*HEADER    HYDROLASE                               31-JUL-08   2K72              
*TITLE     SOLUTION NMR STRUCTURE OF TOXIN-LIKE POTASSIUM CHANNEL                
*TITLE    2 BLOCKING DOMAIN IN MMP23                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MATRIX METALLOPROTEINASE-23;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 254-290;                                      
*COMPND   5 SYNONYM: MMP-23, MATRIX METALLOPEPTIDASE 23, METALOPROTEASE          
*COMPND   6 IN THE FEMALE REPRODUCTIVE TRACT, MIFR;                              
*COMPND   7 EC: 3.4.24.-;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE MMP23-BGK WITH THE                  
*SOURCE   4 SEQUENCE BASED ON THE RESIDUES 254-290 OF RATTUS NORVEGICUS          
*SOURCE   5 MATRIX METALLOPROTEINASE-23, UNIPROT ENTRY O88272,                   
*SOURCE   6 MMP23_RAT                                                            
*KEYWDS    TOXIN, METALLOPROTEASE, MMP23, POTASSIUM CHANNEL, CLEAVAGE            
*KEYWDS   2 ON PAIR OF BASIC RESIDUES, GLYCOPROTEIN, HYDROLASE,                  
*KEYWDS   3 IMMUNOGLOBULIN DOMAIN, MEMBRANE, METAL-BINDING, SIGNAL-              
*KEYWDS   4 ANCHOR, TRANSMEMBRANE, ZINC, ZYMOGEN                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.K.KHOO, Z.FENG, R.S.NORTON                                          
*REVDAT   1   05-JAN-10 2K72    0                                                



!Long range
assign (resid    6 and name   HN ) (resid   29 and name   HA ) 4.91 3.11 0.0 
assign (resid    5 and name   HA ) (resid   30 and name   HA ) 4.26 2.46 0.0 
assign (resid    6 and name   HN ) (resid   30 and name   HA ) 4.46 2.66 0.0 
assign (resid    5 and name   HN ) (resid   30 and name   HA ) 5.21 3.41 0.0 
assign (resid    5 and name   HA ) (resid   30 and name   HN ) 5.42 3.62 0.0 
assign (resid    4 and name   HA ) (resid   31 and name  HG2 ) 4.96 3.16 0.0 
assign (resid    4 and name   HN ) (resid   31 and name  HG1 ) 4.72 2.92 0.0 
assign (resid    4 and name   HN ) (resid   31 and name  HG2 ) 4.60 2.80 0.0 
assign (resid    5 and name   HA ) (resid   31 and name  HG2 ) 4.94 3.14 0.0 
assign (resid    5 and name   HA ) (resid   31 and name  HG1 ) 4.94 3.14 0.0 
assign (resid    5 and name   HA ) (resid   31 and name  HD2 ) 4.36 2.56 0.0 
assign (resid    5 and name   HA ) (resid   31 and name  HD1 ) 4.44 2.64 0.0 
assign (resid    6 and name   HN ) (resid   31 and name  HD2 ) 4.75 2.95 0.0 
assign (resid    5 and name   HA ) (resid   32 and name   HN ) 4.78 2.98 0.0 
assign (resid   19 and name  HB# ) (resid   34 and name  HB1 ) 4.50 2.70 0.0 
assign (resid   19 and name  HB# ) (resid   34 and name   HA ) 4.66 2.86 0.0 
assign (resid   19 and name  HB# ) (resid   34 and name  HB2 ) 4.50 2.70 0.0 
assign (resid   27 and name   HA ) (resid   36 and name  HB1 ) 4.89 3.09 0.0 
assign (resid   27 and name   HA ) (resid   36 and name  HB2 ) 4.99 3.19 0.0 
assign (resid   27 and name   HA ) (resid   36 and name   HA ) 5.16 3.36 0.0 
assign (resid    5 and name   HN ) (resid   32 and name  HB# ) 4.55 2.75 0.0 
assign (resid    5 and name   HN ) (resid   31 and name  HG1 ) 5.50 3.70 0.0
assign (resid    5 and name   HN ) (resid   31 and name  HG2 ) 5.50 3.70 0.0
assign (resid    5 and name   HN ) (resid   31 and name  HD1 ) 5.50 3.70 0.0
assign (resid    5 and name   HN ) (resid   31 and name  HD2 ) 5.50 3.70 0.0
assign (resid    5 and name   HN ) (resid   32 and name  HA  ) 5.50 3.70 0.0
assign (resid    4 and name   HN ) (resid   31 and name  HB1 ) 5.50 3.70 0.0 
assign (resid    4 and name   HN ) (resid   31 and name  HB2 ) 5.50 3.70 0.0
assign (resid    4 and name   HN ) (resid   31 and name  HD2 ) 5.50 3.70 0.0
assign (resid    4 and name   HN ) (resid   31 and name  HD1 ) 5.50 3.70 0.0
assign (resid    7 and name   HN ) (resid   30 and name  HA  ) 5.50 3.70 0.0
assign (resid    3 and name   HN ) (resid   37 and name  HB2 ) 5.50 3.70 0.0
assign (resid   14 and name   HN ) (resid   26 and name   HE# ) 3.98 2.18 0.0
assign (resid   18 and name   HN ) (resid   26 and name   HE# ) 4.56 2.76 0.0
assign (resid   14 and name   HA ) (resid   26 and name   HE# ) 3.50 1.70 0.0
assign (resid   13 and name   HA ) (resid   26 and name   HE# ) 4.79 2.99 0.0
assign (resid   15 and name   HN ) (resid   26 and name   HE# ) 5.64 3.84 0.0
assign (resid    5 and name   HN ) (resid   32 and name   HN ) 5.08 3.28 0.0 
assign (resid    6 and name   HN ) (resid   30 and name  HB2 ) 5.03 3.23 0.0 
assign (resid   14 and name   HB# ) (resid   33 and name  HB2 ) 4.06 2.26 0.0
assign (resid   14 and name   HB# ) (resid   33 and name  HB1 ) 4.06 2.26 0.0
assign (resid   27 and name   HA ) (resid   36 and name   HD# ) 3.45 1.65 0.0
assign (resid   27 and name   HN ) (resid   36 and name   HD# ) 4.83 3.03 0.0
assign (resid   26 and name   HN ) (resid   36 and name   HE# ) 4.91 3.11 0.0
assign (resid   27 and name   HA ) (resid   36 and name   HE# ) 3.97 2.17 0.0
assign (resid   27 and name   HN ) (resid   36 and name   HE# ) 4.72 2.92 0.0
assign (resid   10 and name  HB1 ) (resid   30 and name   HA ) 5.38 3.58 0.0 
assign (resid   10 and name  HB1 ) (resid   30 and name  HB2 ) 4.27 2.47 0.0 
assign (resid   13 and name  HZ3 ) (resid   29 and name HD1# ) 4.00 2.20 0.0 
assign (resid   13 and name  HH2 ) (resid   29 and name HD1# ) 4.26 2.46 0.0 
assign (resid   13 and name  HE3 ) (resid   29 and name HD1# ) 4.54 2.74 0.0 
assign (resid   13 and name  HZ2 ) (resid   29 and name HD1# ) 4.86 3.06 0.0 
assign (resid   18 and name  HD# ) (resid   26 and name  HE# ) 4.22 2.42 0.0 
assign (resid   13 and name  HE3 ) (resid   26 and name  HE# ) 4.05 2.25 0.0 
assign (resid   13 and name  HZ3 ) (resid   26 and name  HE# ) 4.96 3.16 0.0 
assign (resid   18 and name  HD# ) (resid   25 and name HD2# ) 4.33 2.53 0.0 
assign (resid   18 and name   HZ ) (resid   25 and name HD2# ) 4.67 2.87 0.0 
assign (resid   18 and name  HE# ) (resid   25 and name HD2# ) 5.50 3.70 0.0 
assign (resid   13 and name  HZ3 ) (resid   25 and name HD2# ) 4.41 2.61 0.0 
assign (resid   13 and name  HE3 ) (resid   25 and name HD2# ) 4.64 2.84 0.0 
assign (resid   13 and name  HH2 ) (resid   25 and name HD2# ) 4 67 2.87 0.0 
assign (resid   13 and name  HZ2 ) (resid   25 and name HD2# ) 5.00 3.20 0.0 
assign (resid   23 and name   HA ) (resid   36 and name  HE# ) 4.17 2.37 0.0 
assign (resid   23 and name   HA ) (resid   36 and name   HZ ) 4.70 2.90 0.0 
assign (resid   20 and name   HA ) (resid   36 and name  HE# ) 5.63 3.83 0.0 
assign (resid   20 and name   HA ) (resid   36 and name   HZ ) 5.73 3.93 0.0 
assign (resid   19 and name   HA ) (resid   36 and name  HD# ) 5.07 3.27 0.0 
assign (resid   19 and name   HA ) (resid   36 and name  HE# ) 4.29 2.49 0.0 
assign (resid   19 and name   HA ) (resid   36 and name   HZ ) 4.71 2.91 0.0 
assign (resid   19 and name  HB# ) (resid   36 and name  HD# ) 4.96 3.16 0.0 
assign (resid   19 and name  HB# ) (resid   36 and name  HE# ) 4.35 2.55 0.0 
assign (resid   19 and name  HB# ) (resid   36 and name   HZ ) 4.53 2.73 0.0 
assign (resid    7 and name HD1# ) (resid   13 and name  HH2 ) 4.11 2.31 0.0 
assign (resid    7 and name HD1# ) (resid   13 and name  HZ2 ) 4.47 2.67 0.0 
assign (resid    7 and name HD1# ) (resid   13 and name  HZ3 ) 4.09 2.29 0.0 
assign (resid    7 and name HG2# ) (resid   13 and name  HH2 ) 4.56 2.76 0.0 
assign (resid    7 and name HG2# ) (resid   13 and name  HZ3 ) 4.54 2.74 0.0 
assign (resid    7 and name HG11 ) (resid   13 and name  HH2 ) 4.33 2.53 0.0 
assign (resid    7 and name HG11 ) (resid   13 and name  HZ3 ) 4.13 2.33 0.0 
assign (resid    7 and name HG12 ) (resid   13 and name  HH2 ) 5.27 3.47 0.0 
assign (resid    7 and name HG12 ) (resid   13 and name  HZ3 ) 5.38 3.58 0.0 
assign (resid   13 and name  HE3 ) (resid   30 and name  HB1 ) 5.37 3.57 0.0 
assign (resid   13 and name  HE3 ) (resid   30 and name  HB2 ) 5.37 3.57 0.0 
assign (resid    9 and name  HG* ) (resid   18 and name  HD# ) 5.12 3.32 0.0 
assign (resid    9 and name  HG* ) (resid   18 and name  HE# ) 5.50 3.70 0.0 


!Intra residue
assign (resid    1 and name   HA ) (resid    1 and name  HB# ) 4.53 2.73 0.0 
assign (resid    2 and name   HN ) (resid    2 and name  HA# ) 3.48 1.68 0.0 
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 3.45 1.65 0.0 
assign (resid    3 and name   HN ) (resid    3 and name  HB# ) 3.49 1.69 0.0 
assign (resid    3 and name   HA ) (resid    3 and name  HB# ) 3.71 1.91 0.0 
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 3.17 1.37 0.0 
assign (resid    4 and name   HN ) (resid    4 and name   HG ) 3.77 1.97 0.0 
assign (resid    4 and name   HA ) (resid    4 and name   HG ) 3.89 2.09 0.0 
assign (resid    4 and name   HA ) (resid    4 and name  HB# ) 3.64 1.84 0.0 
assign (resid    4 and name   HN ) (resid    4 and name  HB# ) 4.08 2.28 0.0 
assign (resid    4 and name   HG ) (resid    4 and name  HD* ) 3.51 1.71 0.0 
assign (resid    4 and name  HB# ) (resid    4 and name  HD* ) 3.54 1.74 0.0 
assign (resid    4 and name   HN ) (resid    4 and name  HD* ) 4.20 2.40 0.0 
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 4.21 2.41 0.0 
assign (resid    5 and name   HN ) (resid    5 and name  HB2 ) 3.87 2.07 0.0 
assign (resid    5 and name   HA ) (resid    5 and name  HB2 ) 4.28 2.48 0.0 
assign (resid    5 and name  HB2 ) (resid    5 and name  HB1 ) 3.39 1.59 0.0 
assign (resid    5 and name   HN ) (resid    5 and name  HB1 ) 3.74 1.94 0.0 
assign (resid    5 and name   HA ) (resid    5 and name  HB1 ) 4.30 2.50 0.0 
assign (resid    6 and name   HN ) (resid    6 and name   HA ) 4.02 2.22 0.0 
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 4.19 2.39 0.0 
assign (resid    7 and name   HA ) (resid    7 and name   HB ) 3.64 1.84 0.0 
assign (resid    7 and name   HN ) (resid    7 and name   HB ) 4.49 2.69 0.0 
assign (resid    7 and name   HB ) (resid    7 and name HG12 ) 4.08 2.28 0.0 
assign (resid    7 and name   HN ) (resid    7 and name HG12 ) 4.42 2.62 0.0 
assign (resid    7 and name   HA ) (resid    7 and name HG12 ) 4.52 2.72 0.0 
assign (resid    7 and name   HN ) (resid    7 and name HG11 ) 4.42 2.62 0.0 
assign (resid    7 and name   HB ) (resid    7 and name HG11 ) 4.14 2.34 0.0 
assign (resid    7 and name   HA ) (resid    7 and name HG11 ) 4.51 2.71 0.0 
assign (resid    7 and name   HB ) (resid    7 and name HD1# ) 3.72 1.92 0.0 
assign (resid    7 and name   HA ) (resid    7 and name HD1# ) 4.41 2.61 0.0 
assign (resid    7 and name   HN ) (resid    7 and name HD1# ) 4.79 2.99 0.0 
assign (resid    7 and name   HA ) (resid    7 and name HG2# ) 3.19 1.39 0.0 
assign (resid    7 and name   HB ) (resid    7 and name HG2# ) 3.33 1.53 0.0 
assign (resid    7 and name   HN ) (resid    7 and name HG2# ) 4.17 2.37 0.0 
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.56 1.76 0.0 
assign (resid    8 and name   HA ) (resid    8 and name  HB2 ) 3.54 1.74 0.0 
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 3.73 1.73 0.0 
assign (resid    8 and name  HB2 ) (resid    8 and name  HB1 ) 3.00 1.20 0.0 
assign (resid    8 and name   HA ) (resid    8 and name  HB1 ) 3.53 1.73 0.0 
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 4.53 2.73 0.0 
assign (resid    9 and name   HA ) (resid    9 and name   HB ) 3.35 1.55 0.0 
assign (resid    9 and name   HN ) (resid    9 and name   HB ) 4.58 2.78 0.0 
assign (resid    9 and name   HB ) (resid    9 and name  HG* ) 3.63 1.83 0.0 
assign (resid    9 and name   HA ) (resid    9 and name  HG* ) 3.69 1.89 0.0 
assign (resid    9 and name   HN ) (resid    9 and name  HG* ) 4.16 2.36 0.0 
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.48 1.68 0.0 
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 3.53 1.73 0.0 
assign (resid   10 and name   HA ) (resid   10 and name  HB2 ) 3.83 2.03 0.0 
assign (resid   10 and name  HB2 ) (resid   10 and name  HB1 ) 3.49 1.69 0.0 
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 4.05 2.25 0.0 
assign (resid   10 and name   HA ) (resid   10 and name  HB1 ) 4.04 2.24 0.0 
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.61 1.81 0.0 
assign (resid   11 and name   HA ) (resid   11 and name   HB ) 3.46 1.56 0.0 
assign (resid   11 and name   HN ) (resid   11 and name   HB ) 3.65 1.85 0.0 
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 3.54 1.74 0.0 
assign (resid   12 and name   HN ) (resid   12 and name  HB# ) 3.15 1.35 0.0 
assign (resid   12 and name   HA ) (resid   12 and name  HB# ) 3.36 1.56 0.0 
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.93 2.13 0.0 
assign (resid   13 and name   HN ) (resid   13 and name  HB2 ) 3.84 2.04 0.0 
assign (resid   13 and name   HA ) (resid   13 and name  HB2 ) 4.33 2.53 0.0 
assign (resid   13 and name  HB2 ) (resid   13 and name  HB1 ) 3.70 1.90 0.0 
assign (resid   13 and name   HN ) (resid   13 and name  HB1 ) 3.93 2.13 0.0 
assign (resid   13 and name   HA ) (resid   13 and name  HB1 ) 4.29 2.49 0.0 
assign (resid   14 and name   HA ) (resid   14 and name  HB# ) 3.26 1.46 0.0 
assign (resid   14 and name   HN ) (resid   14 and name  HB# ) 3.35 1.55 0.0 
assign (resid   14 and name   HN ) (resid   14 and name   HA ) 3.80 2.00 0.0 
assign (resid   15 and name   HN ) (resid   15 and name   HA ) 3.59 1.79 0.0 
assign (resid   16 and name   HN ) (resid   16 and name   HA ) 3.80 2.00 0.0 
assign (resid   17 and name   HN ) (resid   17 and name  HA1 ) 3.60 1.80 0.0 
assign (resid   17 and name   HN ) (resid   17 and name  HA2 ) 3.46 1.66 0.0 
assign (resid   17 and name  HA1 ) (resid   17 and name  HA2 ) 3.91 2.11 0.0 
assign (resid   18 and name   HN ) (resid   18 and name   HA ) 4.09 2.29 0.0 
assign (resid   18 and name   HN ) (resid   18 and name  HB2 ) 3.95 2.15 0.0 
assign (resid   18 and name   HA ) (resid   18 and name  HB2 ) 4.35 2.55 0.0 
assign (resid   18 and name   HN ) (resid   18 and name  HB1 ) 3.85 2.05 0.0 
assign (resid   18 and name   HA ) (resid   18 and name  HB1 ) 3.96 2.16 0.0 
assign (resid   19 and name   HN ) (resid   19 and name   HA ) 3.90 2.10 0.0 
assign (resid   19 and name   HN ) (resid   19 and name  HB# ) 3.60 1.80 0.0 
assign (resid   19 and name   HA ) (resid   19 and name  HB# ) 3.65 1.85 0.0 
assign (resid   20 and name   HN ) (resid   20 and name   HA ) 3.77 1.97 0.0 
assign (resid   20 and name   HN ) (resid   20 and name  HB2 ) 3.61 1.81 0.0 
assign (resid   20 and name   HA ) (resid   20 and name  HB2 ) 3.89 2.09 0.0 
assign (resid   20 and name  HB2 ) (resid   20 and name  HB1 ) 3.02 1.22 0.0 
assign (resid   20 and name   HN ) (resid   20 and name  HB1 ) 3.65 1.85 0.0 
assign (resid   20 and name   HA ) (resid   20 and name  HB1 ) 3.66 1.86 0.0 
assign (resid   21 and name   HN ) (resid   21 and name   HA ) 3.77 1.97 0.0 
assign (resid   21 and name   HA ) (resid   21 and name   HB ) 3.58 1.78 0.0 
assign (resid   21 and name   HN ) (resid   21 and name   HB ) 3.81 2.01 0.0 
assign (resid   21 and name   HB ) (resid   21 and name  HG* ) 3.37 1.57 0.0 
assign (resid   21 and name   HN ) (resid   21 and name  HG* ) 3.38 1.58 0.0 
assign (resid   21 and name   HA ) (resid   21 and name  HG* ) 3.55 1.75 0.0 
assign (resid   22 and name   HN ) (resid   22 and name   HA ) 4.20 2.40 0.0 
assign (resid   23 and name   HN ) (resid   23 and name   HA ) 4.00 2.20 0.0 
assign (resid   23 and name   HN ) (resid   23 and name  HB2 ) 3.87 2.07 0.0 
assign (resid   23 and name   HA ) (resid   23 and name  HB2 ) 3.90 2.10 0.0 
assign (resid   23 and name  HB2 ) (resid   23 and name  HB1 ) 3.20 1.40 0.0 
assign (resid   23 and name   HA ) (resid   23 and name  HB1 ) 3.74 1.94 0.0 
assign (resid   23 and name   HN ) (resid   23 and name  HB1 ) 3.89 2.09 0.0 
assign (resid   23 and name  HB2 ) (resid   23 and name  HG2 ) 4.10 2.30 0.0 
assign (resid   23 and name   HA ) (resid   23 and name  HG2 ) 4.27 2.47 0.0 
assign (resid   23 and name  HB1 ) (resid   23 and name  HG2 ) 4.33 2.53 0.0 
assign (resid   23 and name   HN ) (resid   23 and name  HG2 ) 4.67 2.87 0.0 
assign (resid   23 and name  HB2 ) (resid   23 and name  HG1 ) 3.85 2.05 0.0 
assign (resid   23 and name  HB1 ) (resid   23 and name  HG1 ) 4.02 2.22 0.0 
assign (resid   23 and name   HA ) (resid   23 and name  HG1 ) 4.10 2.30 0.0 
assign (resid   23 and name   HN ) (resid   23 and name  HG1 ) 4.50 2.70 0.0 
assign (resid   24 and name   HN ) (resid   24 and name   HA ) 3.71 1.91 0.0 
assign (resid   25 and name   HN ) (resid   25 and name   HA ) 3.77 1.97 0.0 
assign (resid   25 and name   HN ) (resid   25 and name   HG ) 4.38 2.58 0.0 
assign (resid   25 and name   HA ) (resid   25 and name   HG ) 3.80 2.00 0.0 
assign (resid   25 and name   HN ) (resid   25 and name  HB# ) 3.40 1.60 0.0 
assign (resid   25 and name   HA ) (resid   25 and name  HB# ) 3.72 1.92 0.0 
assign (resid   25 and name   HN ) (resid   25 and name HD1# ) 4.38 2.58 0.0 
assign (resid   25 and name   HN ) (resid   25 and name HD2# ) 4.48 2.68 0.0 
assign (resid   26 and name   HN ) (resid   26 and name   HA ) 3.86 2.06 0.0 
assign (resid   26 and name   HN ) (resid   26 and name  HB# ) 3.91 2.11 0.0 
assign (resid   26 and name   HA ) (resid   26 and name  HB# ) 4.10 2.30 0.0 
assign (resid   26 and name  HB# ) (resid   26 and name  HG# ) 3.95 2.15 0.0 
assign (resid   26 and name   HN ) (resid   26 and name  HG# ) 4.10 2.30 0.0 
assign (resid   26 and name   HA ) (resid   26 and name  HG# ) 4.70 2.90 0.0 
assign (resid   27 and name   HN ) (resid   27 and name   HA ) 4.16 2.36 0.0 
assign (resid   28 and name   HN ) (resid   28 and name   HA ) 3.75 1.95 0.0 
assign (resid   29 and name   HN ) (resid   29 and name   HA ) 4.05 2.25 0.0 
assign (resid   29 and name   HN ) (resid   29 and name  HB2 ) 3.63 1.83 0.0 
assign (resid   29 and name   HA ) (resid   29 and name  HB2 ) 3.94 2.14 0.0 
assign (resid   29 and name  HB2 ) (resid   29 and name  HB1 ) 3.45 1.65 0.0 
assign (resid   29 and name   HA ) (resid   29 and name  HB1 ) 3.82 2.02 0.0 
assign (resid   29 and name   HN ) (resid   29 and name  HB1 ) 3.96 2.16 0.0 
assign (resid   29 and name   HN ) (resid   29 and name   HG ) 3.44 1.64 0.0 
assign (resid   29 and name  HB2 ) (resid   29 and name   HG ) 3.62 1.82 0.0 
assign (resid   29 and name   HA ) (resid   29 and name   HG ) 4.01 2.21 0.0 
assign (resid   29 and name  HB2 ) (resid   29 and name HD1# ) 3.54 1.74 0.0 
assign (resid   29 and name  HB1 ) (resid   29 and name HD1# ) 3.58 1.78 0.0 
assign (resid   29 and name   HA ) (resid   29 and name HD1# ) 4.07 2.27 0.0 
assign (resid   29 and name   HN ) (resid   29 and name HD1# ) 4.19 2.39 0.0 
assign (resid   29 and name   HA ) (resid   29 and name HD2# ) 4.07 2.27 0.0  
assign (resid   29 and name  HB2 ) (resid   29 and name HD2# ) 3.45 1.65 0.0 
assign (resid   29 and name  HB1 ) (resid   29 and name HD2# ) 3.57 1.77 0.0 
assign (resid   29 and name   HN ) (resid   29 and name HD2# ) 3.89 2.09 0.0 
assign (resid   30 and name   HN ) (resid   30 and name   HA ) 4.45 2.65 0.0 
assign (resid   30 and name   HA ) (resid   30 and name  HB2 ) 3.95 2.15 0.0 
assign (resid   30 and name   HN ) (resid   30 and name  HB2 ) 4.06 2.26 0.0 
assign (resid   30 and name  HB2 ) (resid   30 and name  HB1 ) 3.61 1.81 0.0 
assign (resid   30 and name   HA ) (resid   30 and name  HB1 ) 4.15 2.35 0.0 
assign (resid   30 and name   HN ) (resid   30 and name  HB1 ) 4.36 2.56 0.0 
assign (resid   31 and name   HA ) (resid   31 and name  HB2 ) 3.96 2.16 0.0 
assign (resid   31 and name  HD2 ) (resid   31 and name  HB2 ) 4.61 2.81 0.0 
assign (resid   31 and name  HD1 ) (resid   31 and name  HB2 ) 4.64 2.84 0.0 
assign (resid   31 and name  HB2 ) (resid   31 and name  HB1 ) 3.49 1.69 0.0 
assign (resid   31 and name  HD1 ) (resid   31 and name  HB1 ) 4.37 2.57 0.0 
assign (resid   31 and name  HB2 ) (resid   31 and name  HG2 ) 4.60 2.80 0.0 
assign (resid   31 and name   HA ) (resid   31 and name  HD2 ) 5.08 3.28 0.0 
assign (resid   31 and name  HD2 ) (resid   31 and name  HD1 ) 3.64 1.84 0.0 
assign (resid   31 and name   HA ) (resid   31 and name  HD1 ) 4.76 2.96 0.0 
assign (resid   31 and name  HD1 ) (resid   31 and name  HG2 ) 3.48 1.68 0.0 
assign (resid   31 and name  HD2 ) (resid   31 and name  HG2 ) 3.81 2.01 0.0 
assign (resid   31 and name  HG2 ) (resid   31 and name  HG1 ) 3.60 1.80 0.0 
assign (resid   31 and name  HD2 ) (resid   31 and name  HG1 ) 4.12 2.32 0.0 
assign (resid   31 and name  HB2 ) (resid   31 and name  HG1 ) 4.14 2.34 0.0 
assign (resid   31 and name  HD1 ) (resid   31 and name  HG1 ) 4.16 2.36 0.0 
assign (resid   32 and name   HN ) (resid   32 and name   HA ) 3.55 1.75 0.0 
assign (resid   33 and name   HN ) (resid   33 and name   HA ) 4.02 2.22 0.0 
assign (resid   33 and name   HN ) (resid   33 and name  HB2 ) 4.11 2.31 0.0 
assign (resid   33 and name   HA ) (resid   33 and name  HB2 ) 4.16 2.36 0.0 
assign (resid   33 and name  HB2 ) (resid   33 and name  HB1 ) 3.61 1.81 0.0 
assign (resid   33 and name   HA ) (resid   33 and name  HB1 ) 3.85 2.05 0.0 
assign (resid   33 and name   HN ) (resid   33 and name  HB1 ) 4.08 2.28 0.0 
assign (resid   34 and name   HN ) (resid   34 and name   HA ) 4.31 2.51 0.0 
assign (resid   34 and name   HA ) (resid   34 and name  HB2 ) 3.93 2.13 0.0 
assign (resid   34 and name   HN ) (resid   34 and name  HB2 ) 4.29 2.49 0.0 
assign (resid   34 and name   HA ) (resid   34 and name  HB1 ) 3.85 2.05 0.0 
assign (resid   34 and name   HN ) (resid   34 and name  HB1 ) 4.29 2.49 0.0 
assign (resid   35 and name   HN ) (resid   35 and name   HA ) 3.24 1.44 0.0 
assign (resid   35 and name   HA ) (resid   35 and name  HB2 ) 4.18 2.38 0.0 
assign (resid   35 and name   HN ) (resid   35 and name  HB2 ) 4.22 2.42 0.0 
assign (resid   35 and name  HB2 ) (resid   35 and name  HB1 ) 3.55 1.75 0.0 
assign (resid   35 and name   HN ) (resid   35 and name  HB1 ) 4.07 2.27 0.0 
assign (resid   35 and name   HA ) (resid   35 and name  HB1 ) 4.27 2.47 0.0 
assign (resid   36 and name   HN ) (resid   36 and name   HA ) 4.26 2.46 0.0 
assign (resid   36 and name   HN ) (resid   36 and name  HB2 ) 4.29 2.49 0.0 
assign (resid   36 and name   HA ) (resid   36 and name  HB2 ) 4.35 2.55 0.0 
assign (resid   36 and name  HB2 ) (resid   36 and name  HB1 ) 3.61 1.81 0.0 
assign (resid   36 and name   HN ) (resid   36 and name  HB1 ) 4.21 2.41 0.0 
assign (resid   36 and name   HA ) (resid   36 and name  HB1 ) 4.24 2.44 0.0 
assign (resid   37 and name   HN ) (resid   37 and name   HA ) 3.73 1.93 0.0 
assign (resid   37 and name   HA ) (resid   37 and name  HB2 ) 3.75 1.95 0.0 
assign (resid   37 and name   HN ) (resid   37 and name  HB2 ) 3.90 2.10 0.0 
assign (resid   37 and name  HB2 ) (resid   37 and name  HB1 ) 3.16 1.36 0.0 
assign (resid   37 and name   HN ) (resid   37 and name  HB1 ) 3.63 1.83 0.0 
assign (resid   37 and name   HA ) (resid   37 and name  HB1 ) 3.74 1.94 0.0 
assign (resid    6 and name   HN ) (resid    6 and name  HB2 ) 4.16 2.36 0.0 
assign (resid    6 and name   HN ) (resid    6 and name  HB1 ) 4.10 2.30 0.0 
assign (resid    6 and name   HN ) (resid    6 and name  HG2 ) 4.32 2.52 0.0 
assign (resid    6 and name   HN ) (resid    6 and name  HG1 ) 4.33 2.53 0.0 
assign (resid    6 and name   HA ) (resid    6 and name  HB2 ) 3.69 1.89 0.0 
assign (resid   22 and name   HA ) (resid   22 and name  HB2 ) 3.85 2.05 0.0 
assign (resid   22 and name   HN ) (resid   22 and name  HB2 ) 4.42 2.62 0.0 
assign (resid   22 and name   HN ) (resid   22 and name  HB1 ) 4.60 2.80 0.0 
assign (resid   22 and name   HA ) (resid   22 and name  HD2 ) 5.01 3.21 0.0 
assign (resid   22 and name   HN ) (resid   22 and name  HD2 ) 5.66 3.86 0.0 
assign (resid   22 and name   HA ) (resid   22 and name  HG2 ) 4.40 2.60 0.0 
assign (resid   22 and name   HN ) (resid   22 and name  HG2 ) 4.98 3.18 0.0 
assign (resid   22 and name   HA ) (resid   22 and name  HG1 ) 4.74 2.94 0.0 
assign (resid   22 and name   HN ) (resid   22 and name  HG1 ) 4.92 3.12 0.0 
assign (resid   28 and name   HN ) (resid   28 and name  HB2 ) 3.78 1.98 0.0 
assign (resid   28 and name   HN ) (resid   28 and name  HB1 ) 3.77 1.97 0.0 
assign (resid   28 and name   HN ) (resid   28 and name  HG2 ) 3.66 1.86 0.0 
assign (resid   28 and name   HN ) (resid   28 and name  HG1 ) 3.86 2.06 0.0 


