245  -0.063
  147    HA   LEU  21           HA       LEU  21   5.726   2.564  -2.304
  148   1HB   LEU  21          2HB       LEU  21   4.820   4.166  -0.080
  149   2HB   LEU  21          1HB       LEU  21   6.534   4.412  -0.345
  150    HG   LEU  21           HG       LEU  21   4.544   4.637  -2.588
  151   1HD1  LEU  21          1HD1      LEU  21   4.478   7.030  -2.213
  152   2HD1  LEU  21          2HD1      LEU  21   5.508   6.857  -0.791
  153   3HD1  LEU  21          3HD1      LEU  21   3.880   6.176  -0.790
  154   1HD2  LEU  21          1HD2      LEU  21   7.131   6.111  -2.339
  155   2HD2  LEU  21          2HD2      LEU  21   6.246   5.629  -3.786
  156   3HD2  LEU  21          3HD2      LEU  21   7.130   4.423  -2.850
  157    H    PHE  22           H        PHE  22   6.375   1.904   1.122
  158    HA   PHE  22           HA       PHE  22   9.184   1.932   0.972
  159   1HB   PHE  22          2HB       PHE  22   8.102   2.053   3.116
  160   2HB   PHE  22          1HB       PHE  22   7.287   0.515   2.853
  161    HD1  PHE  22           1HD      PHE  22   8.161  -1.364   3.827
  162    HD2  PHE  22           2HD      PHE  22  10.734   1.931   3.026
  163    HE1  PHE  22           1HE      PHE  22  10.014  -2.538   4.949
  164    HE2  PHE  22           2HE      PHE  22  12.588   0.763   4.145
  165    HZ   PHE  22           HZ       PHE  22  12.231  -1.474   5.106
  166    H    ILE  23           H        ILE  23   6.809  -0.659   0.531
  167    HA   ILE  23           HA       ILE  23   8.599  -2.810   0.257
  168    HB   ILE  23           HB       ILE  23   5.806  -2.351  -0.785
  169   1HG1  ILE  23          2HG1      ILE  23   6.671  -4.449   1.179
  170   2HG1  ILE  23          1HG1      ILE  23   6.446  -2.785   1.708
  171   1HG2  ILE  23          1HG2      ILE  23   6.830  -3.818  -2.390
  172   2HG2  ILE  23          2HG2      ILE  23   5.743  -4.757  -1.368
  173   3HG2  ILE  23          3HG2      ILE  23   7.485  -4.834  -1.105
  174   1HD1  ILE  23          1HD1      ILE  23   4.227  -3.877   0.138
  175   2HD1  ILE  23          2HD1      ILE  23   4.217  -2.937   1.631
  176   3HD1  ILE  23          3HD1      ILE  23   4.513  -4.675   1.684
  177    H    GLU  24           H        GLU  24   7.153  -0.643  -2.170
  178    HA   GLU  24           HA       GLU  24   8.366  -1.835  -4.424
  179   1HB   GLU  24          2HB       GLU  24   6.418  -0.178  -4.373
  180   2HB   GLU  24          1HB       GLU  24   7.631   1.083  -4.198
  181   1HG   GLU  24          2HG       GLU  24   6.829   0.739  -6.522
  182   2HG   GLU  24          1HG       GLU  24   8.573   0.582  -6.326
  183    H    TRP  25           H        TRP  25   9.397   0.696  -2.201
  184    HA   TRP  25           HA       TRP  25  11.656   1.616  -3.589
  185   1HB   TRP  25          2HB       TRP  25  10.735   2.831  -1.691
  186   2HB   TRP  25          1HB       TRP  25  11.102   1.490  -0.613
  187    HD1  TRP  25           HD       TRP  25  13.103   3.896  -2.924
  188    HE1  TRP  25           1HE      TRP  25  15.305   4.474  -1.730
  189    HE3  TRP  25           3HE      TRP  25  12.550   0.999   1.250
  190    HZ2  TRP  25           2HZ      TRP  25  16.635   3.795   0.661