!seqeuntial
assign (resid    1 and name   HA ) (resid    2 and name   HN ) 4.21 2.41 0.0 
assign (resid    2 and name  HA# ) (resid    3 and name   HN ) 3.20 1.40 0.0 
assign (resid    3 and name  HB# ) (resid    4 and name   HN ) 3.98 2.18 0.0 
assign (resid    3 and name   HN ) (resid    4 and name   HN ) 4.86 3.06 0.0 
assign (resid    4 and name   HA ) (resid    5 and name  HB2 ) 5.60 3.80 0.0 
assign (resid    4 and name   HA ) (resid    5 and name  HB1 ) 4.71 2.91 0.0 
assign (resid    4 and name   HA ) (resid    5 and name   HN ) 3.75 1.95 0.0 
assign (resid    4 and name  HB# ) (resid    5 and name   HN ) 3.83 2.03 0.0 
assign (resid    4 and name  HD* ) (resid    5 and name   HN ) 3.89 2.09 0.0 
assign (resid    4 and name   HG ) (resid    5 and name   HN ) 4.03 2.23 0.0 
assign (resid    4 and name   HN ) (resid    5 and name   HN ) 4.75 2.95 0.0 
assign (resid    5 and name   HA ) (resid    6 and name   HN ) 3.78 1.98 0.0 
assign (resid    5 and name  HB1 ) (resid    6 and name   HN ) 4.72 2.92 0.0 
assign (resid    5 and name   HN ) (resid    6 and name   HN ) 5.36 3.56 0.0 
assign (resid    6 and name   HN ) (resid    7 and name   HN ) 3.99 2.19 0.0 
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 4.34 2.54 0.0 
assign (resid    7 and name   HA ) (resid    8 and name   HA ) 5.05 3.25 0.0 
assign (resid    7 and name   HB ) (resid    8 and name  HB1 ) 5.38 3.58 0.0 
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.25 1.45 0.0 
assign (resid    7 and name   HB ) (resid    8 and name   HN ) 3.67 1.87 0.0 
assign (resid    7 and name   HN ) (resid    8 and name   HN ) 4.75 2.95 0.0 
assign (resid    7 and name HD1# ) (resid    8 and name   HA ) 5.66 3.86 0.0 
assign (resid    7 and name HG2# ) (resid    8 and name   HN ) 3.94 2.14 0.0 
assign (resid    7 and name HD1# ) (resid    8 and name   HN ) 4.59 2.79 0.0 
assign (resid    8 and name   HA ) (resid    9 and name  HG* ) 5.41 3.61 0.0 
assign (resid    8 and name  HB1 ) (resid    9 and name   HN ) 5.19 3.39 0.0 
assign (resid    8 and name   HA ) (resid    9 and name   HN ) 5.23 3.43 0.0 
assign (resid    8 and name  HB2 ) (resid    9 and name   HN ) 5.25 3.45 0.0 
assign (resid    8 and name   HN ) (resid    9 and name   HN ) 4.31 2.51 0.0 
assign (resid    8 and name  HB2 ) (resid    9 and name  HG* ) 5.50 3.70 0.0 
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 3.92 2.12 0.0 
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 4.11 2.31 0.0 
assign (resid    9 and name   HB ) (resid   10 and name   HN ) 4.50 2.70 0.0 
assign (resid   10 and name  HB2 ) (resid   11 and name   HA ) 5.34 3.54 0.0 
assign (resid   10 and name  HB1 ) (resid   11 and name   HA ) 5.34 3.54 0.0 
assign (resid   10 and name   HN ) (resid   11 and name   HN ) 4.11 2.31 0.0 
assign (resid   10 and name  HB2 ) (resid   11 and name   HN ) 4.48 2.68 0.0 
assign (resid   10 and name  HB1 ) (resid   11 and name   HN ) 4.48 2.68 0.0 
assign (resid   11 and name   HB ) (resid   12 and name   HN ) 3.54 1.74 0.0 
assign (resid   12 and name  HB# ) (resid   13 and name   HN ) 3.58 1.78 0.0 
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 3.80 2.00 0.0 
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.81 2.01 0.0 
assign (resid    9 and name  HG* ) (resid   10 and name   HA ) 5.05 3.25 0.0 
assign (resid   13 and name   HN ) (resid   14 and name   HN ) 3.86 2.06 0.0 
assign (resid   13 and name  HB2 ) (resid   14 and name   HN ) 4.18 2.38 0.0 
assign (resid   13 and name  HB1 ) (resid   14 and name   HN ) 4.18 2.38 0.0 
assign (resid   13 and name   HA ) (resid   14 and name   HN ) 4.40 2.60 0.0 
assign (resid   13 and name  HB1 ) (resid   14 and name  HB# ) 4.75 2.95 0.0 
assign (resid   13 and name  HB2 ) (resid   14 and name  HB# ) 4.75 2.95 0.0 
assign (resid   14 and name   HN ) (resid   15 and name   HN ) 3.83 2.03 0.0 
assign (resid   14 and name   HA ) (resid   15 and name   HN ) 4.50 2.70 0.0 
assign (resid   15 and name   HN ) (resid   16 and name   HN ) 3.79 1.99 0.0 
assign (resid   15 and name   HA ) (resid   16 and name   HN ) 3.96 2.16 0.0 
assign (resid   16 and name   HN ) (resid   17 and name   HN ) 3.81 2.01 0.0 
assign (resid   16 and name   HA ) (resid   17 and name   HN ) 4.06 2.26 0.0 
assign (resid   17 and name   HN ) (resid   18 and name   HN ) 3.75 1.95 0.0 
assign (resid   17 and name  HA2 ) (resid   18 and name   HN ) 4.39 2.59 0.0 
assign (resid   17 and name  HA1 ) (resid   18 and name   HN ) 4.39 2.59 0.0 
assign (resid   18 and name   HA ) (resid   19 and name   HN ) 4.11 2.31 0.0 
assign (resid   18 and name   HN ) (resid   19 and name   HN ) 4.13 2.33 0.0 
assign (resid   18 and name  HB2 ) (resid   19 and name   HN ) 5.04 2.24 0.0 
assign (resid   19 and name   HN ) (resid   20 and name   HN ) 3.72 1.92 0.0 
assign (resid   19 and name   HA ) (resid   20 and name   HN ) 3.99 2.19 0.0 
assign (resid   20 and name  HB2 ) (resid   21 and name  HG* ) 4.46 2.66 0.0 
assign (resid   20 and name  HB1 ) (resid   21 and name  HG* ) 4.47 2.67 0.0 
assign (resid   20 and name   HA ) (resid   21 and name  HG* ) 5.10 3.30 0.0 
assign (resid   21 and name  HG* ) (resid   22 and name   HA ) 4.71 2.91 0.0 
assign (resid   21 and name   HN ) (resid   22 and name   HN ) 3.85 2.05 0.0 
assign (resid   21 and name  HG* ) (resid   22 and name   HN ) 3.98 2.18 0.0 
assign (resid   21 and name   HA ) (resid   22 and name   HN ) 4.29 2.49 0.0 
assign (resid   21 and name   HB ) (resid   22 and name   HN ) 4.00 2.20 0.0 
assign (resid   22 and name   HA ) (resid   23 and name   HN ) 3.91 2.11 0.0 
assign (resid   22 and name   HN ) (resid   23 and name   HN ) 4.32 2.52 0.0 
assign (resid   23 and name   HN ) (resid   24 and name   HN ) 3.51 1.81 0.0 
assign (resid   23 and name   HA ) (resid   24 and name   HN ) 4.27 2.47 0.0 
assign (resid   23 and name  HB1 ) (resid   24 and name   HN ) 4.31 2.51 0.0 
assign (resid   23 and name  HB2 ) (resid   24 and name   HN ) 4.31 2.51 0.0 
assign (resid   24 and name   HA ) (resid   25 and name   HN ) 4.20 2.40 0.0 
assign (resid   25 and name   HN ) (resid   26 and name   HN ) 3.75 1.95 0.0 
assign (resid   25 and name   HA ) (resid   26 and name   HN ) 3.91 2.11 0.0 
assign (resid   25 and name   HG ) (resid   26 and name   HN ) 3.98 2.18 0.0 
assign (resid   25 and name HD2# ) (resid   26 and name   HN ) 4.66 2.86 0.0 
assign (resid   26 and name   HN ) (resid   27 and name   HN ) 3.71 1.91 0.0 
assign (resid   26 and name   HA ) (resid   27 and name   HN ) 4.02 2.22 0.0 
assign (resid   26 and name  HB# ) (resid   27 and name   HN ) 4.48 2.68 0.0 
assign (resid   27 and name   HN ) (resid   28 and name   HN ) 4.04 2.24 0.0 
assign (resid   27 and name   HA ) (resid   28 and name   HN ) 4.57 2.77 0.0 
assign (resid   28 and name   HN ) (resid   29 and name   HN ) 3.74 1.94 0.0 
assign (resid   28 and name   HA ) (resid   29 and name   HN ) 4.19 2.39 0.0 
assign (resid   29 and name   HN ) (resid   30 and name   HN ) 3.68 1.88 0.0 
assign (resid   29 and name  HB2 ) (resid   30 and name   HN ) 4.37 2.57 0.0 
assign (resid   29 and name   HA ) (resid   30 and name   HN ) 4.82 3.02 0.0 
assign (resid   29 and name HD2# ) (resid   30 and name   HN ) 4.90 3.10 0.0 
assign (resid   29 and name HD1# ) (resid   30 and name   HN ) 5.15 3.35 0.0 
assign (resid   30 and name   HA ) (resid   31 and name  HD2 ) 4.34 2.54 0.0 
assign (resid   30 and name   HA ) (resid   31 and name  HG1 ) 5.26 3.46 0.0 
assign (resid   31 and name  HG2 ) (resid   32 and name   HN ) 4.34 2.54 0.0 
assign (resid   32 and name   HN ) (resid   33 and name   HN ) 3.90 2.10 0.0 
assign (resid   32 and name   HA ) (resid   33 and name   HN ) 4.54 2.74 0.0 
assign (resid   33 and name   HN ) (resid   34 and name   HN ) 4.36 2.56 0.0 
assign (resid   33 and name   HA ) (resid   34 and name   HN ) 4.79 2.99 0.0 
assign (resid   33 and name  HB2 ) (resid   34 and name   HN ) 4.91 3.11 0.0 
assign (resid   33 and name  HB1 ) (resid   34 and name   HN ) 4.91 3.11 0.0 
assign (resid   34 and name   HN ) (resid   35 and name   HN ) 3.90 2.10 0.0 
assign (resid   34 and name   HA ) (resid   35 and name   HN ) 4.22 2.42 0.0 
assign (resid   34 and name  HB2 ) (resid   35 and name   HN ) 4.73 2.93 0.0 
assign (resid   34 and name  HB1 ) (resid   35 and name   HN ) 4.73 2.93 0.0 
assign (resid   35 and name   HA ) (resid   36 and name   HN ) 3.86 2.06 0.0 
assign (resid   35 and name   HN ) (resid   36 and name   HN ) 3.99 2.19 0.0 
assign (resid   35 and name  HB2 ) (resid   36 and name   HN ) 4.83 3.03 0.0 
assign (resid   35 and name  HB1 ) (resid   36 and name   HN ) 4.84 3.04 0.0 
assign (resid   36 and name   HN ) (resid   37 and name   HN ) 3.87 2.07 0.0 
assign (resid   36 and name   HA ) (resid   37 and name   HN ) 4.05 2.25 0.0 
assign (resid   36 and name  HB1 ) (resid   37 and name   HN ) 4.74 2.94 0.0 
assign (resid   36 and name  HB2 ) (resid   37 and name   HN ) 4.80 3.00 0.0 
assign (resid   30 and name   HA ) (resid   31 and name  HG2 ) 5.26 3.46 0.0 
assign (resid   18 and name  HD# ) (resid   19 and name    HA ) 4.85 3.05 0.0
assign (resid   18 and name  HD# ) (resid   19 and name    HN ) 5.05 3.25 0.0
assign (resid    3 and name   HA ) (resid    4 and name   HN  ) 4.00 2.20 0.0
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 4.32 2.52 0.0 
assign (resid   14 and name   HB# ) (resid   15 and name   HN ) 3.66 1.86 0.0
assign (resid   16 and name   HB# ) (resid   17 and name   HN ) 4.21 2.41 0.0
assign (resid   28 and name  HB1 ) (resid   29 and name   HN ) 4.05 2.25 0.0 
assign (resid   15 and name   HB# ) (resid   16 and name   HN ) 3.91 2.11 0.0
assign (resid   32 and name   HG# ) (resid   33 and name   HN ) 4.10 2.30 0.0
assign (resid   32 and name   HB# ) (resid   33 and name   HN ) 4.24 2.44 0.0
assign (resid    5 and name   HA ) (resid    6 and name  HB2 ) 5.64 3.84 0.0 
assign (resid    5 and name   HA ) (resid    6 and name  HB1 ) 5.64 3.84 0.0 
assign (resid    5 and name   HA ) (resid    6 and name  HG1 ) 5.46 3.66 0.0 
assign (resid    5 and name   HA ) (resid    6 and name   HD# ) 5.70 3.90 0.0



!short

assign (resid    2 and name  HA# ) (resid    4 and name  HD* ) 4.54 2.74 0.0 
assign (resid    5 and name   HA ) (resid    7 and name   HN ) 4.69 2.89 0.0 
assign (resid    5 and name  HB2 ) (resid    7 and name   HN ) 4.75 2.95 0.0 
assign (resid    5 and name  HB1 ) (resid    7 and name   HN ) 4.76 2.96 0.0 
assign (resid    5 and name   HN ) (resid    7 and name   HN ) 5.51 3.81 0.0 
assign (resid   31 and name  HB1 ) (resid   36 and name   HA ) 5.29 3.49 0.0 
assign (resid   31 and name  HB2 ) (resid   36 and name   HA ) 5.42 3.62 0.0 
assign (resid   31 and name   HA ) (resid   36 and name  HE# ) 4.35 2.55 0.0 
assign (resid   10 and name   HA ) (resid   13 and name  HE3 ) 4.14 2.34 0.0 
assign (resid   10 and name   HA ) (resid   13 and name  HZ3 ) 4.97 3.17 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HD1 ) 4.22 2.42 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HE3 ) 4.51 2.71 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HH2 ) 4.16 2.36 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HZ3 ) 4.44 2.64 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HZ2 ) 3.82 2.02 0.0 
assign (resid   10 and name  HB1 ) (resid   13 and name  HE3 ) 5.38 3.58 0.0 
assign (resid   31 and name   HA ) (resid   36 and name  HB2 ) 4.63 2.83 0.0 
assign (resid   31 and name   HA ) (resid   36 and name  HB1 ) 4.12 2.32 0.0 
assign (resid   31 and name  HB1 ) (resid   36 and name  HB2 ) 4.84 3.04 0.0 
assign (resid   31 and name  HB2 ) (resid   36 and name  HB2 ) 4.96 3.16 0.0 
assign (resid   31 and name  HB2 ) (resid   36 and name  HB1 ) 4.49 2.69 0.0 
assign (resid   31 and name  HB1 ) (resid   36 and name  HB1 ) 4.51 2.71 0.0 
assign (resid   27 and name   HA ) (resid   31 and name  HB1 ) 4.63 2.83 0.0 
assign (resid   27 and name   HA ) (resid   31 and name  HD1 ) 5.50 3.70 0.0 
assign (resid   26 and name   HA ) (resid   30 and name  HB2 ) 4.62 2.82 0.0 
assign (resid   26 and name   HA ) (resid   30 and name  HB1 ) 4.62 2.82 0.0 
assign (resid   27 and name   HA ) (resid   31 and name   HA ) 4.41 2.61 0.0 
assign (resid   30 and name  HB1 ) (resid   33 and name  HB2 ) 4.64 2.84 0.0 
assign (resid   31 and name   HA ) (resid   36 and name   HA ) 5.50 3.70 0.0 
assign (resid   31 and name   HA ) (resid   36 and name   HD# ) 3.64 1.84 0.0
assign (resid   34 and name  HB2 ) (resid   36 and name   HD# ) 4.25 2.45 0.0
assign (resid   34 and name  HB1 ) (resid   36 and name   HD# ) 4.25 2.45 0.0
assign (resid   34 and name   HA ) (resid   36 and name   HE# ) 4.73 2.93 0.0
assign (resid   34 and name  HB2 ) (resid   36 and name   HE# ) 4.25 2.45 0.0
assign (resid   34 and name  HB1 ) (resid   36 and name   HE# ) 4.25 2.45 0.0
assign (resid   13 and name  HD1 ) (resid   18 and name   HB2 ) 4.84 3.04 0.0
assign (resid   13 and name   HA ) (resid   18 and name   HD# ) 4.22 2.42 0.0
assign (resid   13 and name  HE3 ) (resid   18 and name   HD# ) 4.28 2.48 0.0
assign (resid   13 and name  HE1 ) (resid   18 and name   HE# ) 5.20 3.40 0.0
assign (resid   13 and name  HZ2 ) (resid   18 and name   HZ ) 4.54 2.74 0.0 
assign (resid   14 and name   HB# ) (resid   11 and name   HN ) 5.08 3.28 0.0
assign (resid   15 and name   HN ) (resid   17 and name   HN ) 5.14 3.34 0.0 
assign (resid   15 and name   HB# ) (resid   17 and name   HN ) 5.09 3.29 0.0
assign (resid   17 and name  HA1 ) (resid   19 and name   HN ) 5.04 3.24 0.0 
assign (resid   31 and name   HA ) (resid   36 and name   HN ) 4.53 2.73 0.0 
assign (resid    7 and name HD1# ) (resid    9 and name  HG* ) 3.91 2.11 0.0 
assign (resid    7 and name HG2# ) (resid    9 and name  HG* ) 4.37 2.57 0.0 
assign (resid    7 and name   HB ) (resid    9 and name  HG* ) 4.65 2.85 0.0 
assign (resid    7 and name   HN ) (resid    9 and name  HG* ) 5.68 3.88 0.0 
assign (resid    7 and name HG2# ) (resid    9 and name   HN ) 5.05 3.25 0.0 
assign (resid    7 and name   HB ) (resid    9 and name   HN ) 5.18 3.38 0.0 
assign (resid    7 and name HD1# ) (resid    9 and name   HN ) 5.42 3.62 0.0 
assign (resid    7 and name   HA ) (resid    9 and name   HN ) 5.61 3.81 0.0 
assign (resid    8 and name   HA ) (resid   10 and name   HN ) 4.20 2.40 0.0 
assign (resid    8 and name   HN ) (resid   10 and name   HN ) 5.05 2.25 0.0 
assign (resid   11 and name HG2# ) (resid   13 and name   HN ) 5.36 3.56 0.0 
assign (resid    9 and name  HG* ) (resid   11 and name   HN ) 5.25 3.45 0.0 
assign (resid    9 and name  HG* ) (resid   12 and name   HN ) 4.72 2.92 0.0 
assign (resid   10 and name   HA ) (resid   13 and name  HB2 ) 4.19 2.39 0.0 
assign (resid   10 and name   HA ) (resid   13 and name  HB1 ) 4.19 2.39 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name  HB1 ) 5.07 3.27 0.0 
assign (resid    9 and name  HG* ) (resid   13 and name   HN ) 4.70 2.90 0.0 
assign (resid   12 and name   HN ) (resid   14 and name   HN ) 4.75 2.95 0.0 
assign (resid   11 and name HG2# ) (resid   14 and name   HN ) 5.29 3.49 0.0 
assign (resid   11 and name   HA ) (resid   14 and name   HN ) 4.80 3.00 0.0 
assign (resid   10 and name   HA ) (resid   14 and name   HN ) 4.25 2.45 0.0 
assign (resid   13 and name   HA ) (resid   15 and name   HN ) 5.26 3.46 0.0 
assign (resid   13 and name  HB2 ) (resid   15 and name   HN ) 5.59 3.79 0.0 
assign (resid   13 and name  HB1 ) (resid   15 and name   HN ) 5.63 3.83 0.0 
assign (resid   11 and name   HA ) (resid   15 and name   HN ) 4.57 2.77 0.0 
assign (resid   14 and name   HN ) (resid   16 and name   HN ) 4.96 3.16 0.0 
assign (resid   11 and name HG2# ) (resid   15 and name   HN ) 5.21 3.41 0.0 
assign (resid   13 and name   HA ) (resid   16 and name   HN ) 4.43 1.63 0.0 
assign (resid   13 and name   HN ) (resid   16 and name   HN ) 5.64 3.84 0.0 
assign (resid   13 and name   HA ) (resid   17 and name   HN ) 5.40 3.60 0.0 
assign (resid   16 and name   HN ) (resid   18 and name   HN ) 4.85 3.05 0.0 
assign (resid   14 and name   HA ) (resid   18 and name   HN ) 5.00 3.20 0.0 
assign (resid   13 and name   HA ) (resid   18 and name   HN ) 5.38 3.58 0.0 
assign (resid   13 and name  HB2 ) (resid   18 and name   HN ) 5.49 3.69 0.0 
assign (resid   17 and name   HN ) (resid   19 and name   HN ) 4.87 3.07 0.0 
assign (resid   16 and name   HN ) (resid   19 and name   HN ) 5.21 3.41 0.0 
assign (resid   14 and name   HA ) (resid   19 and name   HN ) 4.62 2.82 0.0 
assign (resid   18 and name   HN ) (resid   21 and name  HG* ) 4.95 3.15 0.0 
assign (resid   18 and name  HB2 ) (resid   21 and name  HG* ) 5.48 3.68 0.0 
assign (resid   18 and name  HB1 ) (resid   21 and name  HG* ) 5.48 3.68 0.0 
assign (resid   17 and name   HN ) (resid   21 and name  HG* ) 5.48 3.68 0.0 
assign (resid   20 and name   HA ) (resid   22 and name   HN ) 5.56 3.76 0.0 
assign (resid   20 and name  HB2 ) (resid   22 and name   HN ) 5.77 3.97 0.0 
assign (resid   20 and name  HB1 ) (resid   22 and name   HN ) 5.77 3.97 0.0 
assign (resid   20 and name   HA ) (resid   23 and name  HB2 ) 5.25 3.45 0.0 
assign (resid   20 and name   HA ) (resid   23 and name  HB1 ) 5.25 3.45 0.0 
assign (resid   19 and name   HA ) (resid   22 and name   HN ) 5.70 3.90 0.0 
assign (resid   18 and name   HA ) (resid   22 and name   HN ) 4.52 2.72 0.0 
assign (resid   18 and name  HB2 ) (resid   22 and name   HN ) 5.36 3.56 0.0 
assign (resid   18 and name  HB1 ) (resid   22 and name   HN ) 5.36 3.56 0.0 
assign (resid   20 and name   HA ) (resid   23 and name  HG2 ) 5.38 3.58 0.0 
assign (resid   20 and name   HA ) (resid   23 and name  HG1 ) 5.38 3.58 0.0 
assign (resid   22 and name   HA ) (resid   24 and name   HN ) 4.61 2.81 0.0 
assign (resid   25 and name   HN ) (resid   27 and name   HN ) 5.26 3.46 0.0 
assign (resid   25 and name   HA ) (resid   27 and name   HN ) 5.27 3.47 0.0 
assign (resid   26 and name   HA ) (resid   28 and name   HN ) 5.02 3.22 0.0 
assign (resid   26 and name   HA ) (resid   30 and name   HN ) 4.30 2.50 0.0 
assign (resid   30 and name   HA ) (resid   32 and name   HN ) 4.87 3.07 0.0 
assign (resid   30 and name  HB1 ) (resid   33 and name   HN ) 4.90 3.10 0.0 
assign (resid   30 and name   HA ) (resid   33 and name   HN ) 5.20 3.40 0.0 
assign (resid   31 and name   HA ) (resid   34 and name   HN ) 4.88 3.08 0.0 
assign (resid   33 and name   HN ) (resid   35 and name   HN ) 5.12 3.32 0.0 
assign (resid   33 and name  HB1 ) (resid   35 and name   HN ) 5.41 3.61 0.0 
assign (resid   34 and name   HN ) (resid   36 and name   HN ) 5.17 3.37 0.0 
assign (resid   34 and name  HB2 ) (resid   36 and name   HN ) 5.38 3.58 0.0 
assign (resid   34 and name  HB1 ) (resid   36 and name   HN ) 5.38 3.58 0.0 
assign (resid   35 and name   HA ) (resid   37 and name   HN ) 3.90 2.10 0.0 
assign (resid   35 and name   HN ) (resid   37 and name   HN ) 4.76 2.96 0.0 
!Phi angle

assign (resid  11 and name C  ) (resid  12 and name N )
       (resid  12 and name CA ) (resid  12 and name C ) 1.0 -60.0  40.0 2

assign (resid  12 and name C  ) (resid  13 and name N )
       (resid  13 and name CA ) (resid  13 and name C ) 1.0 -60.0  40.0 2

assign (resid  13 and name C  ) (resid  14 and name N )
       (resid  14 and name CA ) (resid  14 and name C ) 1.0 -60.0  40.0 2

assign (resid  14 and name C  ) (resid  15 and name N )
       (resid  15 and name CA ) (resid  15 and name C ) 1.0 -60.0  40.0 2

assign (resid  15 and name C  ) (resid  16 and name N )
       (resid  16 and name CA ) (resid  16 and name C ) 1.0 -90.0  40.0 2

assign (resid  21 and name C  ) (resid  22 and name N )
       (resid  22 and name CA ) (resid  22 and name C ) 1.0 -60.0  40.0 2

assign (resid  22 and name C  ) (resid  23 and name N )
       (resid  23 and name CA ) (resid  23 and name C ) 1.0 -60.0  40.0 2

assign (resid  23 and name C  ) (resid  24 and name N )
       (resid  24 and name CA ) (resid  24 and name C ) 1.0 -60.0  40.0 2

assign (resid  24 and name C  ) (resid  25 and name N )
       (resid  25 and name CA ) (resid  25 and name C ) 1.0 -60.0  40.0 2

assign (resid  26 and name C  ) (resid  27 and name N )
       (resid  27 and name CA ) (resid  27 and name C ) 1.0 -70.0  40.0 2

assign (resid  27 and name C  ) (resid  28 and name N )
       (resid  28 and name CA ) (resid  28 and name C ) 1.0 -60.0  40.0 2

assign (resid  28 and name C  ) (resid  29 and name N )
       (resid  29 and name CA ) (resid  29 and name C ) 1.0 -85.0  40.0 2

assign (resid  29 and name C  ) (resid  30 and name N )
       (resid  30 and name CA ) (resid  30 and name C ) 1.0 -120.0  40.0 2

assign (resid  30 and name C  ) (resid  31 and name N )
       (resid  31 and name CA ) (resid  31 and name C ) 1.0 -55.0  40.0 2

assign (resid  31 and name C  ) (resid  32 and name N )
       (resid  32 and name CA ) (resid  32 and name C ) 1.0 -60.0  40.0 2

assign (resid  32 and name C  ) (resid  33 and name N )
       (resid  33 and name CA ) (resid  33 and name C ) 1.0 -60.0  40.0 2

assign (resid  33 and name C  ) (resid  34 and name N )
       (resid  34 and name CA ) (resid  34 and name C ) 1.0 -90.0  40.0 2


!Psi angle


assign (resid  12 and name N  ) (resid  12 and name CA )
       (resid  12 and name C  ) (resid  13 and name N ) 1.0 -30.0  40.0 2

assign (resid  13 and name N  ) (resid  13 and name CA )
       (resid  13 and name C  ) (resid  14 and name N ) 1.0 -40.0  40.0 2

assign (resid  14 and name N  ) (resid  14 and name CA )
       (resid  14 and name C  ) (resid  15 and name N ) 1.0 -40.0  40.0 2

assign (resid  15 and name N  ) (resid  15 and name CA )
       (resid  15 and name C  ) (resid  16 and name N ) 1.0 -40.0  40.0 2

assign (resid  16 and name N  ) (resid  16 and name CA )
       (resid  16 and name C  ) (resid  17 and name N ) 1.0   0.0  40.0 2

assign (resid  22 and name N  ) (resid  22 and name CA )
       (resid  22 and name C  ) (resid  23 and name N ) 1.0  -40.0  40.0 2

assign (resid  23 and name N  ) (resid  23 and name CA )
       (resid  23 and name C  ) (resid  24 and name N ) 1.0  -40.0  40.0 2

assign (resid  24 and name N  ) (resid  24 and name CA )
       (resid  24 and name C  ) (resid  25 and name N ) 1.0  -40.0  40.0 2

assign (resid  25 and name N  ) (resid  25 and name CA )
       (resid  25 and name C  ) (resid  26 and name N ) 1.0  -40.0  40.0 2

assign (resid  27 and name N  ) (resid  27 and name CA )
       (resid  27 and name C  ) (resid  28 and name N ) 1.0  -30.0  40.0 2

assign (resid  28 and name N  ) (resid  28 and name CA )
       (resid  28 and name C  ) (resid  29 and name N ) 1.0  -40.0  40.0 2

assign (resid  29 and name N  ) (resid  29 and name CA )
       (resid  29 and name C  ) (resid  30 and name N ) 1.0  -15.0  40.0 2

assign (resid  30 and name N  ) (resid  30 and name CA )
       (resid  30 and name C  ) (resid  31 and name N ) 1.0   90.0  40.0 2

assign (resid  31 and name N  ) (resid  31 and name CA )
       (resid  31 and name C  ) (resid  32 and name N ) 1.0  -40.0  40.0 2

assign (resid  32 and name N  ) (resid  32 and name CA )
       (resid  32 and name C  ) (resid  33 and name N ) 1.0  -40.0  40.0 2

assign (resid  33 and name N  ) (resid  33 and name CA )
       (resid  33 and name C  ) (resid  34 and name N ) 1.0  -40.0  40.0 2

assign (resid  34 and name N  ) (resid  34 and name CA )
       (resid  34 and name C  ) (resid  35 and name N ) 1.0  10.0  40.0 2

!Chi1 angle

assign (resid  36 and name HA  ) (resid  36 and name CA )
       (resid  36 and name CB  ) (resid  36 and name HB1 ) 1.0 -60.0 20.0 2
       
assign (resid  5 and name HA  ) (resid  5 and name CA )
       (resid  5 and name CB  ) (resid  5 and name HB1 ) 1.0  60.0  20.0 2
       