  191    HZ3  TRP  25           3HZ      TRP  25  14.337   1.022   2.943
  192    HH2  TRP  25           HH       TRP  25  16.336   2.391   2.652
  193    H    LEU  26           H        LEU  26  11.264  -1.000  -1.210
  194    HA   LEU  26           HA       LEU  26  14.013  -1.726  -1.139
  195   1HB   LEU  26          2HB       LEU  26  11.511  -3.234  -0.394
  196   2HB   LEU  26          1HB       LEU  26  13.125  -3.870  -0.147
  197    HG   LEU  26           HG       LEU  26  11.956  -1.405   1.147
  198   1HD1  LEU  26          1HD1      LEU  26  11.124  -2.934   2.544
  199   2HD1  LEU  26          2HD1      LEU  26  12.781  -3.114   3.116
  200   3HD1  LEU  26          3HD1      LEU  26  12.143  -4.220   1.899
  201   1HD2  LEU  26          1HD2      LEU  26  14.347  -1.125   0.645
  202   2HD2  LEU  26          2HD2      LEU  26  14.691  -2.631   1.498
  203   3HD2  LEU  26          3HD2      LEU  26  14.042  -1.247   2.379
  204    H    LYS  27           H        LYS  27  11.240  -2.827  -3.033
  205    HA   LYS  27           HA       LYS  27  12.428  -5.046  -4.270
  206   1HB   LYS  27          2HB       LYS  27  10.159  -3.223  -4.981
  207   2HB   LYS  27          1HB       LYS  27  10.722  -4.404  -6.158
  208   1HG   LYS  27          2HG       LYS  27  10.424  -6.125  -4.282
  209   2HG   LYS  27          1HG       LYS  27   9.478  -4.873  -3.475
  210   1HD   LYS  27          2HD       LYS  27   7.985  -4.744  -5.394
  211   2HD   LYS  27          1HD       LYS  27   8.950  -5.951  -6.245
  212   1HE   LYS  27          2HE       LYS  27   7.681  -7.531  -5.335
  213   2HE   LYS  27          1HE       LYS  27   8.330  -7.084  -3.758
  214   1HZ   LYS  27          1HZ       LYS  27   6.305  -5.262  -4.467
  215   2HZ   LYS  27          2HZ       LYS  27   6.341  -6.350  -3.173
  216   3HZ   LYS  27          3HZ       LYS  27   5.708  -6.834  -4.665
  217    H    ASN  28           H        ASN  28  12.504  -1.611  -5.060
  218    HA   ASN  28           HA       ASN  28  13.770  -1.896  -7.593
  219   1HB   ASN  28          2HB       ASN  28  12.502   0.142  -6.357
  220   2HB   ASN  28          1HB       ASN  28  14.168   0.602  -6.047
  221   1HD2  ASN  28          1HD2      ASN  28  11.643   0.730  -8.228
  222   2HD2  ASN  28          2HD2      ASN  28  12.523   1.262  -9.617
  223    H    GLY  29           H        GLY  29  14.903  -1.739  -4.296
  224   1HA   GLY  29          2HA       GLY  29  17.304  -2.878  -4.491
  225   2HA   GLY  29          1HA       GLY  29  17.666  -1.264  -5.082
  226    H    GLY  30           H        GLY  30  15.500  -0.253  -3.116
  227   1HA   GLY  30          2HA       GLY  30  15.332   0.322  -0.882
  228   2HA   GLY  30          1HA       GLY  30  16.655  -0.779  -0.527
  229    HA   PRO  31           HA       PRO  31  18.619   3.224   0.328
  230   1HB   PRO  31          2HB       PRO  31  20.848   1.410   1.057
  231   2HB   PRO  31          1HB       PRO  31  20.101   2.708   1.992
  232   1HG   PRO  31          2HG       PRO  31  19.650   0.149   2.597
  233   2HG   PRO  31          1HG       PRO  31  18.364   1.363   2.725
  234   1HD   PRO  31          2HD       PRO  31  18.828  -0.691   0.598
  235   2HD   PRO  31          1HD       PRO  31  17.303  -0.146   1.327