                    
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H        TYR   1   4.826  13.357   0.078
    2    HA   TYR   1           HA       TYR   1   3.438  11.566   0.753
    3    HB2  TYR   1           2HB      TYR   1   1.730  14.028   0.852
    4    HB3  TYR   1           1HB      TYR   1   0.955  12.460   1.081
    5    HD1  TYR   1           2HD      TYR   1   2.931  10.879   2.490
    6    HD2  TYR   1           1HD      TYR   1   1.949  15.035   2.958
    7    HE1  TYR   1           2HE      TYR   1   3.757  10.812   4.826
    8    HE2  TYR   1           1HE      TYR   1   2.779  14.968   5.293
    9    HH   TYR   1           HH       TYR   1   3.705  11.945   6.825
   10    H    GLY   2           H        GLY   2   0.879  10.841   0.014
   11    HA2  GLY   2           2HA      GLY   2  -0.306  11.134  -2.350
   12    HA3  GLY   2           1HA      GLY   2   1.216  10.438  -2.905
   13    H    CYS   3           H        CYS   3   1.001   8.989  -0.059
   14    HA   CYS   3           HA       CYS   3   0.498   6.400  -0.824
   15    HB2  CYS   3           2HB      CYS   3   0.868   7.738   1.514
   16    HB3  CYS   3           1HB      CYS   3  -0.816   7.243   1.705
   17    H    LEU   4           H        LEU   4  -1.162   5.944  -2.306
   18    HA   LEU   4           HA       LEU   4  -3.930   6.112  -1.290
   19    HB2  LEU   4           2HB      LEU   4  -4.127   8.135  -2.342
   20    HB3  LEU   4           1HB      LEU   4  -2.674   7.877  -3.298
   21    HG   LEU   4           HG       LEU   4  -4.320   6.118  -4.531
   22   HD11  LEU   4          1HD1      LEU   4  -6.223   6.684  -3.051
   23   HD12  LEU   4          2HD1      LEU   4  -6.556   7.119  -4.727
   24   HD13  LEU   4          3HD1      LEU   4  -6.106   8.367  -3.564
   25   HD21  LEU   4          3HD2      LEU   4  -4.906   8.175  -6.035
   26   HD22  LEU   4          1HD2      LEU   4  -3.220   7.684  -5.864
   27   HD23  LEU   4          2HD2      LEU   4  -3.840   9.051  -4.938
   28    H    ASP   5           H        ASP   5  -4.755   4.126  -1.698
   29    HA   ASP   5           HA       ASP   5  -3.618   2.473  -3.893
   30    HB2  ASP   5           2HB      ASP   5  -4.732   0.669  -2.693
   31    HB3  ASP   5           1HB      ASP   5  -3.879   1.674  -1.520
   32    H    ARG   6           H        ARG   6  -5.519   1.020  -4.948
   33    HA   ARG   6           HA       ARG   6  -7.929   2.704  -5.462
   34    HB2  ARG   6           2HB      ARG   6  -7.487   2.199  -7.949
   35    HB3  ARG   6           1HB      ARG   6  -6.434   3.390  -7.184
   36    HG2  ARG   6           2HG      ARG   6  -4.616   1.938  -7.115
   37    HG3  ARG   6           1HG      ARG   6  -5.636   0.498  -7.144
   38    HD2  ARG   6           2HD      ARG   6  -5.787   2.280  -9.532
   39    HD3  ARG   6           1HD      ARG   6  -4.307   1.322  -9.333
   40    HE   ARG   6           HE       ARG   6  -6.542  -0.359  -8.780
   41   HH11  ARG   6          1HH2      ARG   6  -5.036   1.359 -11.368
   42   HH12  ARG   6          2HH2      ARG   6  -5.542   0.232 -12.582
   43   HH21  ARG   6          1HH1      ARG   6  -7.210  -1.834 -10.355
   44   HH22  ARG   6          2HH1      ARG   6  -6.772  -1.572 -12.010
   45    H    ILE   7           H        ILE   7  -7.130  -0.097  -4.275
   46    HA   ILE   7           HA       ILE   7  -9.354  -1.544  -5.634
   47    HB   ILE   7           HB       ILE   7  -7.849  -3.563  -5.727
   48   HG12  ILE   7          2HG1      ILE   7  -5.901  -1.492  -4.718
   49   HG13  ILE   7          1HG1      ILE   7  -6.161  -3.138  -4.142
   50   HG21  ILE   7          1HG2      ILE   7  -8.154  -1.554  -7.522
   51   HG22  ILE   7          2HG2      ILE   7  -7.173  -2.985  -7.837
   52   HG23  ILE   7          3HG2      ILE   7  -6.406  -1.493  -7.294
   53   HD11  ILE   7          3HD1      ILE   7  -4.042  -2.882  -5.440
   54   HD12  ILE   7          1HD1      ILE   7  -5.001  -2.445  -6.854
   55   HD13  ILE   7          2HD1      ILE   7  -5.149  -4.056  -6.153
   56    H    PHE   8           H        PHE   8  -9.930  -3.566  -4.321
   57    HA   PHE   8           HA       PHE   8  -9.554  -2.985  -1.405
   58    HB2  PHE   8           2HB      PHE   8 -11.823  -3.226  -2.997
   59    HB3  PHE   8           1HB      PHE   8 -11.719  -4.796  -2.190
   60    HD1  PHE   8           1HD      PHE   8 -10.298  -3.846   0.331
   61    HD2  PHE   8           2HD      PHE   8 -13.692  -2.302  -1.801
   62    HE1  PHE   8           1HE      PHE   8 -11.154  -2.833   2.427
   63    HE2  PHE   8           2HE      PHE   8 -14.548  -1.290   0.295
   64    HZ   PHE   8           HZ       PHE   8 -13.280  -1.557   2.409
   65    H    VAL   9           H        VAL   9  -8.235  -4.924  -3.648
   66    HA   VAL   9           HA       VAL   9  -8.471  -7.505  -2.224
   67    HB   VAL   9           HB       VAL   9  -8.440  -7.170  -4.736
   68   HG11  VAL   9          1HG1      VAL   9  -6.629  -5.395  -4.592
   69   HG12  VAL   9          2HG1      VAL   9  -6.366  -6.632  -5.821
   70   HG13  VAL   9          3HG1      VAL   9  -5.482  -6.702  -4.297
   71   HG21  VAL   9          3HG2      VAL   9  -6.724  -9.011  -3.167
   72   HG22  VAL   9          1HG2      VAL   9  -6.364  -8.922  -4.890
   73   HG23  VAL   9          2HG2      VAL   9  -7.979  -9.378  -4.350
   74    H    CYS  10           H        CYS  10  -7.130  -5.101  -0.952
   75    HA   CYS  10           HA       CYS  10  -4.267  -5.770  -0.920
   76    HB2  CYS  10           2HB      CYS  10  -5.923  -3.865   0.767
   77    HB3  CYS  10           1HB      CYS  10  -4.165  -3.837   0.578
   78    H    THR  11           H        THR  11  -6.956  -5.847   1.467
   79    HA   THR  11           HA       THR  11  -5.675  -6.836   3.717
   80    HB   THR  11           HB       THR  11  -8.247  -8.013   2.650
   81    HG1  THR  11           1HG      THR  11  -9.235  -6.135   3.038
   82   HG21  THR  11          3HG2      THR  11  -8.154  -8.864   4.749
   83   HG22  THR  11          1HG2      THR  11  -8.611  -7.239   5.260
   84   HG23  THR  11          2HG2      THR  11  -6.913  -7.716   5.255
   85    H    SER  12           H        SER  12  -6.665  -8.704   0.848
   86    HA   SER  12           HA       SER  12  -5.795 -11.270   1.878
   87    HB2  SER  12           2HB      SER  12  -5.976 -10.528  -1.033
   88    HB3  SER  12           1HB      SER  12  -6.469 -12.023  -0.243
   89    HG   SER  12           HG       SER  12  -8.347 -11.002  -0.497
   90    H    TRP  13           H        TRP  13  -4.315  -8.756  -0.155
   91    HA   TRP  13           HA       TRP  13  -1.913 -10.242  -0.780
   92    HB2  TRP  13           2HB      TRP  13  -2.704  -7.317  -0.766
   93    HB3  TRP  13           1HB      TRP  13  -1.140  -7.877  -1.361
   94    HD1  TRP  13           HD       TRP  13  -3.089 -10.626  -2.326
   95    HE1  TRP  13           1HE      TRP  13  -4.071 -10.402  -4.701
   96    HE3  TRP  13           3HE      TRP  13  -2.518  -5.608  -3.040
   97    HZ2  TRP  13           2HZ      TRP  13  -4.550  -8.353  -6.648
   98    HZ3  TRP  13           3HZ      TRP  13  -3.240  -4.547  -5.154
   99    HH2  TRP  13           HH       TRP  13  -4.259  -5.905  -6.958
  100    H    ALA  14           H        ALA  14  -2.738  -7.794   1.678
  101    HA   ALA  14           HA       ALA  14  -0.237  -7.391   2.880
  102    HB1  ALA  14           1HB      ALA  14  -2.170  -6.118   3.507
  103    HB2  ALA  14           2HB      ALA  14  -1.697  -7.016   4.949
  104    HB3  ALA  14           3HB      ALA  14  -3.056  -7.570   3.971
  105    H    ARG  15           H        ARG  15  -2.571 -10.031   3.457
  106    HA   ARG  15           HA       ARG  15  -0.770 -11.303   5.422
  107    HB2  ARG  15           2HB      ARG  15  -2.642 -12.850   5.665
  108    HB3  ARG  15           1HB      ARG  15  -3.263 -11.199   5.635
  109    HG2  ARG  15           2HG      ARG  15  -3.915 -11.414   3.318
  110    HG3  ARG  15           1HG      ARG  15  -3.114 -12.983   3.189
  111    HD2  ARG  15           2HD      ARG  15  -5.652 -13.075   3.535
  112    HD3  ARG  15           1HD      ARG  15  -4.697 -13.996   4.715
  113    HE   ARG  15           HE       ARG  15  -5.179 -11.199   5.464
  114   HH11  ARG  15          1HH2      ARG  15  -6.255 -14.483   5.584
  115   HH12  ARG  15          2HH2      ARG  15  -7.149 -14.268   7.050
  116   HH21  ARG  15          1HH1      ARG  15  -6.343 -10.913   7.368
  117   HH22  ARG  15          2HH1      ARG  15  -7.202 -12.250   8.057
  118    H    LYS  16           H        LYS  16  -0.840 -11.168   2.107
  119    HA   LYS  16           HA       LYS  16  -0.105 -14.031   1.701
  120    HB2  LYS  16           2HB      LYS  16  -1.815 -12.832   0.287
  121    HB3  LYS  16           1HB      LYS  16  -0.522 -11.779  -0.289
  122    HG2  LYS  16           2HG      LYS  16  -0.505 -13.411  -1.942
  123    HG3  LYS  16           1HG      LYS  16   0.679 -14.079  -0.819
  124    HD2  LYS  16           2HD      LYS  16  -1.380 -15.243   0.284
  125    HD3  LYS  16           1HD      LYS  16  -2.182 -14.907  -1.251
  126    HE2  LYS  16           2HE      LYS  16   0.185 -15.937  -2.145
  127    HE3  LYS  16           1HE      LYS  16  -0.039 -16.858  -0.644
  128    HZ1  LYS  16           3HZ      LYS  16  -2.188 -17.517  -1.301
  129    HZ2  LYS  16           1HZ      LYS  16  -1.211 -17.774  -2.662
  130    HZ3  LYS  16           2HZ      LYS  16  -2.228 -16.415  -2.594
  131    H    GLY  17           H        GLY  17   1.431 -11.172   2.474
  132    HA2  GLY  17           2HA      GLY  17   3.808 -10.898   2.634
  133    HA3  GLY  17           1HA      GLY  17   4.010 -12.215   1.471
  134    H    PHE  18           H        PHE  18   1.631 -10.027   0.471
  135    HA   PHE  18           HA       PHE  18   2.984  -9.232  -1.897
  136    HB2  PHE  18           2HB      PHE  18   0.476  -8.921  -0.607
  137    HB3  PHE  18           1HB      PHE  18   1.022  -7.303  -1.046
  138    HD1  PHE  18           1HD      PHE  18   1.698  -6.828  -3.432
  139    HD2  PHE  18           2HD      PHE  18  -0.254 -10.471  -2.264
  140    HE1  PHE  18           1HE      PHE  18   1.094  -7.262  -5.798
  141    HE2  PHE  18           2HE      PHE  18  -0.858 -10.905  -4.629
  142    HZ   PHE  18           HZ       PHE  18  -0.184  -9.301  -6.396
  143    H    CYS  19           H        CYS  19   3.179  -7.970   1.340
  144    HA   CYS  19           HA       CYS  19   4.321  -5.387   0.440
  145    HB2  CYS  19           2HB      CYS  19   4.114  -6.465   3.261
  146    HB3  CYS  19           1HB      CYS  19   4.119  -4.783   2.738
  147    H    ASP  20           H        ASP  20   5.640  -8.180   0.116
  148    HA   ASP  20           HA       ASP  20   8.308  -7.320   1.118
  149    HB2  ASP  20           2HB      ASP  20   6.645  -9.623   2.010
  150    HB3  ASP  20           1HB      ASP  20   8.372  -9.933   1.798
  151    H    VAL  21           H        VAL  21   6.443  -9.722  -0.764
  152    HA   VAL  21           HA       VAL  21   8.874 -10.214  -2.434
  153    HB   VAL  21           HB       VAL  21   7.733 -12.262  -3.057
  154   HG11  VAL  21          1HG1      VAL  21   8.784 -12.538  -0.956
  155   HG12  VAL  21          2HG1      VAL  21   7.148 -13.138  -0.691
  156   HG13  VAL  21          3HG1      VAL  21   7.598 -11.527  -0.132
  157   HG21  VAL  21          3HG2      VAL  21   5.428 -12.715  -2.205
  158   HG22  VAL  21          1HG2      VAL  21   5.479 -11.359  -3.329
  159   HG23  VAL  21          2HG2      VAL  21   5.357 -11.062  -1.596
  160    H    ARG  22           H        ARG  22   5.409  -9.381  -2.680
  161    HA   ARG  22           HA       ARG  22   5.798  -8.713  -5.561
  162    HB2  ARG  22           2HB      ARG  22   3.680  -9.712  -3.834
  163    HB3  ARG  22           1HB      ARG  22   3.127  -8.339  -4.791
  164    HG2  ARG  22           2HG      ARG  22   2.834 -10.573  -5.929
  165    HG3  ARG  22           1HG      ARG  22   3.792  -9.413  -6.849
  166    HD2  ARG  22           2HD      ARG  22   5.873 -10.474  -6.092
  167    HD3  ARG  22           1HD      ARG  22   4.946 -11.603  -5.083
  168    HE   ARG  22           HE       ARG  22   5.195 -11.728  -7.990
  169   HH11  ARG  22          1HH2      ARG  22   3.286 -12.450  -5.202
  170   HH12  ARG  22          2HH2      ARG  22   2.439 -13.752  -5.964
  171   HH21  ARG  22          1HH1      ARG  22   4.091 -13.423  -8.989
  172   HH22  ARG  22          2HH1      ARG  22   2.891 -14.301  -8.101
  173    H    GLN  23           H        GLN  23   6.086  -7.167  -2.641
  174    HA   GLN  23           HA       GLN  23   4.662  -4.807  -2.610
  175    HB2  GLN  23           2HB      GLN  23   6.775  -3.817  -1.684
  176    HB3  GLN  23           1HB      GLN  23   6.411  -5.411  -1.011
  177    HG2  GLN  23           2HG      GLN  23   7.964  -6.448  -2.626
  178    HG3  GLN  23           1HG      GLN  23   8.328  -4.858  -3.298
  179   HE21  GLN  23          1HE2      GLN  23   9.890  -3.587  -2.216
  180   HE22  GLN  23          2HE2      GLN  23  10.628  -4.039  -0.755
  181    H    ARG  24           H        ARG  24   7.383  -5.573  -4.781
  182    HA   ARG  24           HA       ARG  24   7.945  -3.160  -6.002
  183    HB2  ARG  24           2HB      ARG  24   8.955  -5.341  -6.544
  184    HB3  ARG  24           1HB      ARG  24   7.451  -5.856  -7.309
  185    HG2  ARG  24           2HG      ARG  24   8.241  -3.309  -8.392
  186    HG3  ARG  24           1HG      ARG  24   9.594  -4.435  -8.502
  187    HD2  ARG  24           2HD      ARG  24   7.728  -6.110  -9.371
  188    HD3  ARG  24           1HD      ARG  24   6.892  -4.601  -9.788
  189    HE   ARG  24           HE       ARG  24   9.729  -4.703 -10.561
  190   HH11  ARG  24          1HH2      ARG  24   6.425  -5.242 -11.435
  191   HH12  ARG  24          2HH2      ARG  24   6.715  -5.065 -13.131
  192   HH21  ARG  24          1HH1      ARG  24  10.111  -4.476 -12.770
  193   HH22  ARG  24          2HH1      ARG  24   8.796  -4.633 -13.886
  194    H    LEU  25           H        LEU  25   5.010  -5.092  -6.384
  195    HA   LEU  25           HA       LEU  25   3.965  -3.175  -8.413
  196    HB2  LEU  25           2HB      LEU  25   3.750  -5.496  -8.978
  197    HB3  LEU  25           1HB      LEU  25   3.141  -5.897  -7.372
  198    HG   LEU  25           HG       LEU  25   1.411  -3.903  -8.356
  199   HD11  LEU  25          1HD1      LEU  25   1.115  -4.222 -10.574
  200   HD12  LEU  25          2HD1      LEU  25   1.155  -5.976 -10.400
  201   HD13  LEU  25          3HD1      LEU  25   2.661  -5.069 -10.549
  202   HD21  LEU  25          3HD2      LEU  25   1.361  -6.748  -7.592
  203   HD22  LEU  25          1HD2      LEU  25   0.078  -6.286  -8.711
  204   HD23  LEU  25          2HD2      LEU  25   0.243  -5.450  -7.168
  205    H    MET  26           H        MET  26   3.422  -4.337  -5.115
  206    HA   MET  26           HA       MET  26   0.879  -3.003  -4.722
  207    HB2  MET  26           2HB      MET  26   2.099  -4.966  -3.469
  208    HB3  MET  26           1HB      MET  26   2.850  -3.662  -2.547
  209    HG2  MET  26           2HG      MET  26   0.994  -3.517  -1.287
  210    HG3  MET  26           1HG      MET  26   0.085  -3.050  -2.724
  211    HE1  MET  26           3HE      MET  26  -0.342  -5.928   0.075
  212    HE2  MET  26           1HE      MET  26  -1.894  -5.427  -0.608
  213    HE3  MET  26           2HE      MET  26  -0.667  -4.222  -0.222
  214    H    LYS  27           H        LYS  27   4.206  -1.977  -4.609
  215    HA   LYS  27           HA       LYS  27   4.281   0.147  -2.827
  216    HB2  LYS  27           2HB      LYS  27   5.564  -0.692  -5.289
  217    HB3  LYS  27           1HB      LYS  27   5.467   1.067  -5.212
  218    HG2  LYS  27           2HG      LYS  27   6.265  -0.231  -2.682
  219    HG3  LYS  27           1HG      LYS  27   7.422  -0.415  -4.001
  220    HD2  LYS  27           2HD      LYS  27   7.643   1.938  -4.276
  221    HD3  LYS  27           1HD      LYS  27   6.219   2.264  -3.289
  222    HE2  LYS  27           2HE      LYS  27   7.522   1.111  -1.365
  223    HE3  LYS  27           1HE      LYS  27   8.953   1.350  -2.386
  224    HZ1  LYS  27           3HZ      LYS  27   8.970   3.432  -1.626
  225    HZ2  LYS  27           1HZ      LYS  27   7.431   3.290  -0.933
  226    HZ3  LYS  27           2HZ      LYS  27   7.586   3.708  -2.572
  227    H    ARG  28           H        ARG  28   3.099   0.360  -6.214
  228    HA   ARG  28           HA       ARG  28   1.860   2.990  -5.564
  229    HB2  ARG  28           2HB      ARG  28   1.869   3.306  -7.943
  230    HB3  ARG  28           1HB      ARG  28   3.412   2.555  -7.537
  231    HG2  ARG  28           2HG      ARG  28   1.723   0.382  -7.930
  232    HG3  ARG  28           1HG      ARG  28   1.227   1.523  -9.182
  233    HD2  ARG  28           2HD      ARG  28   4.153   1.330  -8.879
  234    HD3  ARG  28           1HD      ARG  28   3.385  -0.180  -9.408
  235    HE   ARG  28           HE       ARG  28   3.552   2.250 -10.978
  236   HH11  ARG  28          1HH2      ARG  28   1.587  -0.471 -10.163
  237   HH12  ARG  28          2HH2      ARG  28   0.726  -0.459 -11.665
  238   HH21  ARG  28          1HH1      ARG  28   2.429   2.268 -12.943
  239   HH22  ARG  28          2HH1      ARG  28   1.200   1.082 -13.232
  240    H    LEU  29           H        LEU  29   0.990  -0.329  -6.057
  241    HA   LEU  29           HA       LEU  29  -1.720   0.163  -7.007
  242    HB2  LEU  29           2HB      LEU  29   0.050  -2.071  -6.274
  243    HB3  LEU  29           1HB      LEU  29  -1.652  -2.368  -5.905
  244    HG   LEU  29           HG       LEU  29  -0.492  -1.563  -8.588
  245   HD11  LEU  29          1HD1      LEU  29  -2.154  -3.872  -8.673
  246   HD12  LEU  29          2HD1      LEU  29  -1.034  -4.082  -7.326
  247   HD13  LEU  29          3HD1      LEU  29  -0.414  -3.781  -8.950
  248   HD21  LEU  29          3HD2      LEU  29  -3.213  -1.374  -7.456
  249   HD22  LEU  29          1HD2      LEU  29  -3.127  -2.194  -9.015
  250   HD23  LEU  29          2HD2      LEU  29  -2.515  -0.549  -8.848
  251    H    CYS  30           H        CYS  30  -0.440  -1.025  -3.860
  252    HA   CYS  30           HA       CYS  30  -2.707   0.377  -2.511
  253    HB2  CYS  30           2HB      CYS  30  -3.053  -2.145  -3.141
  254    HB3  CYS  30           1HB      CYS  30  -1.966  -2.445  -1.781
  255    HA   PRO  31           HA       PRO  31   1.389   0.722  -0.334
  256    HB2  PRO  31           2HB      PRO  31   1.385   3.457  -0.162
  257    HB3  PRO  31           1HB      PRO  31   2.051   2.579  -1.557
  258    HG2  PRO  31           2HG      PRO  31  -0.575   3.950  -1.258
  259    HG3  PRO  31           1HG      PRO  31   0.505   3.869  -2.661
  260    HD2  PRO  31           2HD      PRO  31  -1.752   2.352  -2.399
  261    HD3  PRO  31           1HD      PRO  31  -0.335   1.858  -3.355
  262    H    ARG  32           H        ARG  32  -1.873   1.724   0.128
  263    HA   ARG  32           HA       ARG  32  -1.697   2.899   2.746
  264    HB2  ARG  32           2HB      ARG  32  -3.853   1.452   1.184
  265    HB3  ARG  32           1HB      ARG  32  -4.160   2.221   2.741
  266    HG2  ARG  32           2HG      ARG  32  -3.155   4.346   1.726
  267    HG3  ARG  32           1HG      ARG  32  -3.279   3.534   0.166
  268    HD2  ARG  32           2HD      ARG  32  -5.303   4.825   0.429
  269    HD3  ARG  32           1HD      ARG  32  -5.754   3.135   0.731
  270    HE   ARG  32           HE       ARG  32  -4.935   4.147   3.214
  271   HH11  ARG  32          1HH2      ARG  32  -7.308   4.854   0.803
  272   HH12  ARG  32          2HH2      ARG  32  -8.458   5.479   1.936
  273   HH21  ARG  32          1HH1      ARG  32  -6.427   4.965   4.697
  274   HH22  ARG  32          2HH1      ARG  32  -7.962   5.543   4.136
  275    H    SER  33           H        SER  33  -2.330  -0.444   1.646
  276    HA   SER  33           HA       SER  33  -2.584  -1.531   4.324
  277    HB2  SER  33           2HB      SER  33  -3.638  -2.654   2.501
  278    HB3  SER  33           1HB      SER  33  -2.155  -2.642   1.543
  279    HG   SER  33           HG       SER  33  -2.647  -4.078   3.950
  280    H    CYS  34           H        CYS  34  -0.079  -2.289   1.867
  281    HA   CYS  34           HA       CYS  34   1.807  -3.336   3.739
  282    HB2  CYS  34           2HB      CYS  34   2.166  -2.058   1.005
  283    HB3  CYS  34           1HB      CYS  34   3.374  -3.054   1.817
  284    H    ASP  35           H        ASP  35   0.851  -0.108   3.114
  285    HA   ASP  35           HA       ASP  35   1.595   1.911   4.108
  286    HB2  ASP  35           2HB      ASP  35   2.183  -0.040   5.871
  287    HB3  ASP  35           1HB      ASP  35   3.824   0.489   5.483
  288    H    PHE  36           H        PHE  36   2.447   1.568   1.565
  289    HA   PHE  36           HA       PHE  36   5.407   1.845   1.495
  290    HB2  PHE  36           2HB      PHE  36   3.174   1.446  -0.495
  291    HB3  PHE  36           1HB      PHE  36   4.785   1.929  -1.039
  292    HD1  PHE  36           2HD      PHE  36   6.714   0.533   0.400
  293    HD2  PHE  36           1HD      PHE  36   2.785  -0.835  -0.668
  294    HE1  PHE  36           2HE      PHE  36   7.483  -1.819   0.580
  295    HE2  PHE  36           1HE      PHE  36   3.551  -3.182  -0.489
  296    HZ   PHE  36           HZ       PHE  36   5.903  -3.678   0.136
  297    H    CYS  37           H        CYS  37   3.282   3.925   2.479
  298    HA   CYS  37           HA       CYS  37   2.987   6.127   0.813
  299    HB2  CYS  37           2HB      CYS  37   3.899   6.162   3.709
  300    HB3  CYS  37           1HB      CYS  37   3.005   7.438   2.883
  301    HXT  CYS  37           2H       CYS  37   6.868   6.763   2.075
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1   1.141  10.774   4.307
    2    HA   TYR   1           HA       TYR   1  -1.472  10.562   3.728
    3    HB2  TYR   1           2HB      TYR   1  -0.260  12.235   5.229
    4    HB3  TYR   1           1HB      TYR   1  -0.138  13.280   3.814
    5    HD1  TYR   1           2HD      TYR   1  -2.816  11.091   5.290
    6    HD2  TYR   1           1HD      TYR   1  -1.733  14.969   3.791
    7    HE1  TYR   1           2HE      TYR   1  -5.135  11.887   5.667
    8    HE2  TYR   1           1HE      TYR   1  -4.050  15.762   4.169
    9    HH   TYR   1           HH       TYR   1  -6.623  13.568   5.049
   10    H    GLY   2           H        GLY   2   0.596  10.779   1.247
   11    HA2  GLY   2           2HA      GLY   2  -1.303  12.324  -0.476
   12    HA3  GLY   2           1HA      GLY   2   0.426  12.194  -0.806
   13    H    CYS   3           H        CYS   3   0.936   9.529  -0.530
   14    HA   CYS   3           HA       CYS   3  -0.113   8.414  -2.971
   15    HB2  CYS   3           2HB      CYS   3   1.550   7.477  -0.643
   16    HB3  CYS   3           1HB      CYS   3   1.056   6.332  -1.890
   17    H    LEU   4           H        LEU   4  -1.436   6.470  -3.152
   18    HA   LEU   4           HA       LEU   4  -2.914   5.474  -0.826
   19    HB2  LEU   4           2HB      LEU   4  -5.103   6.308  -1.711
   20    HB3  LEU   4           1HB      LEU   4  -4.022   7.620  -1.242
   21    HG   LEU   4           HG       LEU   4  -3.517   6.883  -3.986
   22   HD11  LEU   4          1HD1      LEU   4  -5.748   6.124  -4.242
   23   HD12  LEU   4          2HD1      LEU   4  -5.792   7.799  -4.792
   24   HD13  LEU   4          3HD1      LEU   4  -6.384   7.384  -3.183
   25   HD21  LEU   4          3HD2      LEU   4  -4.878   9.435  -3.402
   26   HD22  LEU   4          1HD2      LEU   4  -3.315   9.144  -4.164
   27   HD23  LEU   4          2HD2      LEU   4  -3.453   9.137  -2.406
   28    H    ASP   5           H        ASP   5  -4.572   3.821  -1.579
   29    HA   ASP   5           HA       ASP   5  -3.456   2.313  -3.865
   30    HB2  ASP   5           2HB      ASP   5  -4.622   0.475  -2.849
   31    HB3  ASP   5           1HB      ASP   5  -3.931   1.414  -1.522
   32    H    ARG   6           H        ARG   6  -5.299   1.068  -5.132
   33    HA   ARG   6           HA       ARG   6  -7.726   2.706  -5.549
   34    HB2  ARG   6           2HB      ARG   6  -7.065   2.710  -8.075
   35    HB3  ARG   6           1HB      ARG   6  -6.307   3.884  -7.004
   36    HG2  ARG   6           2HG      ARG   6  -4.465   3.027  -8.156
   37    HG3  ARG   6           1HG      ARG   6  -4.469   2.021  -6.713
   38    HD2  ARG   6           2HD      ARG   6  -4.254   0.483  -8.529
   39    HD3  ARG   6           1HD      ARG   6  -5.968   0.404  -8.083
   40    HE   ARG   6           HE       ARG   6  -5.691   2.515  -9.949
   41   HH11  ARG   6          1HH2      ARG   6  -5.310  -0.913  -9.748
   42   HH12  ARG   6          2HH2      ARG   6  -5.716  -1.183 -11.410
   43   HH21  ARG   6          1HH1      ARG   6  -6.224   2.171 -12.114
   44   HH22  ARG   6          2HH1      ARG   6  -6.235   0.559 -12.747
   45    H    ILE   7           H        ILE   7  -7.065  -0.091  -4.703
   46    HA   ILE   7           HA       ILE   7  -8.707  -1.491  -6.789
   47    HB   ILE   7           HB       ILE   7  -7.235  -3.408  -6.629
   48   HG12  ILE   7          2HG1      ILE   7  -6.066  -1.851  -4.320
   49   HG13  ILE   7          1HG1      ILE   7  -6.630  -3.522  -4.351
   50   HG21  ILE   7          1HG2      ILE   7  -5.407  -1.002  -6.726
   51   HG22  ILE   7          2HG2      ILE   7  -6.564  -1.352  -8.012
   52   HG23  ILE   7          3HG2      ILE   7  -5.283  -2.505  -7.641
   53   HD11  ILE   7          3HD1      ILE   7  -4.198  -2.490  -5.837
   54   HD12  ILE   7          1HD1      ILE   7  -4.747  -4.165  -5.773
   55   HD13  ILE   7          2HD1      ILE   7  -4.150  -3.376  -4.314
   56    H    PHE   8           H        PHE   8  -8.871  -3.965  -5.405
   57    HA   PHE   8           HA       PHE   8  -9.856  -3.266  -2.684
   58    HB2  PHE   8           2HB      PHE   8 -12.001  -4.559  -3.345
   59    HB3  PHE   8           1HB      PHE   8 -11.819  -2.908  -3.930
   60    HD1  PHE   8           1HD      PHE   8  -9.830  -5.690  -5.377
   61    HD2  PHE   8           2HD      PHE   8 -13.336  -3.239  -5.800
   62    HE1  PHE   8           1HE      PHE   8 -10.106  -6.486  -7.698
   63    HE2  PHE   8           2HE      PHE   8 -13.606  -4.039  -8.128
   64    HZ   PHE   8           HZ       PHE   8 -11.990  -5.662  -9.078
   65    H    VAL   9           H        VAL   9  -7.653  -4.743  -2.826
   66    HA   VAL   9           HA       VAL   9  -8.515  -7.378  -1.871
   67    HB   VAL   9           HB       VAL   9  -8.525  -7.516  -4.378
   68   HG11  VAL   9          1HG1      VAL   9  -6.698  -5.897  -4.757
   69   HG12  VAL   9          2HG1      VAL   9  -6.365  -7.438  -5.548
   70   HG13  VAL   9          3HG1      VAL   9  -5.555  -7.028  -4.035
   71   HG21  VAL   9          3HG2      VAL   9  -7.277  -9.595  -4.502
   72   HG22  VAL   9          1HG2      VAL   9  -8.023  -9.494  -2.907
   73   HG23  VAL   9          2HG2      VAL   9  -6.305  -9.144  -3.101
   74    H    CYS  10           H        CYS  10  -6.861  -4.915  -1.118
   75    HA   CYS  10           HA       CYS  10  -4.085  -5.692  -0.971
   76    HB2  CYS  10           2HB      CYS  10  -5.722  -3.797   0.751
   77    HB3  CYS  10           1HB      CYS  10  -3.967  -3.773   0.556
   78    H    THR  11           H        THR  11  -6.791  -5.881   1.369
   79    HA   THR  11           HA       THR  11  -5.452  -6.857   3.622
   80    HB   THR  11           HB       THR  11  -7.972  -6.324   3.037
   81    HG1  THR  11           1HG      THR  11  -8.280  -6.925   5.021
   82   HG21  THR  11          3HG2      THR  11  -9.345  -8.349   2.812
   83   HG22  THR  11          1HG2      THR  11  -7.890  -9.342   2.754
   84   HG23  THR  11          2HG2      THR  11  -8.235  -8.205   1.451
   85    H    SER  12           H        SER  12  -6.560  -8.662   0.767
   86    HA   SER  12           HA       SER  12  -5.729 -11.268   1.693
   87    HB2  SER  12           2HB      SER  12  -5.976 -10.250  -1.150
   88    HB3  SER  12           1HB      SER  12  -6.226 -11.896  -0.578
   89    HG   SER  12           HG       SER  12  -8.209 -10.843  -0.848
   90    H    TRP  13           H        TRP  13  -4.094  -8.570   0.192
   91    HA   TRP  13           HA       TRP  13  -1.728 -10.151  -0.584
   92    HB2  TRP  13           2HB      TRP  13  -2.452  -7.204  -0.597
   93    HB3  TRP  13           1HB      TRP  13  -0.945  -7.842  -1.253
   94    HD1  TRP  13           HD       TRP  13  -3.219 -10.464  -2.006
   95    HE1  TRP  13           1HE      TRP  13  -4.244 -10.250  -4.362
   96    HE3  TRP  13           3HE      TRP  13  -2.067  -5.596  -3.037
   97    HZ2  TRP  13           2HZ      TRP  13  -4.534  -8.278  -6.409
   98    HZ3  TRP  13           3HZ      TRP  13  -2.735  -4.575  -5.190
   99    HH2  TRP  13           HH       TRP  13  -3.970  -5.906  -6.877
  100    H    ALA  14           H        ALA  14  -2.232  -7.291   1.517
  101    HA   ALA  14           HA       ALA  14   0.215  -7.164   2.805
  102    HB1  ALA  14           1HB      ALA  14  -1.438  -5.519   3.227
  103    HB2  ALA  14           2HB      ALA  14  -1.255  -6.347   4.774
  104    HB3  ALA  14           3HB      ALA  14  -2.625  -6.724   3.729
  105    H    ARG  15           H        ARG  15  -2.295  -9.593   3.303
  106    HA   ARG  15           HA       ARG  15  -0.842 -10.682   5.666
  107    HB2  ARG  15           2HB      ARG  15  -3.561 -10.870   4.451
  108    HB3  ARG  15           1HB      ARG  15  -2.995 -12.264   5.374
  109    HG2  ARG  15           2HG      ARG  15  -2.922  -9.426   6.431
  110    HG3  ARG  15           1HG      ARG  15  -4.246 -10.549   6.746
  111    HD2  ARG  15           2HD      ARG  15  -1.340 -11.136   7.414
  112    HD3  ARG  15           1HD      ARG  15  -2.536 -10.542   8.585
  113    HE   ARG  15           HE       ARG  15  -2.446 -13.238   7.464
  114   HH11  ARG  15          1HH2      ARG  15  -4.396 -10.713   8.788
  115   HH12  ARG  15          2HH2      ARG  15  -5.646 -11.783   9.323
  116   HH21  ARG  15          1HH1      ARG  15  -4.073 -14.644   8.162
  117   HH22  ARG  15          2HH1      ARG  15  -5.466 -14.004   8.969
  118    H    LYS  16           H        LYS  16  -1.074 -11.148   2.283
  119    HA   LYS  16           HA       LYS  16  -0.320 -14.022   2.425
  120    HB2  LYS  16           2HB      LYS  16  -2.058 -13.198   0.855
  121    HB3  LYS  16           1HB      LYS  16  -0.868 -12.130   0.112
  122    HG2  LYS  16           2HG      LYS  16   0.442 -14.005  -0.657
  123    HG3  LYS  16           1HG      LYS  16  -0.548 -15.137   0.266
  124    HD2  LYS  16           2HD      LYS  16  -2.517 -14.083  -1.148
  125    HD3  LYS  16           1HD      LYS  16  -1.211 -13.659  -2.256
  126    HE2  LYS  16           2HE      LYS  16  -0.551 -16.241  -1.774
  127    HE3  LYS  16           1HE      LYS  16  -2.313 -16.339  -1.582
  128    HZ1  LYS  16           3HZ      LYS  16  -0.740 -15.610  -3.933
  129    HZ2  LYS  16           1HZ      LYS  16  -2.184 -14.755  -3.683
  130    HZ3  LYS  16           2HZ      LYS  16  -2.216 -16.447  -3.834
  131    H    GLY  17           H        GLY  17   1.399 -11.462   3.084
  132    HA2  GLY  17           2HA      GLY  17   3.709 -11.020   2.960
  133    HA3  GLY  17           1HA      GLY  17   3.892 -12.542   2.076
  134    H    PHE  18           H        PHE  18   1.521 -10.467   0.777
  135    HA   PHE  18           HA       PHE  18   2.743 -10.223  -1.770
  136    HB2  PHE  18           2HB      PHE  18   0.359  -9.515  -0.423
  137    HB3  PHE  18           1HB      PHE  18   0.966  -8.037  -1.165
  138    HD1  PHE  18           2HD      PHE  18  -0.219 -11.474  -1.790
  139    HD2  PHE  18           1HD      PHE  18   1.139  -7.813  -3.582
  140    HE1  PHE  18           2HE      PHE  18  -1.028 -12.255  -4.001
  141    HE2  PHE  18           1HE      PHE  18   0.327  -8.594  -5.792
  142    HZ   PHE  18           HZ       PHE  18  -0.759 -10.813  -6.002
  143    H    CYS  19           H        CYS  19   2.808  -8.005   1.031
  144    HA   CYS  19           HA       CYS  19   4.211  -5.900  -0.429
  145    HB2  CYS  19           2HB      CYS  19   3.253  -6.482   2.330
  146    HB3  CYS  19           1HB      CYS  19   4.550  -5.294   2.174
  147    H    ASP  20           H        ASP  20   5.310  -8.880   0.351
  148    HA   ASP  20           HA       ASP  20   8.047  -7.868   1.060
  149    HB2  ASP  20           2HB      ASP  20   6.335  -9.710   2.339
  150    HB3  ASP  20           1HB      ASP  20   7.587 -10.688   1.564
  151    H    VAL  21           H        VAL  21   6.218 -10.302  -0.792
  152    HA   VAL  21           HA       VAL  21   8.657 -10.797  -2.457
  153    HB   VAL  21           HB       VAL  21   6.458 -12.537  -3.098
  154   HG11  VAL  21          1HG1      VAL  21   9.229 -12.629  -2.612
  155   HG12  VAL  21          2HG1      VAL  21   8.202 -13.943  -3.187
  156   HG13  VAL  21          3HG1      VAL  21   8.504 -13.751  -1.461
  157   HG21  VAL  21          3HG2      VAL  21   5.444 -12.147  -0.954
  158   HG22  VAL  21          1HG2      VAL  21   7.005 -12.199  -0.134
  159   HG23  VAL  21          2HG2      VAL  21   6.318 -13.674  -0.817
  160    H    ARG  22           H        ARG  22   5.135 -10.307  -2.748
  161    HA   ARG  22           HA       ARG  22   5.379  -9.652  -5.610
  162    HB2  ARG  22           2HB      ARG  22   2.973  -9.407  -3.786
  163    HB3  ARG  22           1HB      ARG  22   2.987  -9.704  -5.525
  164    HG2  ARG  22           2HG      ARG  22   3.803 -11.597  -3.312
  165    HG3  ARG  22           1HG      ARG  22   2.551 -11.831  -4.532
  166    HD2  ARG  22           2HD      ARG  22   5.554 -11.800  -4.961
  167    HD3  ARG  22           1HD      ARG  22   4.429 -13.136  -5.280
  168    HE   ARG  22           HE       ARG  22   3.319 -11.301  -6.860
  169   HH11  ARG  22          1HH2      ARG  22   6.687 -11.951  -6.319
  170   HH12  ARG  22          2HH2      ARG  22   7.169 -11.346  -7.865
  171   HH21  ARG  22          1HH1      ARG  22   3.959 -10.530  -8.867
  172   HH22  ARG  22          2HH1      ARG  22   5.636 -10.546  -9.303
  173    H    GLN  23           H        GLN  23   6.018  -7.987  -2.827
  174    HA   GLN  23           HA       GLN  23   4.767  -5.568  -2.709
  175    HB2  GLN  23           2HB      GLN  23   6.828  -4.735  -1.841
  176    HB3  GLN  23           1HB      GLN  23   6.868  -6.475  -1.533
  177    HG2  GLN  23           2HG      GLN  23   7.974  -6.427  -4.001
  178    HG3  GLN  23           1HG      GLN  23   8.487  -4.846  -3.414
  179   HE21  GLN  23          1HE2      GLN  23   9.391  -4.979  -0.999
  180   HE22  GLN  23          2HE2      GLN  23  10.433  -6.282  -0.691
  181    H    ARG  24           H        ARG  24   6.737  -6.685  -5.389
  182    HA   ARG  24           HA       ARG  24   7.464  -4.395  -6.749
  183    HB2  ARG  24           2HB      ARG  24   7.634  -6.916  -7.309
  184    HB3  ARG  24           1HB      ARG  24   6.075  -6.704  -8.105
  185    HG2  ARG  24           2HG      ARG  24   7.490  -6.241  -9.879
  186    HG3  ARG  24           1HG      ARG  24   7.310  -4.621  -9.205
  187    HD2  ARG  24           2HD      ARG  24   9.463  -4.585  -8.363
  188    HD3  ARG  24           1HD      ARG  24   9.494  -6.339  -8.088
  189    HE   ARG  24           HE       ARG  24   9.253  -5.767 -10.903
  190   HH11  ARG  24          1HH2      ARG  24  11.444  -5.795  -8.231
  191   HH12  ARG  24          2HH2      ARG  24  12.843  -6.057  -9.216
  192   HH21  ARG  24          1HH1      ARG  24  11.067  -6.111 -12.194
  193   HH22  ARG  24          2HH1      ARG  24  12.631  -6.234 -11.460
  194    H    LEU  25           H        LEU  25   4.166  -5.876  -6.844
  195    HA   LEU  25           HA       LEU  25   3.241  -3.509  -8.382
  196    HB2  LEU  25           2HB      LEU  25   1.093  -4.921  -8.440
  197    HB3  LEU  25           1HB      LEU  25   2.495  -5.566  -9.282
  198    HG   LEU  25           HG       LEU  25   2.903  -7.187  -7.600
  199   HD11  LEU  25          1HD1      LEU  25   2.765  -5.911  -5.587
  200   HD12  LEU  25          2HD1      LEU  25   1.528  -7.154  -5.447
  201   HD13  LEU  25          3HD1      LEU  25   1.075  -5.505  -5.873
  202   HD21  LEU  25          3HD2      LEU  25  -0.044  -7.223  -7.262
  203   HD22  LEU  25          1HD2      LEU  25   1.034  -8.478  -7.879
  204   HD23  LEU  25          2HD2      LEU  25   0.531  -7.153  -8.930
  205    H    MET  26           H        MET  26   3.491  -4.300  -5.121
  206    HA   MET  26           HA       MET  26   0.915  -3.155  -4.276
  207    HB2  MET  26           2HB      MET  26   3.285  -4.502  -3.116
  208    HB3  MET  26           1HB      MET  26   2.468  -3.364  -2.043
  209    HG2  MET  26           2HG      MET  26   1.004  -5.515  -3.594
  210    HG3  MET  26           1HG      MET  26   1.592  -5.749  -1.949
  211    HE1  MET  26           3HE      MET  26   0.613  -5.481  -0.192
  212    HE2  MET  26           1HE      MET  26  -1.029  -5.960  -0.638
  213    HE3  MET  26           2HE      MET  26  -0.760  -4.486   0.290
  214    H    LYS  27           H        LYS  27   4.336  -2.168  -4.323
  215    HA   LYS  27           HA       LYS  27   4.339   0.175  -2.855
  216    HB2  LYS  27           2HB      LYS  27   6.126  -0.983  -4.336
  217    HB3  LYS  27           1HB      LYS  27   5.497   0.022  -5.642
  218    HG2  LYS  27           2HG      LYS  27   6.051   2.040  -4.483
  219    HG3  LYS  27           1HG      LYS  27   6.376   1.167  -2.984
  220    HD2  LYS  27           2HD      LYS  27   8.078  -0.086  -4.743
  221    HD3  LYS  27           1HD      LYS  27   8.113   1.581  -5.325
  222    HE2  LYS  27           2HE      LYS  27   9.087   2.382  -3.386
  223    HE3  LYS  27           1HE      LYS  27   8.320   1.146  -2.369
  224    HZ1  LYS  27           3HZ      LYS  27  10.336   0.174  -2.503
  225    HZ2  LYS  27           1HZ      LYS  27  10.775   1.000  -3.918
  226    HZ3  LYS  27           2HZ      LYS  27   9.775  -0.370  -4.011
  227    H    ARG  28           H        ARG  28   2.966  -0.278  -6.112
  228    HA   ARG  28           HA       ARG  28   2.047   2.558  -6.118
  229    HB2  ARG  28           2HB      ARG  28   2.001   0.414  -8.265
  230    HB3  ARG  28           1HB      ARG  28   1.703   2.136  -8.503
  231    HG2  ARG  28           2HG      ARG  28   4.090   2.320  -7.305
  232    HG3  ARG  28           1HG      ARG  28   4.276   0.711  -8.003
  233    HD2  ARG  28           2HD      ARG  28   3.155   2.185 -10.086
  234    HD3  ARG  28           1HD      ARG  28   4.313   3.308  -9.344
  235    HE   ARG  28           HE       ARG  28   5.670   0.884  -9.424
  236   HH11  ARG  28          1HH2      ARG  28   4.045   2.929 -11.684
  237   HH12  ARG  28          2HH2      ARG  28   5.048   2.467 -13.018
  238   HH21  ARG  28          1HH1      ARG  28   6.978   0.272 -11.154
  239   HH22  ARG  28          2HH1      ARG  28   6.707   0.964 -12.718
  240    H    LEU  29           H        LEU  29   0.720  -0.747  -6.592
  241    HA   LEU  29           HA       LEU  29  -1.998   0.045  -6.930
  242    HB2  LEU  29           2HB      LEU  29  -0.614  -2.460  -5.976
  243    HB3  LEU  29           1HB      LEU  29  -2.368  -2.382  -6.163
  244    HG   LEU  29           HG       LEU  29  -0.428  -1.644  -8.369
  245   HD11  LEU  29          1HD1      LEU  29  -0.301  -3.810  -9.020
  246   HD12  LEU  29          2HD1      LEU  29  -2.007  -4.098  -8.680
  247   HD13  LEU  29          3HD1      LEU  29  -0.820  -4.197  -7.379
  248   HD21  LEU  29          3HD2      LEU  29  -2.744  -2.317  -9.573
  249   HD22  LEU  29          1HD2      LEU  29  -2.414  -0.677  -9.015
  250   HD23  LEU  29          2HD2      LEU  29  -3.385  -1.765  -8.026
  251    H    CYS  30           H        CYS  30  -0.419  -1.196  -3.927
  252    HA   CYS  30           HA       CYS  30  -2.467   0.369  -2.398
  253    HB2  CYS  30           2HB      CYS  30  -2.611  -2.324  -2.827
  254    HB3  CYS  30           1HB      CYS  30  -1.694  -2.274  -1.317
  255    HA   PRO  31           HA       PRO  31   1.833   0.896  -0.730
  256    HB2  PRO  31           2HB      PRO  31   1.866   3.622  -0.866
  257    HB3  PRO  31           1HB      PRO  31   2.357   2.583  -2.222
  258    HG2  PRO  31           2HG      PRO  31  -0.194   4.049  -1.785
  259    HG3  PRO  31           1HG      PRO  31   0.698   3.763  -3.286
  260    HD2  PRO  31           2HD      PRO  31  -1.536   2.363  -2.528
  261    HD3  PRO  31           1HD      PRO  31  -0.291   1.740  -3.636
  262    H    ARG  32           H        ARG  32  -1.263   2.489  -0.090
  263    HA   ARG  32           HA       ARG  32  -0.710   3.769   2.362
  264    HB2  ARG  32           2HB      ARG  32  -2.924   3.099   0.759
  265    HB3  ARG  32           1HB      ARG  32  -3.287   2.437   2.354
  266    HG2  ARG  32           2HG      ARG  32  -2.862   4.604   3.395
  267    HG3  ARG  32           1HG      ARG  32  -2.372   5.283   1.843
  268    HD2  ARG  32           2HD      ARG  32  -4.527   5.655   1.235
  269    HD3  ARG  32           1HD      ARG  32  -5.021   4.024   1.727
  270    HE   ARG  32           HE       ARG  32  -4.604   5.204   4.142
  271   HH11  ARG  32          1HH2      ARG  32  -6.272   6.230   1.294
  272   HH12  ARG  32          2HH2      ARG  32  -7.409   7.205   2.159
  273   HH21  ARG  32          1HH1      ARG  32  -6.083   6.470   5.274
  274   HH22  ARG  32          2HH1      ARG  32  -7.304   7.342   4.406
  275    H    SER  33           H        SER  33  -2.274   0.550   2.101
  276    HA   SER  33           HA       SER  33  -2.196  -0.306   4.708
  277    HB2  SER  33           2HB      SER  33  -2.649  -1.433   2.271
  278    HB3  SER  33           1HB      SER  33  -1.164  -2.263   2.730
  279    HG   SER  33           HG       SER  33  -3.689  -2.548   3.683
  280    H    CYS  34           H        CYS  34   0.526  -0.920   2.440
  281    HA   CYS  34           HA       CYS  34   2.292  -1.552   4.718
  282    HB2  CYS  34           2HB      CYS  34   2.589  -1.542   1.704
  283    HB3  CYS  34           1HB      CYS  34   3.860  -2.069   2.811
  284    H    ASP  35           H        ASP  35   1.301   1.309   3.505
  285    HA   ASP  35           HA       ASP  35   2.262   3.467   3.327
  286    HB2  ASP  35           2HB      ASP  35   2.404   2.607   5.768
  287    HB3  ASP  35           1HB      ASP  35   4.128   2.392   5.442
  288    H    PHE  36           H        PHE  36   3.310   2.000   1.253
  289    HA   PHE  36           HA       PHE  36   6.231   1.897   1.369
  290    HB2  PHE  36           2HB      PHE  36   4.111   1.570  -0.761
  291    HB3  PHE  36           1HB      PHE  36   5.831   1.494  -1.149
  292    HD1  PHE  36           1HD      PHE  36   6.671   0.177   1.559
  293    HD2  PHE  36           2HD      PHE  36   3.600  -0.725  -1.312
  294    HE1  PHE  36           1HE      PHE  36   6.700  -2.195   2.267
  295    HE2  PHE  36           2HE      PHE  36   3.637  -3.092  -0.603
  296    HZ   PHE  36           HZ       PHE  36   5.183  -3.831   1.188
  297    H    CYS  37           H        CYS  37   4.164   4.459   1.290
  298    HA   CYS  37           HA       CYS  37   5.990   6.076  -0.464
  299    HB2  CYS  37           2HB      CYS  37   3.478   5.629  -1.028
  300    HB3  CYS  37           1HB      CYS  37   3.155   6.801   0.256
  301    HXT  CYS  37           2H       CYS  37   6.272   7.072   3.225
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1   5.084   9.488  -4.399
    2    HA   TYR   1           HA       TYR   1   3.719   9.916  -2.504
    3    HB2  TYR   1           2HB      TYR   1   3.982  12.111  -4.270
    4    HB3  TYR   1           1HB      TYR   1   2.303  12.124  -3.729
    5    HD1  TYR   1           1HD      TYR   1   5.804  11.819  -2.447
    6    HD2  TYR   1           2HD      TYR   1   1.750  12.957  -1.604
    7    HE1  TYR   1           1HE      TYR   1   6.516  12.721  -0.248
    8    HE2  TYR   1           2HE      TYR   1   2.460  13.859   0.595
    9    HH   TYR   1           HH       TYR   1   5.879  13.730   1.616
   10    H    GLY   2           H        GLY   2   1.423  10.050  -1.737
   11    HA2  GLY   2           2HA      GLY   2  -0.946   9.984  -3.022
   12    HA3  GLY   2           1HA      GLY   2  -0.317   8.392  -3.446
   13    H    CYS   3           H        CYS   3   0.696   7.276  -1.334
   14    HA   CYS   3           HA       CYS   3   0.238   6.326   0.784
   15    HB2  CYS   3           2HB      CYS   3  -0.103   9.129   0.924
   16    HB3  CYS   3           1HB      CYS   3  -1.481   8.433   1.778
   17    H    LEU   4           H        LEU   4  -1.812   6.419  -1.618
   18    HA   LEU   4           HA       LEU   4  -4.110   5.346  -0.013
   19    HB2  LEU   4           2HB      LEU   4  -5.605   6.483  -1.490
   20    HB3  LEU   4           1HB      LEU   4  -4.354   7.661  -1.095
   21    HG   LEU   4           HG       LEU   4  -3.329   6.289  -3.301
   22   HD11  LEU   4          1HD1      LEU   4  -5.842   5.508  -3.422
   23   HD12  LEU   4          2HD1      LEU   4  -5.017   6.032  -4.890
   24   HD13  LEU   4          3HD1      LEU   4  -6.112   7.132  -4.053
   25   HD21  LEU   4          3HD2      LEU   4  -2.913   8.558  -3.305
   26   HD22  LEU   4          1HD2      LEU   4  -4.532   8.962  -2.736
   27   HD23  LEU   4          2HD2      LEU   4  -4.272   8.539  -4.427
   28    H    ASP   5           H        ASP   5  -5.214   3.580  -0.969
   29    HA   ASP   5           HA       ASP   5  -3.571   1.877  -2.683
   30    HB2  ASP   5           2HB      ASP   5  -5.287   0.251  -2.153
   31    HB3  ASP   5           1HB      ASP   5  -4.964   1.189  -0.693
   32    H    ARG   6           H        ARG   6  -4.456   0.874  -4.665
   33    HA   ARG   6           HA       ARG   6  -6.047   2.821  -6.281
   34    HB2  ARG   6           2HB      ARG   6  -3.759   1.012  -6.670
   35    HB3  ARG   6           1HB      ARG   6  -4.950   0.915  -7.965
   36    HG2  ARG   6           2HG      ARG   6  -4.871   3.391  -8.185
   37    HG3  ARG   6           1HG      ARG   6  -3.608   3.439  -6.956
   38    HD2  ARG   6           2HD      ARG   6  -2.857   3.426  -9.451
   39    HD3  ARG   6           1HD      ARG   6  -2.056   2.284  -8.354
   40    HE   ARG   6           HE       ARG   6  -3.212   0.506  -9.421
   41   HH11  ARG   6          1HH2      ARG   6  -4.516   3.599 -10.251
   42   HH12  ARG   6          2HH2      ARG   6  -5.556   2.971 -11.483
   43   HH21  ARG   6          1HH1      ARG   6  -4.569  -0.320 -11.024
   44   HH22  ARG   6          2HH1      ARG   6  -5.588   0.756 -11.920
   45    H    ILE   7           H        ILE   7  -6.205  -0.268  -4.782
   46    HA   ILE   7           HA       ILE   7  -8.751  -0.854  -6.233
   47    HB   ILE   7           HB       ILE   7  -7.979  -3.247  -6.328
   48   HG12  ILE   7          2HG1      ILE   7  -5.308  -3.263  -6.156
   49   HG13  ILE   7          1HG1      ILE   7  -5.623  -1.991  -4.981
   50   HG21  ILE   7          1HG2      ILE   7  -7.380  -2.665  -8.413
   51   HG22  ILE   7          2HG2      ILE   7  -5.790  -2.200  -7.810
   52   HG23  ILE   7          3HG2      ILE   7  -7.088  -1.008  -7.884
   53   HD11  ILE   7          3HD1      ILE   7  -5.552  -4.425  -4.116
   54   HD12  ILE   7          1HD1      ILE   7  -7.125  -4.598  -4.893
   55   HD13  ILE   7          2HD1      ILE   7  -6.904  -3.417  -3.603
   56    H    PHE   8           H        PHE   8  -8.985  -3.431  -4.794
   57    HA   PHE   8           HA       PHE   8  -9.246  -2.453  -1.973
   58    HB2  PHE   8           2HB      PHE   8 -11.350  -2.352  -3.400
   59    HB3  PHE   8           1HB      PHE   8 -11.282  -4.116  -3.474
   60    HD1  PHE   8           2HD      PHE   8 -10.758  -1.527  -0.795
   61    HD2  PHE   8           1HD      PHE   8 -12.732  -5.153  -1.984
   62    HE1  PHE   8           2HE      PHE   8 -11.838  -1.668   1.433
   63    HE2  PHE   8           1HE      PHE   8 -13.809  -5.295   0.244
   64    HZ   PHE   8           HZ       PHE   8 -13.363  -3.554   1.953
   65    H    VAL   9           H        VAL   9  -8.729  -5.167  -4.169
   66    HA   VAL   9           HA       VAL   9  -8.790  -7.242  -2.158
   67    HB   VAL   9           HB       VAL   9  -8.985  -7.320  -4.724
   68   HG11  VAL   9          1HG1      VAL   9  -6.205  -8.031  -5.064
   69   HG12  VAL   9          2HG1      VAL   9  -6.340  -6.362  -4.516
   70   HG13  VAL   9          3HG1      VAL   9  -7.171  -6.878  -5.982
   71   HG21  VAL   9          3HG2      VAL   9  -7.971  -9.604  -4.778
   72   HG22  VAL   9          1HG2      VAL   9  -8.975  -9.335  -3.353
   73   HG23  VAL   9          2HG2      VAL   9  -7.217  -9.268  -3.220
   74    H    CYS  10           H        CYS  10  -7.342  -5.374  -0.883
   75    HA   CYS  10           HA       CYS  10  -4.456  -6.018  -1.246
   76    HB2  CYS  10           2HB      CYS  10  -6.029  -3.889   0.225
   77    HB3  CYS  10           1HB      CYS  10  -4.281  -4.071   0.411
   78    H    THR  11           H        THR  11  -7.133  -6.260   1.055
   79    HA   THR  11           HA       THR  11  -5.850  -6.959   3.433
   80    HB   THR  11           HB       THR  11  -8.340  -7.977   2.049
   81    HG1  THR  11           1HG      THR  11  -7.778  -6.172   4.157
   82   HG21  THR  11          3HG2      THR  11  -7.697  -9.754   3.546
   83   HG22  THR  11          1HG2      THR  11  -8.990  -8.843   4.329
   84   HG23  THR  11          2HG2      THR  11  -7.315  -8.605   4.829
   85    H    SER  12           H        SER  12  -7.057  -9.412   1.113
   86    HA   SER  12           HA       SER  12  -5.732 -11.657   2.097
   87    HB2  SER  12           2HB      SER  12  -6.295 -10.762  -0.745
   88    HB3  SER  12           1HB      SER  12  -5.827 -12.405  -0.320
   89    HG   SER  12           HG       SER  12  -8.152 -10.960   0.386
   90    H    TRP  13           H        TRP  13  -4.470  -9.403  -0.395
   91    HA   TRP  13           HA       TRP  13  -1.949 -10.470  -0.862
   92    HB2  TRP  13           2HB      TRP  13  -2.969  -7.642  -0.536
   93    HB3  TRP  13           1HB      TRP  13  -1.308  -7.966  -1.040
   94    HD1  TRP  13           HD       TRP  13  -2.891 -10.748  -2.480
   95    HE1  TRP  13           1HE      TRP  13  -3.661 -10.336  -4.908
   96    HE3  TRP  13           3HE      TRP  13  -2.730  -5.646  -2.603
   97    HZ2  TRP  13           2HZ      TRP  13  -4.142  -8.130  -6.667
   98    HZ3  TRP  13           3HZ      TRP  13  -3.349  -4.415  -4.663
   99    HH2  TRP  13           HH       TRP  13  -4.056  -5.650  -6.693
  100    H    ALA  14           H        ALA  14  -2.694  -8.073   1.700
  101    HA   ALA  14           HA       ALA  14  -0.234  -7.976   3.012
  102    HB1  ALA  14           1HB      ALA  14  -3.102  -7.633   3.687
  103    HB2  ALA  14           2HB      ALA  14  -1.750  -6.528   3.941
  104    HB3  ALA  14           3HB      ALA  14  -2.027  -7.858   5.067
  105    H    ARG  15           H        ARG  15  -2.856 -10.354   3.513
  106    HA   ARG  15           HA       ARG  15  -1.470 -11.852   5.563
  107    HB2  ARG  15           2HB      ARG  15  -3.978 -11.778   4.205
  108    HB3  ARG  15           1HB      ARG  15  -3.356 -13.424   4.070
  109    HG2  ARG  15           2HG      ARG  15  -3.109 -12.116   6.731
  110    HG3  ARG  15           1HG      ARG  15  -4.732 -12.580   6.222
  111    HD2  ARG  15           2HD      ARG  15  -3.904 -14.890   5.765
  112    HD3  ARG  15           1HD      ARG  15  -2.313 -14.410   6.391
  113    HE   ARG  15           HE       ARG  15  -4.019 -13.603   8.392
  114   HH11  ARG  15          1HH2      ARG  15  -3.565 -16.540   6.627
  115   HH12  ARG  15          2HH2      ARG  15  -4.068 -17.554   7.938
  116   HH21  ARG  15          1HH1      ARG  15  -4.676 -14.914  10.102
  117   HH22  ARG  15          2HH1      ARG  15  -4.697 -16.635   9.903
  118    H    LYS  16           H        LYS  16  -0.857 -11.541   2.260
  119    HA   LYS  16           HA       LYS  16   0.345 -14.284   2.092
  120    HB2  LYS  16           2HB      LYS  16  -1.064 -12.437   0.251
  121    HB3  LYS  16           1HB      LYS  16   0.306 -13.301  -0.451
  122    HG2  LYS  16           2HG      LYS  16  -0.673 -15.383  -0.145
  123    HG3  LYS  16           1HG      LYS  16  -1.667 -14.832   1.204
  124    HD2  LYS  16           2HD      LYS  16  -3.330 -14.067  -0.158