  236    H    SER  32           H        SER  32  19.980   0.499  -1.476
  237    HA   SER  32           HA       SER  32  21.780   2.334  -2.894
  238   1HB   SER  32          2HB       SER  32  22.195  -0.218  -1.856
  239   2HB   SER  32          1HB       SER  32  22.068  -0.476  -3.595
  240    HG   SER  32           HG       SER  32  24.084   0.615  -2.175
  241    H    SER  33           H        SER  33  18.933   2.327  -3.459
  242    HA   SER  33           HA       SER  33  18.787   1.057  -6.096
  243   1HB   SER  33          2HB       SER  33  16.892   0.765  -4.481
  244   2HB   SER  33          1HB       SER  33  16.581   2.496  -4.599
  245    HG   SER  33           HG       SER  33  15.663   2.187  -6.466
  246    H    GLY  34           H        GLY  34  18.653   4.230  -4.540
  247   1HA   GLY  34          2HA       GLY  34  19.870   5.820  -6.251
  248   2HA   GLY  34          1HA       GLY  34  18.380   5.549  -7.138
  249    H    ALA  35           H        ALA  35  16.441   5.670  -5.338
  250    HA   ALA  35           HA       ALA  35  16.593   8.436  -4.379
  251   1HB   ALA  35          1HB       ALA  35  14.758   8.086  -5.845
  252   2HB   ALA  35          2HB       ALA  35  14.088   8.209  -4.217
  253   3HB   ALA  35          3HB       ALA  35  14.263   6.630  -4.983
  254    HA   PRO  36           HA       PRO  36  16.545   7.352  -0.102
  255   1HB   PRO  36          2HB       PRO  36  14.896   9.236   0.964
  256   2HB   PRO  36          1HB       PRO  36  16.532   9.591   0.401
  257   1HG   PRO  36          2HG       PRO  36  13.915  10.033  -0.981
  258   2HG   PRO  36          1HG       PRO  36  15.327  11.103  -0.887
  259   1HD   PRO  36          2HD       PRO  36  14.796   9.586  -3.062
  260   2HD   PRO  36          1HD       PRO  36  16.452   9.975  -2.552
  261    HA   PRO  37           HA       PRO  37  13.111   4.805   0.988
  262   1HB   PRO  37          2HB       PRO  37  12.892   5.203   3.690
  263   2HB   PRO  37          1HB       PRO  37  14.145   4.207   2.942
  264   1HG   PRO  37          2HG       PRO  37  14.296   7.038   3.902
  265   2HG   PRO  37          1HG       PRO  37  15.476   5.727   4.090
  266   1HD   PRO  37          2HD       PRO  37  15.770   7.655   2.236
  267   2HD   PRO  37          1HD       PRO  37  16.290   5.982   1.941
  268    HA   PRO  38           HA       PRO  38   9.597   7.564   0.822
  269   1HB   PRO  38          2HB       PRO  38   7.668   5.651   0.760
  270   2HB   PRO  38          1HB       PRO  38   8.660   6.064  -0.642
  271   1HG   PRO  38          2HG       PRO  38   8.951   3.797   1.287
  272   2HG   PRO  38          1HG       PRO  38   9.109   3.791  -0.479
  273   1HD   PRO  38          2HD       PRO  38  11.250   3.831   1.173
  274   2HD   PRO  38          1HD       PRO  38  11.256   4.622  -0.417
  275    H    SER  39           H        SER  39   7.976   8.329   2.180
  276    HA   SER  39           HA       SER  39   8.114   7.349   4.939
  277   1HB   SER  39          2HB       SER  39   7.112   9.509   5.557
  278   2HB   SER  39          1HB       SER  39   8.564   9.740   4.583
  279    HG   SER  39           HG       SER  39   7.387  10.502   2.976