  125    HD3  LYS  16           1HD      LYS  16  -2.199 -13.510  -1.394
  126    HE2  LYS  16           2HE      LYS  16  -1.783 -16.015  -1.890
  127    HE3  LYS  16           1HE      LYS  16  -3.267 -16.305  -0.959
  128    HZ1  LYS  16           3HZ      LYS  16  -2.923 -14.957  -3.518
  129    HZ2  LYS  16           1HZ      LYS  16  -4.033 -14.252  -2.447
  130    HZ3  LYS  16           2HZ      LYS  16  -4.235 -15.866  -2.940
  131    H    GLY  17           H        GLY  17   1.373 -11.441   3.088
  132    HA2  GLY  17           2HA      GLY  17   3.481 -10.402   3.127
  133    HA3  GLY  17           1HA      GLY  17   4.114 -11.851   2.337
  134    H    PHE  18           H        PHE  18   1.499 -10.433   0.684
  135    HA   PHE  18           HA       PHE  18   2.827  -9.985  -1.743
  136    HB2  PHE  18           2HB      PHE  18   0.289  -9.815  -0.744
  137    HB3  PHE  18           1HB      PHE  18   0.644  -8.115  -1.042
  138    HD1  PHE  18           2HD      PHE  18   1.473 -11.337  -2.787
  139    HD2  PHE  18           1HD      PHE  18  -0.174  -7.383  -3.087
  140    HE1  PHE  18           2HE      PHE  18   1.083 -11.685  -5.212
  141    HE2  PHE  18           1HE      PHE  18  -0.565  -7.729  -5.512
  142    HZ   PHE  18           HZ       PHE  18   0.063  -9.880  -6.575
  143    H    CYS  19           H        CYS  19   2.608  -7.861   1.077
  144    HA   CYS  19           HA       CYS  19   3.504  -5.447  -0.228
  145    HB2  CYS  19           2HB      CYS  19   3.602  -6.456   2.636
  146    HB3  CYS  19           1HB      CYS  19   3.984  -4.799   2.168
  147    H    ASP  20           H        ASP  20   5.131  -8.355   0.600
  148    HA   ASP  20           HA       ASP  20   7.790  -6.984   0.677
  149    HB2  ASP  20           2HB      ASP  20   6.536  -9.187   2.033
  150    HB3  ASP  20           1HB      ASP  20   7.953  -9.787   1.165
  151    H    VAL  21           H        VAL  21   5.905  -9.427  -1.067
  152    HA   VAL  21           HA       VAL  21   8.162 -10.020  -2.888
  153    HB   VAL  21           HB       VAL  21   5.283 -10.953  -3.012
  154   HG11  VAL  21          1HG1      VAL  21   6.145 -12.790  -4.228
  155   HG12  VAL  21          2HG1      VAL  21   7.796 -12.478  -3.698
  156   HG13  VAL  21          3HG1      VAL  21   7.029 -11.404  -4.868
  157   HG21  VAL  21          3HG2      VAL  21   6.967 -12.857  -1.710
  158   HG22  VAL  21          1HG2      VAL  21   5.557 -12.027  -1.051
  159   HG23  VAL  21          2HG2      VAL  21   7.161 -11.315  -0.877
  160    H    ARG  22           H        ARG  22   4.770  -8.934  -3.272
  161    HA   ARG  22           HA       ARG  22   5.295  -7.915  -5.972
  162    HB2  ARG  22           2HB      ARG  22   3.098  -8.735  -4.357
  163    HB3  ARG  22           1HB      ARG  22   2.802  -7.059  -4.823
  164    HG2  ARG  22           2HG      ARG  22   1.886  -8.466  -6.559
  165    HG3  ARG  22           1HG      ARG  22   3.342  -7.710  -7.199
  166    HD2  ARG  22           2HD      ARG  22   4.596  -9.701  -7.052
  167    HD3  ARG  22           1HD      ARG  22   3.481 -10.420  -5.873
  168    HE   ARG  22           HE       ARG  22   2.062 -11.037  -7.665
  169   HH11  ARG  22          1HH2      ARG  22   4.397  -8.672  -8.606
  170   HH12  ARG  22          2HH2      ARG  22   3.965  -8.726 -10.281
  171   HH21  ARG  22          1HH1      ARG  22   1.488 -11.113  -9.845
  172   HH22  ARG  22          2HH1      ARG  22   2.319 -10.106 -10.983
  173    H    GLN  23           H        GLN  23   6.073  -6.747  -2.997
  174    HA   GLN  23           HA       GLN  23   5.306  -4.258  -2.402
  175    HB2  GLN  23           2HB      GLN  23   7.252  -5.259  -1.423
  176    HB3  GLN  23           1HB      GLN  23   8.113  -5.239  -2.968
  177    HG2  GLN  23           2HG      GLN  23   8.608  -3.002  -2.819
  178    HG3  GLN  23           1HG      GLN  23   7.119  -2.621  -1.954
  179   HE21  GLN  23          1HE2      GLN  23   9.533  -1.568  -0.961
  180   HE22  GLN  23          2HE2      GLN  23   9.943  -2.356   0.484
  181    H    ARG  24           H        ARG  24   7.815  -4.516  -4.975
  182    HA   ARG  24           HA       ARG  24   7.794  -1.919  -5.928
  183    HB2  ARG  24           2HB      ARG  24   8.269  -3.050  -8.183
  184    HB3  ARG  24           1HB      ARG  24   9.286  -3.551  -6.832
  185    HG2  ARG  24           2HG      ARG  24   6.910  -5.165  -6.862
  186    HG3  ARG  24           1HG      ARG  24   7.644  -5.192  -8.465
  187    HD2  ARG  24           2HD      ARG  24   9.615  -5.418  -6.293
  188    HD3  ARG  24           1HD      ARG  24   8.462  -6.767  -6.352
  189    HE   ARG  24           HE       ARG  24   9.436  -6.015  -8.993
  190   HH11  ARG  24          1HH2      ARG  24  10.041  -7.818  -6.110
  191   HH12  ARG  24          2HH2      ARG  24  11.052  -8.983  -6.896
  192   HH21  ARG  24          1HH1      ARG  24  10.750  -7.530 -10.030
  193   HH22  ARG  24          2HH1      ARG  24  11.454  -8.821  -9.115
  194    H    LEU  25           H        LEU  25   5.302  -4.357  -6.423
  195    HA   LEU  25           HA       LEU  25   3.833  -2.729  -8.393
  196    HB2  LEU  25           2HB      LEU  25   3.832  -5.118  -8.654
  197    HB3  LEU  25           1HB      LEU  25   3.404  -5.365  -6.964
  198    HG   LEU  25           HG       LEU  25   1.434  -3.676  -8.218
  199   HD11  LEU  25          1HD1      LEU  25   0.959  -4.709 -10.174
  200   HD12  LEU  25          2HD1      LEU  25   1.112  -6.307  -9.444
  201   HD13  LEU  25          3HD1      LEU  25   2.544  -5.469 -10.043
  202   HD21  LEU  25          3HD2      LEU  25   1.204  -5.100  -6.162
  203   HD22  LEU  25          1HD2      LEU  25   1.259  -6.528  -7.194
  204   HD23  LEU  25          2HD2      LEU  25  -0.072  -5.380  -7.346
  205    H    MET  26           H        MET  26   3.168  -4.016  -5.110
  206    HA   MET  26           HA       MET  26   0.760  -2.575  -4.635
  207    HB2  MET  26           2HB      MET  26   2.953  -3.745  -2.924
  208    HB3  MET  26           1HB      MET  26   1.555  -2.958  -2.194
  209    HG2  MET  26           2HG      MET  26   0.044  -4.505  -3.308
  210    HG3  MET  26           1HG      MET  26   1.390  -5.242  -4.178
  211    HE1  MET  26           3HE      MET  26  -0.548  -4.730  -1.028
  212    HE2  MET  26           1HE      MET  26  -0.269  -6.256  -0.178
  213    HE3  MET  26           2HE      MET  26  -0.976  -6.259  -1.791
  214    H    LYS  27           H        LYS  27   4.150  -1.654  -4.232
  215    HA   LYS  27           HA       LYS  27   4.201   0.508  -2.579
  216    HB2  LYS  27           2HB      LYS  27   5.999  -0.395  -4.106
  217    HB3  LYS  27           1HB      LYS  27   5.275   0.540  -5.414
  218    HG2  LYS  27           2HG      LYS  27   6.329   2.398  -4.715
  219    HG3  LYS  27           1HG      LYS  27   5.604   2.237  -3.115
  220    HD2  LYS  27           2HD      LYS  27   7.567   0.249  -3.183
  221    HD3  LYS  27           1HD      LYS  27   8.321   1.634  -3.974
  222    HE2  LYS  27           2HE      LYS  27   8.528   2.729  -1.999
  223    HE3  LYS  27           1HE      LYS  27   6.819   2.451  -1.608
  224    HZ1  LYS  27           3HZ      LYS  27   8.882   0.324  -1.450
  225    HZ2  LYS  27           1HZ      LYS  27   7.296   0.277  -0.849
  226    HZ3  LYS  27           2HZ      LYS  27   8.450   1.286  -0.118
  227    H    ARG  28           H        ARG  28   3.141   0.764  -5.999
  228    HA   ARG  28           HA       ARG  28   1.928   3.414  -5.377
  229    HB2  ARG  28           2HB      ARG  28   2.101   3.775  -7.721
  230    HB3  ARG  28           1HB      ARG  28   3.551   2.863  -7.305
  231    HG2  ARG  28           2HG      ARG  28   2.428   0.768  -7.989
  232    HG3  ARG  28           1HG      ARG  28   0.995   1.693  -8.442
  233    HD2  ARG  28           2HD      ARG  28   2.823   3.070  -9.861
  234    HD3  ARG  28           1HD      ARG  28   3.627   1.487  -9.832
  235    HE   ARG  28           HE       ARG  28   1.894   0.653 -11.203
  236   HH11  ARG  28          1HH2      ARG  28   0.953   3.554  -9.583
  237   HH12  ARG  28          2HH2      ARG  28  -0.552   3.690 -10.429
  238   HH21  ARG  28          1HH1      ARG  28  -0.064   0.823 -12.313
  239   HH22  ARG  28          2HH1      ARG  28  -1.128   2.148 -11.971
  240    H    LEU  29           H        LEU  29   1.007   0.188  -5.487
  241    HA   LEU  29           HA       LEU  29  -1.698   0.743  -6.581
  242    HB2  LEU  29           2HB      LEU  29  -1.232  -1.293  -7.449
  243    HB3  LEU  29           1HB      LEU  29   0.171  -1.476  -6.400
  244    HG   LEU  29           HG       LEU  29  -1.429  -2.137  -4.550
  245   HD11  LEU  29          1HD1      LEU  29  -3.333  -1.221  -6.372
  246   HD12  LEU  29          2HD1      LEU  29  -3.664  -2.130  -4.898
  247   HD13  LEU  29          3HD1      LEU  29  -3.492  -2.976  -6.436
  248   HD21  LEU  29          3HD2      LEU  29  -1.850  -4.064  -6.786
  249   HD22  LEU  29          1HD2      LEU  29  -1.223  -4.348  -5.162
  250   HD23  LEU  29          2HD2      LEU  29  -0.184  -3.638  -6.398
  251    H    CYS  30           H        CYS  30  -0.193  -0.569  -3.581
  252    HA   CYS  30           HA       CYS  30  -2.581   0.424  -2.095
  253    HB2  CYS  30           2HB      CYS  30  -2.383  -2.171  -2.921
  254    HB3  CYS  30           1HB      CYS  30  -1.627  -2.264  -1.327
  255    HA   PRO  31           HA       PRO  31   1.356   1.123   0.180
  256    HB2  PRO  31           2HB      PRO  31   1.074   3.821   0.469
  257    HB3  PRO  31           1HB      PRO  31   1.817   3.083  -0.965
  258    HG2  PRO  31           2HG      PRO  31  -0.879   4.256  -0.627
  259    HG3  PRO  31           1HG      PRO  31   0.158   4.194  -2.061
  260    HD2  PRO  31           2HD      PRO  31  -2.034   2.543  -1.557
  261    HD3  PRO  31           1HD      PRO  31  -0.758   2.245  -2.759
  262    H    ARG  32           H        ARG  32  -1.987   2.063   0.633
  263    HA   ARG  32           HA       ARG  32  -1.836   2.953   3.359
  264    HB2  ARG  32           2HB      ARG  32  -4.167   3.011   3.170
  265    HB3  ARG  32           1HB      ARG  32  -3.679   3.082   1.481
  266    HG2  ARG  32           2HG      ARG  32  -5.240   1.383   1.360
  267    HG3  ARG  32           1HG      ARG  32  -3.793   0.433   1.696
  268    HD2  ARG  32           2HD      ARG  32  -5.063  -0.417   3.407
  269    HD3  ARG  32           1HD      ARG  32  -4.604   1.076   4.240
  270    HE   ARG  32           HE       ARG  32  -7.178   0.614   2.814
  271   HH11  ARG  32          1HH2      ARG  32  -5.100   2.660   4.717
  272   HH12  ARG  32          2HH2      ARG  32  -6.369   3.758   5.120
  273   HH21  ARG  32          1HH1      ARG  32  -8.807   2.059   3.354
  274   HH22  ARG  32          2HH1      ARG  32  -8.450   3.426   4.357
  275    H    SER  33           H        SER  33  -1.740  -0.208   1.914
  276    HA   SER  33           HA       SER  33  -2.426  -1.578   4.456
  277    HB2  SER  33           2HB      SER  33  -1.854  -3.566   2.806
  278    HB3  SER  33           1HB      SER  33  -3.354  -2.657   2.603
  279    HG   SER  33           HG       SER  33  -0.938  -2.503   1.156
  280    H    CYS  34           H        CYS  34   0.314  -1.505   2.137
  281    HA   CYS  34           HA       CYS  34   2.100  -2.796   4.095
  282    HB2  CYS  34           2HB      CYS  34   2.924  -1.525   1.496
  283    HB3  CYS  34           1HB      CYS  34   3.575  -2.968   2.266
  284    H    ASP  35           H        ASP  35   0.931   0.274   3.809
  285    HA   ASP  35           HA       ASP  35   1.715   2.401   4.481
  286    HB2  ASP  35           2HB      ASP  35   1.975   0.840   6.491
  287    HB3  ASP  35           1HB      ASP  35   3.686   0.724   6.059
  288    H    PHE  36           H        PHE  36   2.856   1.394   2.044
  289    HA   PHE  36           HA       PHE  36   5.717   1.570   1.951
  290    HB2  PHE  36           2HB      PHE  36   3.438   1.882  -0.005
  291    HB3  PHE  36           1HB      PHE  36   5.114   2.069  -0.529
  292    HD1  PHE  36           1HD      PHE  36   6.457   0.054   1.230
  293    HD2  PHE  36           2HD      PHE  36   2.786  -0.169  -0.993
  294    HE1  PHE  36           1HE      PHE  36   6.676  -2.412   1.108
  295    HE2  PHE  36           2HE      PHE  36   3.012  -2.633  -1.111
  296    HZ   PHE  36           HZ       PHE  36   4.955  -3.753  -0.067
  297    H    CYS  37           H        CYS  37   3.397   3.990   2.536
  298    HA   CYS  37           HA       CYS  37   4.368   6.249   1.142
  299    HB2  CYS  37           2HB      CYS  37   2.519   5.627   3.147
  300    HB3  CYS  37           1HB      CYS  37   3.609   6.790   3.907
  301    HXT  CYS  37           2H       CYS  37   7.001   7.679   3.225
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1  -1.057  12.487   1.466
    2    HA   TYR   1           HA       TYR   1   0.411  13.328  -0.217
    3    HB2  TYR   1           2HB      TYR   1   1.803  11.155   1.074
    4    HB3  TYR   1           1HB      TYR   1   2.125  11.113  -0.659
    5    HD1  TYR   1           2HD      TYR   1   2.972  13.194  -1.813
    6    HD2  TYR   1           1HD      TYR   1   2.723  12.858   2.461
    7    HE1  TYR   1           2HE      TYR   1   4.522  15.115  -1.572
    8    HE2  TYR   1           1HE      TYR   1   4.273  14.778   2.701
    9    HH   TYR   1           HH       TYR   1   5.190  16.746  -0.009
   10    H    GLY   2           H        GLY   2   1.330  12.233  -2.483
   11    HA2  GLY   2           2HA      GLY   2  -1.022  11.492  -3.937
   12    HA3  GLY   2           1HA      GLY   2   0.626  11.388  -4.557
   13    H    CYS   3           H        CYS   3   1.398   9.625  -2.245
   14    HA   CYS   3           HA       CYS   3   1.001   7.087  -3.496
   15    HB2  CYS   3           2HB      CYS   3   2.563   8.182  -1.512
   16    HB3  CYS   3           1HB      CYS   3   1.502   7.113  -0.595
   17    H    LEU   4           H        LEU   4  -0.892   5.971  -3.583
   18    HA   LEU   4           HA       LEU   4  -2.479   5.463  -1.198
   19    HB2  LEU   4           2HB      LEU   4  -3.622   7.440  -1.420
   20    HB3  LEU   4           1HB      LEU   4  -3.079   7.667  -3.080
   21    HG   LEU   4           HG       LEU   4  -4.738   5.925  -3.792
   22   HD11  LEU   4          1HD1      LEU   4  -6.044   4.811  -2.296
   23   HD12  LEU   4          2HD1      LEU   4  -6.295   6.249  -1.308
   24   HD13  LEU   4          3HD1      LEU   4  -4.823   5.296  -1.120
   25   HD21  LEU   4          3HD2      LEU   4  -6.204   8.073  -2.281
   26   HD22  LEU   4          1HD2      LEU   4  -6.495   7.469  -3.913
   27   HD23  LEU   4          2HD2      LEU   4  -5.115   8.522  -3.594
   28    H    ASP   5           H        ASP   5  -3.830   3.670  -1.547
   29    HA   ASP   5           HA       ASP   5  -3.222   2.007  -3.817
   30    HB2  ASP   5           2HB      ASP   5  -4.838   0.510  -2.735
   31    HB3  ASP   5           1HB      ASP   5  -3.790   1.240  -1.518
   32    H    ARG   6           H        ARG   6  -4.928   1.147  -5.320
   33    HA   ARG   6           HA       ARG   6  -7.057   3.197  -5.879
   34    HB2  ARG   6           2HB      ARG   6  -6.525   2.809  -8.293
   35    HB3  ARG   6           1HB      ARG   6  -5.178   3.509  -7.397
   36    HG2  ARG   6           2HG      ARG   6  -4.176   1.283  -7.139
   37    HG3  ARG   6           1HG      ARG   6  -5.522   0.562  -8.017
   38    HD2  ARG   6           2HD      ARG   6  -3.667   2.672  -9.183
   39    HD3  ARG   6           1HD      ARG   6  -3.527   0.934  -9.486
   40    HE   ARG   6           HE       ARG   6  -5.547   1.004 -10.753
   41   HH11  ARG   6          1HH2      ARG   6  -4.869   4.007  -9.159
   42   HH12  ARG   6          2HH2      ARG   6  -6.058   4.887 -10.054
   43   HH21  ARG   6          1HH1      ARG   6  -7.078   2.160 -11.926
   44   HH22  ARG   6          2HH1      ARG   6  -7.296   3.851 -11.618
   45    H    ILE   7           H        ILE   7  -6.756   0.257  -4.756
   46    HA   ILE   7           HA       ILE   7  -9.134  -0.762  -6.244
   47    HB   ILE   7           HB       ILE   7  -8.075  -2.888  -6.569
   48   HG12  ILE   7          2HG1      ILE   7  -6.095  -1.814  -4.565
   49   HG13  ILE   7          1HG1      ILE   7  -6.944  -3.358  -4.562
   50   HG21  ILE   7          1HG2      ILE   7  -7.237  -0.695  -7.854
   51   HG22  ILE   7          2HG2      ILE   7  -6.515  -2.273  -8.161
   52   HG23  ILE   7          3HG2      ILE   7  -5.710  -1.132  -7.085
   53   HD11  ILE   7          3HD1      ILE   7  -4.863  -4.076  -5.248
   54   HD12  ILE   7          1HD1      ILE   7  -4.488  -2.556  -6.059
   55   HD13  ILE   7          2HD1      ILE   7  -5.580  -3.714  -6.817
   56    H    PHE   8           H        PHE   8  -9.221  -3.233  -4.790
   57    HA   PHE   8           HA       PHE   8  -9.383  -2.339  -1.940
   58    HB2  PHE   8           2HB      PHE   8 -11.663  -3.216  -1.829
   59    HB3  PHE   8           1HB      PHE   8 -11.559  -2.038  -3.141
   60    HD1  PHE   8           1HD      PHE   8 -11.198  -2.888  -5.517
   61    HD2  PHE   8           2HD      PHE   8 -12.291  -5.464  -2.258
   62    HE1  PHE   8           1HE      PHE   8 -11.955  -4.607  -7.133
   63    HE2  PHE   8           2HE      PHE   8 -13.048  -7.187  -3.876
   64    HZ   PHE   8           HZ       PHE   8 -12.881  -6.758  -6.313
   65    H    VAL   9           H        VAL   9  -7.322  -3.928  -2.753
   66    HA   VAL   9           HA       VAL   9  -8.001  -6.520  -1.479
   67    HB   VAL   9           HB       VAL   9  -8.298  -6.502  -4.057
   68   HG11  VAL   9          1HG1      VAL   9  -6.418  -6.428  -5.420
   69   HG12  VAL   9          2HG1      VAL   9  -5.335  -6.932  -4.123
   70   HG13  VAL   9          3HG1      VAL   9  -5.949  -5.281  -4.164
   71   HG21  VAL   9          3HG2      VAL   9  -7.482  -8.777  -4.205
   72   HG22  VAL   9          1HG2      VAL   9  -8.088  -8.529  -2.567
   73   HG23  VAL   9          2HG2      VAL   9  -6.352  -8.506  -2.880
   74    H    CYS  10           H        CYS  10  -6.289  -4.109  -0.830
   75    HA   CYS  10           HA       CYS  10  -3.517  -5.065  -1.112
   76    HB2  CYS  10           2HB      CYS  10  -4.347  -2.918   0.818
   77    HB3  CYS  10           1HB      CYS  10  -2.936  -2.982  -0.234
   78    H    THR  11           H        THR  11  -6.138  -5.373   1.127
   79    HA   THR  11           HA       THR  11  -4.513  -6.084   3.456
   80    HB   THR  11           HB       THR  11  -7.454  -6.433   2.776
   81    HG1  THR  11           1HG      THR  11  -7.671  -4.497   3.907
   82   HG21  THR  11          3HG2      THR  11  -7.144  -7.816   4.628
   83   HG22  THR  11          1HG2      THR  11  -7.530  -6.274   5.393
   84   HG23  THR  11          2HG2      THR  11  -5.853  -6.811   5.287
   85    H    SER  12           H        SER  12  -6.522  -7.852   1.083
   86    HA   SER  12           HA       SER  12  -6.148 -10.475   2.144
   87    HB2  SER  12           2HB      SER  12  -7.838  -9.797   0.469
   88    HB3  SER  12           1HB      SER  12  -6.558  -9.504  -0.705
   89    HG   SER  12           HG       SER  12  -7.079 -11.982   0.587
   90    H    TRP  13           H        TRP  13  -4.120  -8.443   0.127
   91    HA   TRP  13           HA       TRP  13  -2.310 -10.582  -0.710
   92    HB2  TRP  13           2HB      TRP  13  -2.407  -7.569  -0.798
   93    HB3  TRP  13           1HB      TRP  13  -0.960  -8.430  -1.312
   94    HD1  TRP  13           HD       TRP  13  -2.939 -10.923  -2.436
   95    HE1  TRP  13           1HE      TRP  13  -3.938 -10.571  -4.788
   96    HE3  TRP  13           3HE      TRP  13  -2.391  -5.874  -2.867
   97    HZ2  TRP  13           2HZ      TRP  13  -4.440  -8.416  -6.613
   98    HZ3  TRP  13           3HZ      TRP  13  -3.136  -4.691  -4.907
   99    HH2  TRP  13           HH       TRP  13  -4.166  -5.947  -6.780
  100    H    ALA  14           H        ALA  14  -2.075  -7.840   1.588
  101    HA   ALA  14           HA       ALA  14   0.460  -8.118   2.622
  102    HB1  ALA  14           1HB      ALA  14  -1.547  -6.607   3.267
  103    HB2  ALA  14           2HB      ALA  14  -0.413  -7.042   4.548
  104    HB3  ALA  14           3HB      ALA  14  -1.960  -7.881   4.414
  105    H    ARG  15           H        ARG  15  -2.365  -9.949   3.890
  106    HA   ARG  15           HA       ARG  15  -0.778 -11.642   5.597
  107    HB2  ARG  15           2HB      ARG  15  -2.889 -12.807   5.894
  108    HB3  ARG  15           1HB      ARG  15  -3.231 -11.081   5.776
  109    HG2  ARG  15           2HG      ARG  15  -4.470 -11.379   3.920
  110    HG3  ARG  15           1HG      ARG  15  -3.189 -12.314   3.148
  111    HD2  ARG  15           2HD      ARG  15  -5.276 -13.658   3.467
  112    HD3  ARG  15           1HD      ARG  15  -3.909 -14.335   4.361
  113    HE   ARG  15           HE       ARG  15  -4.780 -13.253   6.402
  114   HH11  ARG  15          1HH2      ARG  15  -6.908 -13.256   3.639
  115   HH12  ARG  15          2HH2      ARG  15  -8.323 -13.034   4.601
  116   HH21  ARG  15          1HH1      ARG  15  -6.636 -12.956   7.613
  117   HH22  ARG  15          2HH1      ARG  15  -8.176 -12.865   6.825
  118    H    LYS  16           H        LYS  16  -1.022 -11.572   2.237
  119    HA   LYS  16           HA       LYS  16  -0.558 -14.513   1.952
  120    HB2  LYS  16           2HB      LYS  16  -2.201 -12.776   0.627
  121    HB3  LYS  16           1HB      LYS  16  -0.779 -12.745  -0.416
  122    HG2  LYS  16           2HG      LYS  16  -0.928 -15.394  -0.043
  123    HG3  LYS  16           1HG      LYS  16  -2.632 -15.003   0.190
  124    HD2  LYS  16           2HD      LYS  16  -2.164 -13.530  -2.010
  125    HD3  LYS  16           1HD      LYS  16  -0.957 -14.792  -2.261
  126    HE2  LYS  16           2HE      LYS  16  -3.149 -16.271  -1.491
  127    HE3  LYS  16           1HE      LYS  16  -3.896 -14.964  -2.431
  128    HZ1  LYS  16           3HZ      LYS  16  -3.063 -16.906  -3.770
  129    HZ2  LYS  16           1HZ      LYS  16  -1.488 -16.438  -3.345
  130    HZ3  LYS  16           2HZ      LYS  16  -2.470 -15.388  -4.248
  131    H    GLY  17           H        GLY  17   1.414 -12.292   2.844
  132    HA2  GLY  17           2HA      GLY  17   3.708 -11.886   2.540
  133    HA3  GLY  17           1HA      GLY  17   3.740 -13.340   1.537
  134    H    PHE  18           H        PHE  18   1.992 -10.262   1.118
  135    HA   PHE  18           HA       PHE  18   3.035 -10.124  -1.671
  136    HB2  PHE  18           2HB      PHE  18   0.569  -9.706  -0.362
  137    HB3  PHE  18           1HB      PHE  18   1.106  -8.115  -0.885
  138    HD1  PHE  18           1HD      PHE  18   0.534 -11.605  -2.087
  139    HD2  PHE  18           2HD      PHE  18   0.945  -7.462  -3.147
  140    HE1  PHE  18           1HE      PHE  18  -0.173 -12.127  -4.405
  141    HE2  PHE  18           2HE      PHE  18   0.243  -7.987  -5.467
  142    HZ   PHE  18           HZ       PHE  18  -0.320 -10.317  -6.096
  143    H    CYS  19           H        CYS  19   2.987  -8.339   1.391
  144    HA   CYS  19           HA       CYS  19   4.105  -5.889   0.319
  145    HB2  CYS  19           2HB      CYS  19   4.010  -7.047   3.124
  146    HB3  CYS  19           1HB      CYS  19   4.381  -5.369   2.735
  147    H    ASP  20           H        ASP  20   5.541  -8.876   0.512
  148    HA   ASP  20           HA       ASP  20   8.219  -7.705   1.183
  149    HB2  ASP  20           2HB      ASP  20   8.774 -10.034   1.814
  150    HB3  ASP  20           1HB      ASP  20   7.366  -9.447   2.703
  151    H    VAL  21           H        VAL  21   6.427  -9.759  -1.097
  152    HA   VAL  21           HA       VAL  21   8.843  -9.763  -2.875
  153    HB   VAL  21           HB       VAL  21   7.537 -11.755  -3.890
  154   HG11  VAL  21          1HG1      VAL  21   9.269 -11.515  -1.633
  155   HG12  VAL  21          2HG1      VAL  21   9.094 -12.885  -2.729
  156   HG13  VAL  21          3HG1      VAL  21   8.092 -12.782  -1.282
  157   HG21  VAL  21          3HG2      VAL  21   5.432 -10.976  -2.557
  158   HG22  VAL  21          1HG2      VAL  21   6.194 -11.795  -1.193
  159   HG23  VAL  21          2HG2      VAL  21   5.779 -12.703  -2.646
  160    H    ARG  22           H        ARG  22   5.364  -9.127  -2.713
  161    HA   ARG  22           HA       ARG  22   5.352  -8.302  -5.574
  162    HB2  ARG  22           2HB      ARG  22   3.532  -9.486  -3.708
  163    HB3  ARG  22           1HB      ARG  22   2.840  -7.961  -4.258
  164    HG2  ARG  22           2HG      ARG  22   2.232  -9.888  -5.734
  165    HG3  ARG  22           1HG      ARG  22   3.113  -8.620  -6.587
  166    HD2  ARG  22           2HD      ARG  22   4.797 -10.048  -7.101
  167    HD3  ARG  22           1HD      ARG  22   4.945 -10.565  -5.409
  168    HE   ARG  22           HE       ARG  22   3.343 -11.893  -7.471
  169   HH11  ARG  22          1HH2      ARG  22   3.835 -11.273  -4.107
  170   HH12  ARG  22          2HH2      ARG  22   2.988 -12.691  -3.590
  171   HH21  ARG  22          1HH1      ARG  22   2.240 -13.747  -6.805
  172   HH22  ARG  22          2HH1      ARG  22   2.091 -14.093  -5.115
  173    H    GLN  23           H        GLN  23   6.081  -6.895  -2.663
  174    HA   GLN  23           HA       GLN  23   4.702  -4.533  -2.324
  175    HB2  GLN  23           2HB      GLN  23   6.967  -3.591  -1.704
  176    HB3  GLN  23           1HB      GLN  23   6.627  -5.172  -0.992
  177    HG2  GLN  23           2HG      GLN  23   8.533  -5.924  -1.926
  178    HG3  GLN  23           1HG      GLN  23   7.780  -5.710  -3.506
  179   HE21  GLN  23          1HE2      GLN  23  10.602  -5.286  -3.094
  180   HE22  GLN  23          2HE2      GLN  23  10.923  -3.636  -3.327
  181    H    ARG  24           H        ARG  24   6.726  -5.396  -5.059
  182    HA   ARG  24           HA       ARG  24   7.339  -2.930  -6.225
  183    HB2  ARG  24           2HB      ARG  24   8.122  -4.964  -7.182
  184    HB3  ARG  24           1HB      ARG  24   6.489  -5.613  -7.328
  185    HG2  ARG  24           2HG      ARG  24   6.562  -3.149  -8.762
  186    HG3  ARG  24           1HG      ARG  24   7.969  -4.090  -9.249
  187    HD2  ARG  24           2HD      ARG  24   6.289  -6.081  -9.450
  188    HD3  ARG  24           1HD      ARG  24   5.051  -4.809  -9.498
  189    HE   ARG  24           HE       ARG  24   7.273  -4.191 -11.250
  190   HH11  ARG  24          1HH2      ARG  24   4.399  -6.076 -10.893
  191   HH12  ARG  24          2HH2      ARG  24   4.084  -6.148 -12.594
  192   HH21  ARG  24          1HH1      ARG  24   6.865  -4.274 -13.466
  193   HH22  ARG  24          2HH1      ARG  24   5.473  -5.126 -14.047
  194    H    LEU  25           H        LEU  25   4.282  -4.777  -6.603
  195    HA   LEU  25           HA       LEU  25   3.059  -2.515  -8.062
  196    HB2  LEU  25           2HB      LEU  25   1.491  -4.105  -8.717
  197    HB3  LEU  25           1HB      LEU  25   2.878  -5.142  -8.396
  198    HG   LEU  25           HG       LEU  25   1.909  -5.276  -5.971
  199   HD11  LEU  25          1HD1      LEU  25  -0.149  -4.422  -5.581
  200   HD12  LEU  25          2HD1      LEU  25  -0.783  -5.061  -7.098
  201   HD13  LEU  25          3HD1      LEU  25   0.067  -3.515  -7.079
  202   HD21  LEU  25          3HD2      LEU  25   0.090  -6.963  -7.035
  203   HD22  LEU  25          1HD2      LEU  25   1.816  -7.320  -7.013
  204   HD23  LEU  25          2HD2      LEU  25   1.073  -6.661  -8.469
  205    H    MET  26           H        MET  26   2.836  -4.084  -4.896
  206    HA   MET  26           HA       MET  26   0.452  -2.855  -3.944
  207    HB2  MET  26           2HB      MET  26   2.906  -4.141  -2.864
  208    HB3  MET  26           1HB      MET  26   1.983  -3.156  -1.728
  209    HG2  MET  26           2HG      MET  26   0.324  -4.922  -3.398
  210    HG3  MET  26           1HG      MET  26   1.424  -5.777  -2.314
  211    HE1  MET  26           3HE      MET  26  -0.575  -6.772  -0.567
  212    HE2  MET  26           1HE      MET  26  -0.105  -5.847   0.865
  213    HE3  MET  26           2HE      MET  26   1.111  -6.335  -0.312
  214    H    LYS  27           H        LYS  27   3.857  -1.806  -3.659
  215    HA   LYS  27           HA       LYS  27   3.581   0.509  -2.128
  216    HB2  LYS  27           2HB      LYS  27   5.720  -0.333  -2.817
  217    HB3  LYS  27           1HB      LYS  27   5.304  -0.169  -4.523
  218    HG2  LYS  27           2HG      LYS  27   5.377   2.214  -4.413
  219    HG3  LYS  27           1HG      LYS  27   5.417   2.204  -2.649
  220    HD2  LYS  27           2HD      LYS  27   7.658   2.629  -3.744
  221    HD3  LYS  27           1HD      LYS  27   7.636   1.258  -2.634
  222    HE2  LYS  27           2HE      LYS  27   7.261  -0.267  -4.594
  223    HE3  LYS  27           1HE      LYS  27   7.464   1.135  -5.666
  224    HZ1  LYS  27           3HZ      LYS  27   9.628   0.528  -5.506
  225    HZ2  LYS  27           1HZ      LYS  27   9.435  -0.228  -4.002
  226    HZ3  LYS  27           2HZ      LYS  27   9.555   1.464  -4.091
  227    H    ARG  28           H        ARG  28   2.408  -0.043  -5.368
  228    HA   ARG  28           HA       ARG  28   2.004   2.875  -5.811
  229    HB2  ARG  28           2HB      ARG  28   2.352   0.436  -7.412
  230    HB3  ARG  28           1HB      ARG  28   1.097   1.510  -8.030
  231    HG2  ARG  28           2HG      ARG  28   3.502   2.948  -7.182
  232    HG3  ARG  28           1HG      ARG  28   3.812   1.795  -8.480
  233    HD2  ARG  28           2HD      ARG  28   3.133   4.080  -9.314
  234    HD3  ARG  28           1HD      ARG  28   2.032   2.793  -9.842
  235    HE   ARG  28           HE       ARG  28   0.369   3.694  -8.415
  236   HH11  ARG  28          1HH2      ARG  28   3.518   4.903  -7.675
  237   HH12  ARG  28          2HH2      ARG  28   2.945   6.060  -6.522
  238   HH21  ARG  28          1HH1      ARG  28  -0.390   5.207  -6.911
  239   HH22  ARG  28          2HH1      ARG  28   0.739   6.233  -6.090
  240    H    LEU  29           H        LEU  29  -0.008   0.086  -6.727
  241    HA   LEU  29           HA       LEU  29  -2.445   1.648  -6.245
  242    HB2  LEU  29           2HB      LEU  29  -3.467  -0.518  -7.132
  243    HB3  LEU  29           1HB      LEU  29  -2.332   0.303  -8.206
  244    HG   LEU  29           HG       LEU  29  -1.014  -1.576  -6.388
  245   HD11  LEU  29          1HD1      LEU  29  -3.470  -2.404  -7.662
  246   HD12  LEU  29          2HD1      LEU  29  -2.391  -3.340  -6.625
  247   HD13  LEU  29          3HD1      LEU  29  -2.107  -3.276  -8.365
  248   HD21  LEU  29          3HD2      LEU  29   0.364  -1.830  -8.205
  249   HD22  LEU  29          1HD2      LEU  29  -0.419  -0.339  -8.729
  250   HD23  LEU  29          2HD2      LEU  29  -0.981  -1.895  -9.343
  251    H    CYS  30           H        CYS  30  -0.568  -0.074  -4.083
  252    HA   CYS  30           HA       CYS  30  -2.855  -0.341  -2.247
  253    HB2  CYS  30           2HB      CYS  30  -1.677  -2.557  -3.789
  254    HB3  CYS  30           1HB      CYS  30  -1.869  -2.894  -2.067
  255    HA   PRO  31           HA       PRO  31   1.477   0.003  -0.401
  256    HB2  PRO  31           2HB      PRO  31   1.624   2.698   0.024
  257    HB3  PRO  31           1HB      PRO  31   2.202   1.926  -1.468
  258    HG2  PRO  31           2HG      PRO  31  -0.280   3.467  -0.969
  259    HG3  PRO  31           1HG      PRO  31   0.698   3.342  -2.440
  260    HD2  PRO  31           2HD      PRO  31  -1.699   2.014  -1.981
  261    HD3  PRO  31           1HD      PRO  31  -0.487   1.569  -3.204
  262    H    ARG  32           H        ARG  32  -1.643   1.460   0.292
  263    HA   ARG  32           HA       ARG  32  -1.225   2.218   3.014
  264    HB2  ARG  32           2HB      ARG  32  -3.712   2.107   3.079
  265    HB3  ARG  32           1HB      ARG  32  -3.128   2.910   1.621
  266    HG2  ARG  32           2HG      ARG  32  -4.687   1.435   0.719
  267    HG3  ARG  32           1HG      ARG  32  -3.212   0.473   0.612
  268    HD2  ARG  32           2HD      ARG  32  -4.004  -1.060   2.089
  269    HD3  ARG  32           1HD      ARG  32  -4.536   0.204   3.214
  270    HE   ARG  32           HE       ARG  32  -6.219   0.166   0.871
  271   HH11  ARG  32          1HH2      ARG  32  -5.496  -1.443   3.840
  272   HH12  ARG  32          2HH2      ARG  32  -7.082  -2.115   4.014
  273   HH21  ARG  32          1HH1      ARG  32  -8.295  -0.708   1.087
  274   HH22  ARG  32          2HH1      ARG  32  -8.663  -1.702   2.457
  275    H    SER  33           H        SER  33  -1.164  -0.901   1.655
  276    HA   SER  33           HA       SER  33  -2.190  -2.209   4.126
  277    HB2  SER  33           2HB      SER  33  -1.903  -2.819   1.287
  278    HB3  SER  33           1HB      SER  33  -1.311  -4.134   2.302
  279    HG   SER  33           HG       SER  33  -3.372  -3.791   3.491
  280    H    CYS  34           H        CYS  34   0.816  -1.490   2.476
  281    HA   CYS  34           HA       CYS  34   2.273  -3.213   4.456
  282    HB2  CYS  34           2HB      CYS  34   3.353  -2.149   1.845
  283    HB3  CYS  34           1HB      CYS  34   3.911  -3.543   2.767
  284    H    ASP  35           H        ASP  35   1.342  -0.159   4.286
  285    HA   ASP  35           HA       ASP  35   2.220   1.893   5.064
  286    HB2  ASP  35           2HB      ASP  35   2.648   0.427   6.993
  287    HB3  ASP  35           1HB      ASP  35   4.175  -0.092   6.271
  288    H    PHE  36           H        PHE  36   3.251   0.671   2.484
  289    HA   PHE  36           HA       PHE  36   6.052   1.164   2.183
  290    HB2  PHE  36           2HB      PHE  36   3.683   1.205   0.301
  291    HB3  PHE  36           1HB      PHE  36   5.350   1.337  -0.259
  292    HD1  PHE  36           2HD      PHE  36   6.348  -0.571   2.125
  293    HD2  PHE  36           1HD      PHE  36   3.377  -0.896  -0.967
  294    HE1  PHE  36           2HE      PHE  36   6.560  -3.033   2.177
  295    HE2  PHE  36           1HE      PHE  36   3.604  -3.359  -0.914
  296    HZ   PHE  36           HZ       PHE  36   5.192  -4.428   0.658
  297    H    CYS  37           H        CYS  37   3.328   3.333   2.350
  298    HA   CYS  37           HA       CYS  37   5.001   5.668   2.522
  299    HB2  CYS  37           2HB      CYS  37   4.342   6.608   0.299
  300    HB3  CYS  37           1HB      CYS  37   5.336   5.156   0.155
  301    HXT  CYS  37           2H       CYS  37   2.020   7.171   3.679
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1  -5.258  11.887   2.793
    2    HA   TYR   1           HA       TYR   1  -3.699  13.719   2.216
    3    HB2  TYR   1           2HB      TYR   1  -2.851  12.138   3.870
    4    HB3  TYR   1           1HB      TYR   1  -2.334  11.036   2.592
    5    HD1  TYR   1           2HD      TYR   1  -2.050  14.758   2.870
    6    HD2  TYR   1           1HD      TYR   1   0.015  10.999   2.631
    7    HE1  TYR   1           2HE      TYR   1   0.115  15.958   2.710
    8    HE2  TYR   1           1HE      TYR   1   2.180  12.199   2.471
    9    HH   TYR   1           HH       TYR   1   2.362  15.599   1.942
   10    H    GLY   2           H        GLY   2  -2.767  10.726   0.456
   11    HA2  GLY   2           2HA      GLY   2  -2.797  11.939  -2.125
   12    HA3  GLY   2           1HA      GLY   2  -1.155  12.025  -1.487
   13    H    CYS   3           H        CYS   3  -0.125   9.951  -0.867
   14    HA   CYS   3           HA       CYS   3  -0.906   7.804  -2.755
   15    HB2  CYS   3           2HB      CYS   3   1.340   6.940  -2.135
   16    HB3  CYS   3           1HB      CYS   3   1.407   8.626  -2.644
   17    H    LEU   4           H        LEU   4  -1.533   5.739  -2.092
   18    HA   LEU   4           HA       LEU   4  -1.284   4.680   0.555
   19    HB2  LEU   4           2HB      LEU   4  -3.864   4.937   0.999
   20    HB3  LEU   4           1HB      LEU   4  -2.786   6.275   1.379
   21    HG   LEU   4           HG       LEU   4  -3.572   6.479  -1.380
   22   HD11  LEU   4          1HD1      LEU   4  -5.516   5.092  -0.566
   23   HD12  LEU   4          2HD1      LEU   4  -5.966   6.685  -1.178
   24   HD13  LEU   4          3HD1      LEU   4  -5.895   6.396   0.561
   25   HD21  LEU   4          3HD2      LEU   4  -2.820   8.284   0.210
   26   HD22  LEU   4          1HD2      LEU   4  -4.380   8.147   1.022
   27   HD23  LEU   4          2HD2      LEU   4  -4.303   8.678  -0.659
   28    H    ASP   5           H        ASP   5  -4.074   4.677  -1.691
   29    HA   ASP   5           HA       ASP   5  -3.336   2.070  -2.756
   30    HB2  ASP   5           2HB      ASP   5  -4.880   0.785  -1.536
   31    HB3  ASP   5           1HB      ASP   5  -4.240   1.878  -0.318
   32    H    ARG   6           H        ARG   6  -4.921   1.344  -4.396
   33    HA   ARG   6           HA       ARG   6  -6.924   3.429  -5.181
   34    HB2  ARG   6           2HB      ARG   6  -4.687   2.157  -6.768
   35    HB3  ARG   6           1HB      ARG   6  -6.067   2.917  -7.563
   36    HG2  ARG   6           2HG      ARG   6  -5.527   4.923  -5.947
   37    HG3  ARG   6           1HG      ARG   6  -3.931   4.177  -5.872
   38    HD2  ARG   6           2HD      ARG   6  -3.446   4.677  -8.070
   39    HD3  ARG   6           1HD      ARG   6  -5.137   4.518  -8.586
   40    HE   ARG   6           HE       ARG   6  -3.906   6.963  -7.678
   41   HH11  ARG   6          1HH2      ARG   6  -6.777   5.051  -7.507
   42   HH12  ARG   6          2HH2      ARG   6  -7.817   6.405  -7.225
   43   HH21  ARG   6          1HH1      ARG   6  -5.256   8.737  -7.310
   44   HH22  ARG   6          2HH1      ARG   6  -6.958   8.487  -7.108
   45    H    ILE   7           H        ILE   7  -6.957   0.551  -4.004
   46    HA   ILE   7           HA       ILE   7  -9.081  -0.428  -5.834
   47    HB   ILE   7           HB       ILE   7  -7.946  -2.686  -5.857
   48   HG12  ILE   7          2HG1      ILE   7  -5.971  -1.075  -4.292
   49   HG13  ILE   7          1HG1      ILE   7  -6.409  -2.773  -4.133
   50   HG21  ILE   7          1HG2      ILE   7  -6.358  -0.384  -7.039
   51   HG22  ILE   7          2HG2      ILE   7  -7.815  -1.079  -7.750
   52   HG23  ILE   7          3HG2      ILE   7  -6.352  -2.052  -7.611
   53   HD11  ILE   7          3HD1      ILE   7  -5.237  -3.067  -6.433
   54   HD12  ILE   7          1HD1      ILE   7  -4.228  -2.859  -5.004
   55   HD13  ILE   7          2HD1      ILE   7  -4.505  -1.500  -6.091
   56    H    PHE   8           H        PHE   8  -9.375  -2.967  -4.644
   57    HA   PHE   8           HA       PHE   8  -9.746  -2.407  -1.730
   58    HB2  PHE   8           2HB      PHE   8 -11.762  -1.805  -3.142
   59    HB3  PHE   8           1HB      PHE   8 -11.874  -3.510  -3.588
   60    HD1  PHE   8           1HD      PHE   8 -11.474  -1.406  -0.502
   61    HD2  PHE   8           2HD      PHE   8 -13.271  -4.862  -2.311
   62    HE1  PHE   8           1HE      PHE   8 -12.698  -1.871   1.604
   63    HE2  PHE   8           2HE      PHE   8 -14.494  -5.329  -0.204
   64    HZ   PHE   8           HZ       PHE   8 -14.209  -3.833   1.752
   65    H    VAL   9           H        VAL   9  -7.867  -4.175  -3.168
   66    HA   VAL   9           HA       VAL   9  -8.827  -6.803  -2.088
   67    HB   VAL   9           HB       VAL   9  -9.000  -6.798  -4.514
   68   HG11  VAL   9          1HG1      VAL   9  -6.369  -6.529  -5.430
   69   HG12  VAL   9          2HG1      VAL   9  -6.564  -5.219  -4.263
   70   HG13  VAL   9          3HG1      VAL   9  -7.671  -5.356  -5.631
   71   HG21  VAL   9          3HG2      VAL   9  -6.378  -8.191  -4.057
   72   HG22  VAL   9          1HG2      VAL   9  -7.811  -8.763  -4.914
   73   HG23  VAL   9          2HG2      VAL   9  -7.796  -8.721  -3.150
   74    H    CYS  10           H        CYS  10  -6.697  -4.416  -1.552
   75    HA   CYS  10           HA       CYS  10  -4.148  -5.771  -1.456
   76    HB2  CYS  10           2HB      CYS  10  -5.214  -3.381   0.083
   77    HB3  CYS  10           1HB      CYS  10  -3.511  -3.778  -0.167
   78    H    THR  11           H        THR  11  -6.676  -5.131   0.992
   79    HA   THR  11           HA       THR  11  -5.499  -6.032   3.325
   80    HB   THR  11           HB       THR  11  -7.936  -5.285   2.656
   81    HG1  THR  11           1HG      THR  11  -7.977  -7.227   4.641
   82   HG21  THR  11          3HG2      THR  11  -8.428  -7.270   1.278
   83   HG22  THR  11          1HG2      THR  11  -9.540  -7.153   2.640
   84   HG23  THR  11          2HG2      THR  11  -8.206  -8.304   2.688
   85    H    SER  12           H        SER  12  -6.849  -8.075   0.729
   86    HA   SER  12           HA       SER  12  -6.245 -10.590   2.032
   87    HB2  SER  12           2HB      SER  12  -7.772  -9.773  -0.053
   88    HB3  SER  12           1HB      SER  12  -6.366 -10.356  -0.939
   89    HG   SER  12           HG       SER  12  -6.588 -12.313   0.341
   90    H    TRP  13           H        TRP  13  -4.547  -8.467  -0.236
   91    HA   TRP  13           HA       TRP  13  -2.400 -10.197  -0.961
   92    HB2  TRP  13           2HB      TRP  13  -2.774  -7.206  -0.698
   93    HB3  TRP  13           1HB      TRP  13  -1.269  -7.897  -1.308
   94    HD1  TRP  13           HD       TRP  13  -3.503 -10.324  -2.494
   95    HE1  TRP  13           1HE      TRP  13  -4.387  -9.830  -4.865
   96    HE3  TRP  13           3HE      TRP  13  -2.324  -5.374  -2.863
   97    HZ2  TRP  13           2HZ      TRP  13  -4.568  -7.622  -6.680
   98    HZ3  TRP  13           3HZ      TRP  13  -2.860  -4.100  -4.911
   99    HH2  TRP  13           HH       TRP  13  -3.982  -5.212  -6.821
  100    H    ALA  14           H        ALA  14  -2.364  -7.566   1.488
  101    HA   ALA  14           HA       ALA  14   0.144  -8.273   2.652
  102    HB1  ALA  14           1HB      ALA  14  -1.540  -7.131   4.623
  103    HB2  ALA  14           2HB      ALA  14  -2.074  -6.468   3.079
  104    HB3  ALA  14           3HB      ALA  14  -0.394  -6.284   3.583
  105    H    ARG  15           H        ARG  15  -2.932  -9.794   2.855
  106    HA   ARG  15           HA       ARG  15  -2.650 -10.968   5.498
  107    HB2  ARG  15           2HB      ARG  15  -4.744 -10.514   4.068
  108    HB3  ARG  15           1HB      ARG  15  -4.310 -11.973   3.179
  109    HG2  ARG  15           2HG      ARG  15  -4.737 -13.365   4.978
  110    HG3  ARG  15           1HG      ARG  15  -4.396 -12.107   6.167
  111    HD2  ARG  15           2HD      ARG  15  -6.524 -11.141   5.951
  112    HD3  ARG  15           1HD      ARG  15  -6.773 -11.824   4.332
  113    HE   ARG  15           HE       ARG  15  -6.430 -14.016   6.068
  114   HH11  ARG  15          1HH2      ARG  15  -8.576 -11.342   5.636
  115   HH12  ARG  15          2HH2      ARG  15  -9.953 -12.178   6.272
  116   HH21  ARG  15          1HH1      ARG  15  -8.219 -15.114   6.902
  117   HH22  ARG  15          2HH1      ARG  15  -9.750 -14.310   6.991
  118    H    LYS  16           H        LYS  16  -1.040 -11.586   2.572
  119    HA   LYS  16           HA       LYS  16  -0.380 -14.359   3.512
  120    HB2  LYS  16           2HB      LYS  16  -1.942 -13.940   1.426
  121    HB3  LYS  16           1HB      LYS  16  -0.416 -13.605   0.606
  122    HG2  LYS  16           2HG      LYS  16  -0.869 -15.953   0.317
  123    HG3  LYS  16           1HG      LYS  16   0.436 -15.817   1.496
  124    HD2  LYS  16           2HD      LYS  16  -1.548 -15.786   3.237
  125    HD3  LYS  16           1HD      LYS  16  -2.436 -16.567   1.929
  126    HE2  LYS  16           2HE      LYS  16  -1.411 -18.539   2.372
  127    HE3  LYS  16           1HE      LYS  16   0.184 -17.779   2.201
  128    HZ1  LYS  16           3HZ      LYS  16  -0.741 -18.661   4.530
  129    HZ2  LYS  16           1HZ      LYS  16  -1.339 -17.075   4.579
  130    HZ3  LYS  16           2HZ      LYS  16   0.329 -17.347   4.401
  131    H    GLY  17           H        GLY  17   0.793 -11.275   2.648
  132    HA2  GLY  17           2HA      GLY  17   3.198 -10.863   3.170
  133    HA3  GLY  17           1HA      GLY  17   3.553 -12.409   2.389
  134    H    PHE  18           H        PHE  18   1.117 -10.577   0.839
  135    HA   PHE  18           HA       PHE  18   2.358 -10.406  -1.672
  136    HB2  PHE  18           2HB      PHE  18  -0.051  -9.949  -0.823
  137    HB3  PHE  18           1HB      PHE  18   0.504  -8.300  -0.551
  138    HD1  PHE  18           2HD      PHE  18   1.627  -7.084  -2.539
  139    HD2  PHE  18           1HD      PHE  18  -0.757 -10.633  -2.964
  140    HE1  PHE  18           2HE      PHE  18   1.298  -6.576  -4.944
  141    HE2  PHE  18           1HE      PHE  18  -1.088 -10.122  -5.367
  142    HZ   PHE  18           HZ       PHE  18  -0.061  -8.093  -6.357
  143    H    CYS  19           H        CYS  19   2.177  -7.835   0.816
  144    HA   CYS  19           HA       CYS  19   3.678  -5.839  -0.461
  145    HB2  CYS  19           2HB      CYS  19   2.810  -5.086   1.516
  146    HB3  CYS  19           1HB      CYS  19   2.930  -6.668   2.277
  147    H    ASP  20           H        ASP  20   4.830  -8.807   1.073
  148    HA   ASP  20           HA       ASP  20   7.638  -7.934   1.032
  149    HB2  ASP  20           2HB      ASP  20   6.117  -9.676   2.505
  150    HB3  ASP  20           1HB      ASP  20   6.968 -10.780   1.420
  151    H    VAL  21           H        VAL  21   6.054 -10.827  -0.392
  152    HA   VAL  21           HA       VAL  21   8.194 -11.240  -2.285
  153    HB   VAL  21           HB       VAL  21   6.871 -13.072  -1.490
  154   HG11  VAL  21          1HG1      VAL  21   4.606 -11.281  -2.210
  155   HG12  VAL  21          2HG1      VAL  21   4.791 -12.358  -0.830
  156   HG13  VAL  21          3HG1      VAL  21   4.351 -13.012  -2.406
  157   HG21  VAL  21          3HG2      VAL  21   7.156 -13.985  -3.529
  158   HG22  VAL  21          1HG2      VAL  21   7.009 -12.404  -4.297
  159   HG23  VAL  21          2HG2      VAL  21   5.566 -13.367  -3.977
  160    H    ARG  22           H        ARG  22   5.086  -9.556  -2.480
  161    HA   ARG  22           HA       ARG  22   5.528  -9.067  -5.390
  162    HB2  ARG  22           2HB      ARG  22   3.195  -8.485  -3.544
  163    HB3  ARG  22           1HB      ARG  22   3.180  -8.317  -5.298
  164    HG2  ARG  22           2HG      ARG  22   3.454 -10.856  -3.679
  165    HG3  ARG  22           1HG      ARG  22   2.190 -10.444  -4.839
  166    HD2  ARG  22           2HD      ARG  22   5.106 -11.041  -5.445
  167    HD3  ARG  22           1HD      ARG  22   3.683 -11.955  -5.981
  168    HE   ARG  22           HE       ARG  22   4.634  -9.454  -7.146
  169   HH11  ARG  22          1HH2      ARG  22   1.921 -11.483  -6.477
  170   HH12  ARG  22          2HH2      ARG  22   0.974 -10.869  -7.789
  171   HH21  ARG  22          1HH1      ARG  22   3.409  -8.648  -8.864
  172   HH22  ARG  22          2HH1      ARG  22   1.815  -9.269  -9.141
  173    H    GLN  23           H        GLN  23   6.416  -7.646  -2.539
  174    HA   GLN  23           HA       GLN  23   5.784  -5.009  -2.363
  175    HB2  GLN  23           2HB      GLN  23   7.765  -6.575  -1.444
  176    HB3  GLN  23           1HB      GLN  23   8.696  -5.607  -2.589
  177    HG2  GLN  23           2HG      GLN  23   6.823  -4.317  -0.606
  178    HG3  GLN  23           1HG      GLN  23   8.490  -4.705  -0.178
  179   HE21  GLN  23          1HE2      GLN  23  10.099  -3.945  -2.104
  180   HE22  GLN  23          2HE2      GLN  23   9.825  -2.362  -2.652
  181    H    ARG  24           H        ARG  24   7.577  -6.423  -5.069
  182    HA   ARG  24           HA       ARG  24   8.465  -3.929  -6.219
  183    HB2  ARG  24           2HB      ARG  24   9.122  -5.326  -8.042
  184    HB3  ARG  24           1HB      ARG  24   9.282  -6.328  -6.599
  185    HG2  ARG  24           2HG      ARG  24   6.682  -6.811  -7.274
  186    HG3  ARG  24           1HG      ARG  24   7.401  -6.577  -8.867
  187    HD2  ARG  24           2HD      ARG  24   9.221  -8.182  -7.375
  188    HD3  ARG  24           1HD      ARG  24   7.602  -8.879  -7.158
  189    HE   ARG  24           HE       ARG  24   8.148  -8.077  -9.915
  190   HH11  ARG  24          1HH2      ARG  24   8.430 -10.532  -7.501
  191   HH12  ARG  24          2HH2      ARG  24   8.541 -11.825  -8.646
  192   HH21  ARG  24          1HH1      ARG  24   8.291  -9.761 -11.417
  193   HH22  ARG  24          2HH1      ARG  24   8.462 -11.391 -10.859
  194    H    LEU  25           H        LEU  25   5.450  -5.734  -6.407
  195    HA   LEU  25           HA       LEU  25   4.466  -3.980  -8.605
  196    HB2  LEU  25           2HB      LEU  25   4.137  -6.351  -8.884
  197    HB3  LEU  25           1HB      LEU  25   3.475  -6.506  -7.256
  198    HG   LEU  25           HG       LEU  25   2.015  -4.511  -8.773
  199   HD11  LEU  25          1HD1      LEU  25   2.633  -7.114 -10.076
  200   HD12  LEU  25          2HD1      LEU  25   2.219  -5.561 -10.804
  201   HD13  LEU  25          3HD1      LEU  25   0.951  -6.584 -10.129
  202   HD21  LEU  25          3HD2      LEU  25   0.156  -6.231  -8.188
  203   HD22  LEU  25          1HD2      LEU  25   0.990  -5.438  -6.853
  204   HD23  LEU  25          2HD2      LEU  25   1.423  -7.085  -7.311
  205    H    MET  26           H        MET  26   3.577  -5.007  -5.299
  206    HA   MET  26           HA       MET  26   1.246  -3.355  -5.047
  207    HB2  MET  26           2HB      MET  26   1.967  -5.359  -3.687
  208    HB3  MET  26           1HB      MET  26   3.155  -4.320  -2.900
  209    HG2  MET  26           2HG      MET  26   1.585  -3.456  -1.536
  210    HG3  MET  26           1HG      MET  26   0.551  -3.051  -2.906
  211    HE1  MET  26           3HE      MET  26   1.158  -5.155   0.109
  212    HE2  MET  26           1HE      MET  26  -0.485  -5.793   0.272
  213    HE3  MET  26           2HE      MET  26  -0.223  -4.059   0.096
  214    H    LYS  27           H        LYS  27   4.469  -2.395  -5.319
  215    HA   LYS  27           HA       LYS  27   4.764  -0.361  -3.366
  216    HB2  LYS  27           2HB      LYS  27   6.155  -1.431  -5.511
  217    HB3  LYS  27           1HB      LYS  27   5.872   0.237  -6.008
  218    HG2  LYS  27           2HG      LYS  27   6.587   0.427  -3.311
  219    HG3  LYS  27           1HG      LYS  27   7.682  -0.788  -3.973
  220    HD2  LYS  27           2HD      LYS  27   8.884   0.836  -4.959
  221    HD3  LYS  27           1HD      LYS  27   7.462   1.322  -5.883
  222    HE2  LYS  27           2HE      LYS  27   6.990   3.079  -4.479
  223    HE3  LYS  27           1HE      LYS  27   7.530   2.200  -3.035
  224    HZ1  LYS  27           3HZ      LYS  27   8.987   4.041  -4.526
  225    HZ2  LYS  27           1HZ      LYS  27   9.692   2.528  -4.826
  226    HZ3  LYS  27           2HZ      LYS  27   9.540   3.092  -3.231
  227    H    ARG  28           H        ARG  28   3.257  -0.175  -6.622
  228    HA   ARG  28           HA       ARG  28   2.588   2.679  -6.093
  229    HB2  ARG  28           2HB      ARG  28   2.690   0.863  -8.492
  230    HB3  ARG  28           1HB      ARG  28   1.868   2.422  -8.577
  231    HG2  ARG  28           2HG      ARG  28   4.705   2.129  -7.570
  232    HG3  ARG  28           1HG      ARG  28   4.321   2.446  -9.262
  233    HD2  ARG  28           2HD      ARG  28   4.225   4.650  -8.735
  234    HD3  ARG  28           1HD      ARG  28   2.777   4.288  -7.773
  235    HE   ARG  28           HE       ARG  28   5.305   3.648  -6.428
  236   HH11  ARG  28          1HH2      ARG  28   2.843   5.989  -7.066
  237   HH12  ARG  28          2HH2      ARG  28   3.152   6.893  -5.624
  238   HH21  ARG  28          1HH1      ARG  28   5.718   4.829  -4.548
  239   HH22  ARG  28          2HH1      ARG  28   4.775   6.240  -4.202
  240    H    LEU  29           H        LEU  29   0.851  -0.184  -7.414
  241    HA   LEU  29           HA       LEU  29  -1.731   0.936  -7.336
  242    HB2  LEU  29           2HB      LEU  29  -2.403  -1.550  -7.145
  243    HB3  LEU  29           1HB      LEU  29  -1.402  -1.075  -8.518
  244    HG   LEU  29           HG       LEU  29   0.416  -1.677  -6.452
  245   HD11  LEU  29          1HD1      LEU  29  -0.396  -4.158  -6.169
  246   HD12  LEU  29          2HD1      LEU  29  -1.989  -3.470  -6.482
  247   HD13  LEU  29          3HD1      LEU  29  -1.039  -2.906  -5.107
  248   HD21  LEU  29          3HD2      LEU  29  -0.444  -2.741  -9.078
  249   HD22  LEU  29          1HD2      LEU  29   0.420  -3.887  -8.055
  250   HD23  LEU  29          2HD2      LEU  29   1.176  -2.357  -8.501
  251    H    CYS  30           H        CYS  30   0.132  -0.341  -4.601
  252    HA   CYS  30           HA       CYS  30  -1.998   0.643  -2.810
  253    HB2  CYS  30           2HB      CYS  30  -2.205  -1.902  -3.767
  254    HB3  CYS  30           1HB      CYS  30  -1.295  -2.174  -2.276
  255    HA   PRO  31           HA       PRO  31   2.288   0.746  -1.016
  256    HB2  PRO  31           2HB      PRO  31   2.376   3.455  -0.665
  257    HB3  PRO  31           1HB      PRO  31   2.868   2.672  -2.183
  258    HG2  PRO  31           2HG      PRO  31   0.334   4.080  -1.510
  259    HG3  PRO  31           1HG      PRO  31   1.248   4.065  -3.027
  260    HD2  PRO  31           2HD      PRO  31  -1.015   2.590  -2.587
  261    HD3  PRO  31           1HD      PRO  31   0.246   2.162  -3.761
  262    H    ARG  32           H        ARG  32  -0.896   1.517  -0.176
  263    HA   ARG  32           HA       ARG  32  -0.676   2.791   2.354
  264    HB2  ARG  32           2HB      ARG  32  -2.764   2.628   1.188
  265    HB3  ARG  32           1HB      ARG  32  -2.664   0.869   1.124
  266    HG2  ARG  32           2HG      ARG  32  -4.172   1.275   2.894
  267    HG3  ARG  32           1HG      ARG  32  -2.643   0.984   3.717
  268    HD2  ARG  32           2HD      ARG  32  -2.757   3.770   3.069
  269    HD3  ARG  32           1HD      ARG  32  -4.280   3.321   3.860
  270    HE   ARG  32           HE       ARG  32  -1.665   3.331   5.124
  271   HH11  ARG  32          1HH2      ARG  32  -4.733   1.749   4.951
  272   HH12  ARG  32          2HH2      ARG  32  -4.679   1.188   6.588
  273   HH21  ARG  32          1HH1      ARG  32  -1.590   2.604   7.259
  274   HH22  ARG  32          2HH1      ARG  32  -2.903   1.669   7.891
  275    H    SER  33           H        SER  33  -1.336  -0.677   1.768
  276    HA   SER  33           HA       SER  33  -1.225  -1.810   4.224
  277    HB2  SER  33           2HB      SER  33   0.025  -2.599   1.603
  278    HB3  SER  33           1HB      SER  33   0.151  -3.665   3.004
  279    HG   SER  33           HG       SER  33  -1.710  -4.178   1.875
  280    H    CYS  34           H        CYS  34   1.880  -2.047   2.508
  281    HA   CYS  34           HA       CYS  34   3.303  -1.864   5.074
  282    HB2  CYS  34           2HB      CYS  34   3.868  -2.580   2.232
  283    HB3  CYS  34           1HB      CYS  34   5.235  -2.125   3.251
  284    H    ASP  35           H        ASP  35   1.970   0.557   3.562
  285    HA   ASP  35           HA       ASP  35   2.515   2.827   3.168
  286    HB2  ASP  35           2HB      ASP  35   4.356   1.961   5.417
  287    HB3  ASP  35           1HB      ASP  35   4.081   3.650   4.975
  288    H    PHE  36           H        PHE  36   3.718   1.328   1.192
  289    HA   PHE  36           HA       PHE  36   6.571   1.484   1.031
  290    HB2  PHE  36           2HB      PHE  36   4.361   1.484  -1.052
  291    HB3  PHE  36           1HB      PHE  36   6.070   1.277  -1.442
  292    HD1  PHE  36           2HD      PHE  36   6.838  -0.327   1.056
  293    HD2  PHE  36           1HD      PHE  36   3.560  -0.680  -1.702
  294    HE1  PHE  36           2HE      PHE  36   6.657  -2.743   1.575
  295    HE2  PHE  36           1HE      PHE  36   3.387  -3.095  -1.184
  296    HZ   PHE  36           HZ       PHE  36   4.935  -4.126   0.449
  297    H    CYS  37           H        CYS  37   4.204   3.944   0.998
  298    HA   CYS  37           HA       CYS  37   5.499   5.830  -0.784
  299    HB2  CYS  37           2HB      CYS  37   3.066   5.655   0.190
  300    HB3  CYS  37           1HB      CYS  37   3.738   6.558   1.551
  301    HXT  CYS  37           2H       CYS  37   7.183   7.980   1.713
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1   4.749  10.815   3.952
    2    HA   TYR   1           HA       TYR   1   2.692   9.509   3.372
    3    HB2  TYR   1           2HB      TYR   1   2.265  11.962   5.107
    4    HB3  TYR   1           1HB      TYR   1   1.180  10.572   5.074
    5    HD1  TYR   1           1HD      TYR   1   2.322   8.225   5.438
    6    HD2  TYR   1           2HD      TYR   1   4.050  11.975   6.620
    7    HE1  TYR   1           1HE      TYR   1   3.783   7.042   7.053
    8    HE2  TYR   1           2HE      TYR   1   5.512  10.792   8.236
    9    HH   TYR   1           HH       TYR   1   6.438   8.142   8.275
   10    H    GLY   2           H        GLY   2   1.812   9.635   1.299
   11    HA2  GLY   2           2HA      GLY   2  -0.434  11.334   0.834
   12    HA3  GLY   2           1HA      GLY   2   0.958  11.992  -0.027
   13    H    CYS   3           H        CYS   3  -0.927   8.995   0.375
   14    HA   CYS   3           HA       CYS   3  -0.802   8.496  -2.514
   15    HB2  CYS   3           2HB      CYS   3   1.033   7.279  -0.557
   16    HB3  CYS   3           1HB      CYS   3   0.213   6.104  -1.586
   17    H    LEU   4           H        LEU   4  -1.842   6.191  -2.899
   18    HA   LEU   4           HA       LEU   4  -3.561   5.130  -0.806
   19    HB2  LEU   4           2HB      LEU   4  -5.677   5.936  -1.916
   20    HB3  LEU   4           1HB      LEU   4  -4.715   7.231  -1.203
   21    HG   LEU   4           HG       LEU   4  -3.936   6.640  -3.962
   22   HD11  LEU   4          1HD1      LEU   4  -6.199   8.106  -4.502
   23   HD12  LEU   4          2HD1      LEU   4  -6.789   6.959  -3.300
   24   HD13  LEU   4          3HD1      LEU   4  -6.036   6.373  -4.783
   25   HD21  LEU   4          3HD2      LEU   4  -5.030   9.281  -3.337
   26   HD22  LEU   4          1HD2      LEU   4  -3.407   8.839  -3.871
   27   HD23  LEU   4          2HD2      LEU   4  -3.826   8.757  -2.160
   28    H    ASP   5           H        ASP   5  -5.057   3.468  -1.726
   29    HA   ASP   5           HA       ASP   5  -3.778   2.111  -4.036
   30    HB2  ASP   5           2HB      ASP   5  -4.929   0.170  -3.140
   31    HB3  ASP   5           1HB      ASP   5  -4.179   1.033  -1.796
   32    H    ARG   6           H        ARG   6  -5.658   0.709  -5.234
   33    HA   ARG   6           HA       ARG   6  -8.018   2.441  -5.794
   34    HB2  ARG   6           2HB      ARG   6  -5.854   1.573  -7.725
   35    HB3  ARG   6           1HB      ARG   6  -7.438   2.124  -8.273
   36    HG2  ARG   6           2HG      ARG   6  -7.122   4.273  -7.163
   37    HG3  ARG   6           1HG      ARG   6  -5.589   3.725  -6.480
   38    HD2  ARG   6           2HD      ARG   6  -4.703   4.742  -8.341
   39    HD3  ARG   6           1HD      ARG   6  -5.179   3.234  -9.148
   40    HE   ARG   6           HE       ARG   6  -7.383   5.124  -8.960
   41   HH11  ARG   6          1HH2      ARG   6  -4.554   4.182 -10.706
   42   HH12  ARG   6          2HH2      ARG   6  -5.078   4.894 -12.194
   43   HH21  ARG   6          1HH1      ARG   6  -8.075   6.059 -10.897
   44   HH22  ARG   6          2HH1      ARG   6  -7.067   5.955 -12.302
   45    H    ILE   7           H        ILE   7  -7.428  -0.343  -4.629
   46    HA   ILE   7           HA       ILE   7  -9.370  -1.801  -6.377
   47    HB   ILE   7           HB       ILE   7  -7.964  -3.728  -6.402
   48   HG12  ILE   7          2HG1      ILE   7  -6.642  -2.334  -4.095
   49   HG13  ILE   7          1HG1      ILE   7  -7.132  -4.019  -4.251
   50   HG21  ILE   7          1HG2      ILE   7  -5.922  -2.892  -7.440
   51   HG22  ILE   7          2HG2      ILE   7  -6.123  -1.328  -6.648
   52   HG23  ILE   7          3HG2      ILE   7  -7.264  -1.839  -7.891
   53   HD11  ILE   7          3HD1      ILE   7  -4.793  -2.738  -5.693
   54   HD12  ILE   7          1HD1      ILE   7  -5.281  -4.429  -5.817
   55   HD13  ILE   7          2HD1      ILE   7  -4.674  -3.795  -4.286
   56    H    PHE   8           H        PHE   8  -9.110  -4.205  -4.691
   57    HA   PHE   8           HA       PHE   8 -10.017  -3.213  -2.024
   58    HB2  PHE   8           2HB      PHE   8 -11.913  -3.421  -3.675
   59    HB3  PHE   8           1HB      PHE   8 -11.567  -5.152  -3.765
   60    HD1  PHE   8           1HD      PHE   8 -12.690  -2.404  -1.550
   61    HD2  PHE   8           2HD      PHE   8 -12.132  -6.642  -1.961
   62    HE1  PHE   8           1HE      PHE   8 -14.018  -2.778   0.510
   63    HE2  PHE   8           2HE      PHE   8 -13.461  -7.018   0.099
   64    HZ   PHE   8           HZ       PHE   8 -14.404  -5.084   1.335
   65    H    VAL   9           H        VAL   9  -8.777  -5.849  -4.015
   66    HA   VAL   9           HA       VAL   9  -8.856  -7.919  -2.018
   67    HB   VAL   9           HB       VAL   9  -8.574  -8.124  -4.519
   68   HG11  VAL   9          1HG1      VAL   9  -6.870  -6.303  -4.700
   69   HG12  VAL   9          2HG1      VAL   9  -6.345  -7.808  -5.456
   70   HG13  VAL   9          3HG1      VAL   9  -5.713  -7.349  -3.876
   71   HG21  VAL   9          3HG2      VAL   9  -6.570  -9.434  -2.662
   72   HG22  VAL   9          1HG2      VAL   9  -6.821  -9.952  -4.329
   73   HG23  VAL   9          2HG2      VAL   9  -8.138 -10.066  -3.162
   74    H    CYS  10           H        CYS  10  -7.102  -5.058  -2.033
   75    HA   CYS  10           HA       CYS  10  -4.491  -5.451  -1.344
   76    HB2  CYS  10           2HB      CYS  10  -6.621  -3.827   0.073
   77    HB3  CYS  10           1HB      CYS  10  -4.886  -3.599   0.327
   78    H    THR  11           H        THR  11  -7.141  -5.761   1.061
   79    HA   THR  11           HA       THR  11  -5.721  -6.612   3.286
   80    HB   THR  11           HB       THR  11  -8.345  -7.695   2.207
   81    HG1  THR  11           1HG      THR  11  -8.650  -5.582   2.370
   82   HG21  THR  11          3HG2      THR  11  -7.114  -7.651   4.970
   83   HG22  THR  11          1HG2      THR  11  -7.655  -9.056   4.054
   84   HG23  THR  11          2HG2      THR  11  -8.835  -7.912   4.694
   85    H    SER  12           H        SER  12  -6.834  -8.677   0.583
   86    HA   SER  12           HA       SER  12  -5.845 -11.154   1.623
   87    HB2  SER  12           2HB      SER  12  -5.891 -10.580  -1.311
   88    HB3  SER  12           1HB      SER  12  -6.548 -11.958  -0.431
   89    HG   SER  12           HG       SER  12  -8.351 -10.896  -0.122
   90    H    TRP  13           H        TRP  13  -4.172  -8.415   0.481
   91    HA   TRP  13           HA       TRP  13  -1.780  -9.985  -0.356
   92    HB2  TRP  13           2HB      TRP  13  -2.592  -7.066  -0.500
   93    HB3  TRP  13           1HB      TRP  13  -1.027  -7.664  -1.054
   94    HD1  TRP  13           HD       TRP  13  -2.958 -10.453  -1.900
   95    HE1  TRP  13           1HE      TRP  13  -3.934 -10.352  -4.285
   96    HE3  TRP  13           3HE      TRP  13  -2.409  -5.471  -2.866
   97    HZ2  TRP  13           2HZ      TRP  13  -4.415  -8.409  -6.333
   98    HZ3  TRP  13           3HZ      TRP  13  -3.125  -4.523  -5.039
   99    HH2  TRP  13           HH       TRP  13  -4.133  -5.982  -6.769
  100    H    ALA  14           H        ALA  14  -2.621  -7.260   1.828
  101    HA   ALA  14           HA       ALA  14  -0.173  -6.939   3.153
  102    HB1  ALA  14           1HB      ALA  14  -2.202  -6.702   5.091
  103    HB2  ALA  14           2HB      ALA  14  -2.991  -6.360   3.550
  104    HB3  ALA  14           3HB      ALA  14  -1.585  -5.418   4.050
  105    H    ARG  15           H        ARG  15  -2.470  -9.580   3.423
  106    HA   ARG  15           HA       ARG  15  -1.077 -10.638   5.831
  107    HB2  ARG  15           2HB      ARG  15  -3.010 -11.979   6.089
  108    HB3  ARG  15           1HB      ARG  15  -3.638 -10.466   5.438
  109    HG2  ARG  15           2HG      ARG  15  -3.365 -11.558   3.118
  110    HG3  ARG  15           1HG      ARG  15  -3.191 -13.079   3.993
  111    HD2  ARG  15           2HD      ARG  15  -5.494 -11.378   4.807
  112    HD3  ARG  15           1HD      ARG  15  -5.603 -12.140   3.208
  113    HE   ARG  15           HE       ARG  15  -4.639 -14.141   4.914
  114   HH11  ARG  15          1HH2      ARG  15  -7.394 -12.068   4.692
  115   HH12  ARG  15          2HH2      ARG  15  -8.467 -13.198   5.447
  116   HH21  ARG  15          1HH1      ARG  15  -6.033 -15.622   5.902
  117   HH22  ARG  15          2HH1      ARG  15  -7.697 -15.205   6.132
  118    H    LYS  16           H        LYS  16  -0.779 -10.821   2.492
  119    HA   LYS  16           HA       LYS  16   0.256 -13.633   2.588
  120    HB2  LYS  16           2HB      LYS  16  -1.395 -12.117   0.785
  121    HB3  LYS  16           1HB      LYS  16   0.074 -12.602  -0.063
  122    HG2  LYS  16           2HG      LYS  16  -0.449 -14.926   1.157
  123    HG3  LYS  16           1HG      LYS  16  -2.095 -14.295   1.094
  124    HD2  LYS  16           2HD      LYS  16  -0.723 -13.865  -1.429
  125    HD3  LYS  16           1HD      LYS  16  -0.714 -15.573  -0.988
  126    HE2  LYS  16           2HE      LYS  16  -3.249 -13.927  -0.817
  127    HE3  LYS  16           1HE      LYS  16  -2.767 -14.746  -2.316
  128    HZ1  LYS  16           3HZ      LYS  16  -3.630 -15.884   0.214
  129    HZ2  LYS  16           1HZ      LYS  16  -2.310 -16.659  -0.515
  130    HZ3  LYS  16           2HZ      LYS  16  -3.775 -16.504  -1.360
  131    H    GLY  17           H        GLY  17   1.647 -11.081   3.453
  132    HA2  GLY  17           2HA      GLY  17   3.763 -10.092   3.222
  133    HA3  GLY  17           1HA      GLY  17   4.247 -11.626   2.490
  134    H    PHE  18           H        PHE  18   1.636  -9.962   0.973
  135    HA   PHE  18           HA       PHE  18   2.805  -9.840  -1.581
  136    HB2  PHE  18           2HB      PHE  18   0.423  -9.114  -0.290
  137    HB3  PHE  18           1HB      PHE  18   1.002  -7.626  -1.037
  138    HD1  PHE  18           1HD      PHE  18   0.717 -11.278  -1.862
  139    HD2  PHE  18           2HD      PHE  18   0.387  -7.224  -3.245
  140    HE1  PHE  18           1HE      PHE  18  -0.037 -12.096  -4.078
  141    HE2  PHE  18           2HE      PHE  18  -0.367  -8.042  -5.461
  142    HZ   PHE  18           HZ       PHE  18  -0.580 -10.478  -5.877
  143    H    CYS  19           H        CYS  19   2.555  -7.157   0.804
  144    HA   CYS  19           HA       CYS  19   4.143  -5.323  -0.754
  145    HB2  CYS  19           2HB      CYS  19   3.162  -5.560   2.073
  146    HB3  CYS  19           1HB      CYS  19   4.376  -4.336   1.702
  147    H    ASP  20           H        ASP  20   4.976  -8.128   0.971
  148    HA   ASP  20           HA       ASP  20   7.800  -7.210   1.352
  149    HB2  ASP  20           2HB      ASP  20   5.911  -8.820   2.831
  150    HB3  ASP  20           1HB      ASP  20   7.333  -9.795   2.440
  151    H    VAL  21           H        VAL  21   5.741  -9.116  -0.607
  152    HA   VAL  21           HA       VAL  21   8.073 -10.611  -1.763
  153    HB   VAL  21           HB       VAL  21   5.096 -11.218  -1.689
  154   HG11  VAL  21          1HG1      VAL  21   7.397 -12.920  -2.693
  155   HG12  VAL  21          2HG1      VAL  21   6.272 -12.047  -3.734
  156   HG13  VAL  21          3HG1      VAL  21   5.687 -13.354  -2.704
  157   HG21  VAL  21          3HG2      VAL  21   6.091 -11.538   0.492
  158   HG22  VAL  21          1HG2      VAL  21   7.479 -12.372  -0.210
  159   HG23  VAL  21          2HG2      VAL  21   5.886 -13.130  -0.239
  160    H    ARG  22           H        ARG  22   4.823  -9.486  -2.753
  161    HA   ARG  22           HA       ARG  22   5.741  -9.014  -5.508
  162    HB2  ARG  22           2HB      ARG  22   3.136  -8.740  -3.988
  163    HB3  ARG  22           1HB      ARG  22   3.286  -8.303  -5.691
  164    HG2  ARG  22           2HG      ARG  22   4.434 -10.930  -5.081
  165    HG3  ARG  22           1HG      ARG  22   2.707 -10.837  -4.738
  166    HD2  ARG  22           2HD      ARG  22   2.443 -11.237  -6.972
  167    HD3  ARG  22           1HD      ARG  22   2.912  -9.538  -7.183
  168    HE   ARG  22           HE       ARG  22   5.196 -11.336  -6.876
  169   HH11  ARG  22          1HH2      ARG  22   2.899  -9.904  -9.022
  170   HH12  ARG  22          2HH2      ARG  22   3.910 -10.063 -10.418
  171   HH21  ARG  22          1HH1      ARG  22   6.522 -11.551  -8.692
  172   HH22  ARG  22          2HH1      ARG  22   5.958 -10.995 -10.233
  173    H    GLN  23           H        GLN  23   6.053  -7.309  -2.705
  174    HA   GLN  23           HA       GLN  23   5.309  -4.786  -2.585
  175    HB2  GLN  23           2HB      GLN  23   7.300  -5.816  -1.491
  176    HB3  GLN  23           1HB      GLN  23   8.222  -5.534  -2.972
  177    HG2  GLN  23           2HG      GLN  23   6.821  -3.136  -2.063
  178    HG3  GLN  23           1HG      GLN  23   7.959  -3.743  -0.861
  179   HE21  GLN  23          1HE2      GLN  23  10.231  -4.267  -1.782
  180   HE22  GLN  23          2HE2      GLN  23  10.827  -3.244  -2.998
  181    H    ARG  24           H        ARG  24   7.645  -5.695  -5.165
  182    HA   ARG  24           HA       ARG  24   7.954  -3.264  -6.470
  183    HB2  ARG  24           2HB      ARG  24   9.061  -5.350  -7.105
  184    HB3  ARG  24           1HB      ARG  24   7.522  -6.037  -7.628
  185    HG2  ARG  24           2HG      ARG  24   7.329  -4.187  -9.310
  186    HG3  ARG  24           1HG      ARG  24   8.946  -3.654  -8.848
  187    HD2  ARG  24           2HD      ARG  24   8.913  -6.516  -9.395
  188    HD3  ARG  24           1HD      ARG  24   8.352  -5.579 -10.794
  189    HE   ARG  24           HE       ARG  24  10.677  -4.371  -9.539
  190   HH11  ARG  24          1HH2      ARG  24   9.550  -6.814 -11.705
  191   HH12  ARG  24          2HH2      ARG  24  11.025  -6.873 -12.610
  192   HH21  ARG  24          1HH1      ARG  24  12.605  -4.441 -10.713
  193   HH22  ARG  24          2HH1      ARG  24  12.752  -5.532 -12.050
  194    H    LEU  25           H        LEU  25   5.208  -5.517  -6.791
  195    HA   LEU  25           HA       LEU  25   3.823  -3.754  -8.697
  196    HB2  LEU  25           2HB      LEU  25   3.511  -6.055  -9.068
  197    HB3  LEU  25           1HB      LEU  25   3.351  -6.407  -7.348
  198    HG   LEU  25           HG       LEU  25   1.321  -4.558  -8.458
  199   HD11  LEU  25          1HD1      LEU  25   0.007  -6.445  -9.417
  200   HD12  LEU  25          2HD1      LEU  25   1.402  -7.500  -9.195
  201   HD13  LEU  25          3HD1      LEU  25   1.492  -6.141 -10.316
  202   HD21  LEU  25          3HD2      LEU  25   0.387  -5.191  -6.508
  203   HD22  LEU  25          1HD2      LEU  25   1.710  -6.324  -6.235
  204   HD23  LEU  25          2HD2      LEU  25   0.269  -6.844  -7.110
  205    H    MET  26           H        MET  26   3.561  -4.643  -5.261
  206    HA   MET  26           HA       MET  26   1.064  -3.304  -4.757
  207    HB2  MET  26           2HB      MET  26   3.331  -4.495  -3.254
  208    HB3  MET  26           1HB      MET  26   2.351  -3.329  -2.366
  209    HG2  MET  26           2HG      MET  26   1.110  -5.590  -3.937
  210    HG3  MET  26           1HG      MET  26   1.590  -5.773  -2.250
  211    HE1  MET  26           3HE      MET  26  -0.076  -4.367  -0.094
  212    HE2  MET  26           1HE      MET  26   0.241  -5.937  -0.844
  213    HE3  MET  26           2HE      MET  26  -1.411  -5.350  -0.689
  214    H    LYS  27           H        LYS  27   4.137  -2.044  -5.492
  215    HA   LYS  27           HA       LYS  27   4.540   0.199  -3.885
  216    HB2  LYS  27           2HB      LYS  27   5.879  -0.629  -5.855
  217    HB3  LYS  27           1HB      LYS  27   4.675   0.105  -6.916
  218    HG2  LYS  27           2HG      LYS  27   5.245   2.170  -5.188
  219    HG3  LYS  27           1HG      LYS  27   6.813   1.380  -5.348
  220    HD2  LYS  27           2HD      LYS  27   6.393   1.403  -7.878
  221    HD3  LYS  27           1HD      LYS  27   5.078   2.529  -7.538
  222    HE2  LYS  27           2HE      LYS  27   6.558   4.232  -7.369
  223    HE3  LYS  27           1HE      LYS  27   7.444   3.360  -6.103
  224    HZ1  LYS  27           3HZ      LYS  27   8.748   3.758  -8.179
  225    HZ2  LYS  27           1HZ      LYS  27   7.672   2.731  -8.994
  226    HZ3  LYS  27           2HZ      LYS  27   8.629   2.125  -7.729
  227    H    ARG  28           H        ARG  28   2.684   0.325  -6.957
  228    HA   ARG  28           HA       ARG  28   1.248   2.719  -5.913
  229    HB2  ARG  28           2HB      ARG  28   0.768   3.112  -8.265
  230    HB3  ARG  28           1HB      ARG  28   2.478   2.711  -8.105
  231    HG2  ARG  28           2HG      ARG  28   1.570   0.236  -8.467
  232    HG3  ARG  28           1HG      ARG  28   0.251   1.090  -9.270
  233    HD2  ARG  28           2HD      ARG  28   3.021   1.964  -9.960
  234    HD3  ARG  28           1HD      ARG  28   2.484   0.397 -10.599
  235    HE   ARG  28           HE       ARG  28   0.352   2.225 -10.967
  236   HH11  ARG  28          1HH2      ARG  28   3.607   1.698 -11.996
  237   HH12  ARG  28          2HH2      ARG  28   3.377   2.450 -13.538
  238   HH21  ARG  28          1HH1      ARG  28   0.042   3.209 -12.976
  239   HH22  ARG  28          2HH1      ARG  28   1.363   3.305 -14.092
  240    H    LEU  29           H        LEU  29   0.689  -0.624  -6.908
  241    HA   LEU  29           HA       LEU  29  -2.090  -0.582  -7.394
  242    HB2  LEU  29           2HB      LEU  29   0.008  -2.479  -6.690
  243    HB3  LEU  29           1HB      LEU  29  -1.540  -2.939  -5.972
  244    HG   LEU  29           HG       LEU  29  -0.963  -2.415  -8.900
  245   HD11  LEU  29          1HD1      LEU  29  -0.512  -4.638  -8.745
  246   HD12  LEU  29          2HD1      LEU  29  -2.263  -4.819  -8.666
  247   HD13  LEU  29          3HD1      LEU  29  -1.312  -4.787  -7.181
  248   HD21  LEU  29          3HD2      LEU  29  -3.510  -3.255  -8.908
  249   HD22  LEU  29          1HD2      LEU  29  -3.098  -1.544  -8.795
  250   HD23  LEU  29          2HD2      LEU  29  -3.509  -2.451  -7.339
  251    H    CYS  30           H        CYS  30  -0.485  -1.266  -4.253
  252    HA   CYS  30           HA       CYS  30  -2.661   0.157  -2.846
  253    HB2  CYS  30           2HB      CYS  30  -3.134  -2.403  -3.393
  254    HB3  CYS  30           1HB      CYS  30  -2.103  -2.652  -1.980
  255    HA   PRO  31           HA       PRO  31   1.531   0.435  -0.919
  256    HB2  PRO  31           2HB      PRO  31   1.465   3.159  -0.646
  257    HB3  PRO  31           1HB      PRO  31   2.016   2.355  -2.133
  258    HG2  PRO  31           2HG      PRO  31  -0.622   3.604  -1.520
  259    HG3  PRO  31           1HG      PRO  31   0.328   3.654  -3.015
  260    HD2  PRO  31           2HD      PRO  31  -1.822   2.025  -2.677
  261    HD3  PRO  31           1HD      PRO  31  -0.448   1.623  -3.735
  262    H    ARG  32           H        ARG  32  -1.626   1.791  -0.162
  263    HA   ARG  32           HA       ARG  32  -1.519   2.892   2.316
  264    HB2  ARG  32           2HB      ARG  32  -3.482   2.076   0.821
  265    HB3  ARG  32           1HB      ARG  32  -3.410   0.605   1.792
  266    HG2  ARG  32           2HG      ARG  32  -5.010   2.053   2.850
  267    HG3  ARG  32           1HG      ARG  32  -3.557   2.081   3.851
  268    HD2  ARG  32           2HD      ARG  32  -3.459   4.115   1.751
  269    HD3  ARG  32           1HD      ARG  32  -4.853   4.328   2.830
  270    HE   ARG  32           HE       ARG  32  -2.824   3.758   4.590
  271   HH11  ARG  32          1HH2      ARG  32  -3.193   5.964   1.956
  272   HH12  ARG  32          2HH2      ARG  32  -2.129   7.151   2.633
  273   HH21  ARG  32          1HH1      ARG  32  -1.438   5.300   5.481
  274   HH22  ARG  32          2HH1      ARG  32  -1.139   6.776   4.626
  275    H    SER  33           H        SER  33  -2.107  -0.644   2.214
  276    HA   SER  33           HA       SER  33  -1.637  -1.329   4.822
  277    HB2  SER  33           2HB      SER  33  -1.001  -2.611   2.190
  278    HB3  SER  33           1HB      SER  33  -0.493  -3.424   3.672
  279    HG   SER  33           HG       SER  33  -2.637  -3.982   2.931
  280    H    CYS  34           H        CYS  34   1.076  -2.076   2.685
  281    HA   CYS  34           HA       CYS  34   3.023  -1.824   4.775
  282    HB2  CYS  34           2HB      CYS  34   4.613  -1.815   2.703
  283    HB3  CYS  34           1HB      CYS  34   3.618  -3.232   3.000
  284    H    ASP  35           H        ASP  35   1.408   0.653   3.165
  285    HA   ASP  35           HA       ASP  35   1.816   2.979   3.040
  286    HB2  ASP  35           2HB      ASP  35   2.315   2.201   5.499
  287    HB3  ASP  35           1HB      ASP  35   3.999   2.505   5.059
  288    H    PHE  36           H        PHE  36   3.241   1.327   1.154
  289    HA   PHE  36           HA       PHE  36   6.007   1.711   0.898
  290    HB2  PHE  36           2HB      PHE  36   3.695   1.587  -1.028
  291    HB3  PHE  36           1HB      PHE  36   5.354   1.725  -1.613
  292    HD1  PHE  36           2HD      PHE  36   6.017   0.033   1.245
  293    HD2  PHE  36           1HD      PHE  36   3.862  -0.591  -2.419
  294    HE1  PHE  36           2HE      PHE  36   6.328  -2.404   1.475
  295    HE2  PHE  36           1HE      PHE  36   4.181  -3.026  -2.181
  296    HZ   PHE  36           HZ       PHE  36   5.410  -3.934  -0.241
  297    H    CYS  37           H        CYS  37   3.463   4.095   0.591
  298    HA   CYS  37           HA       CYS  37   5.298   6.025  -0.722
  299    HB2  CYS  37           2HB      CYS  37   2.456   5.539  -0.490
  300    HB3  CYS  37           1HB      CYS  37   2.825   7.206  -0.034
  301    HXT  CYS  37           2H       CYS  37   6.165   7.832   2.179
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1  -3.873  13.401   1.235
    2    HA   TYR   1           HA       TYR   1  -0.940  13.799   0.876
    3    HB2  TYR   1           2HB      TYR   1  -2.383  12.626   3.168
    4    HB3  TYR   1           1HB      TYR   1  -1.076  11.616   2.549
    5    HD1  TYR   1           1HD      TYR   1  -1.398  15.348   2.661
    6    HD2  TYR   1           2HD      TYR   1   0.714  11.875   4.051
    7    HE1  TYR   1           1HE      TYR   1   0.265  16.806   3.785
    8    HE2  TYR   1           2HE      TYR   1   2.375  13.334   5.175
    9    HH   TYR   1           HH       TYR   1   2.471  16.761   4.643
   10    H    GLY   2           H        GLY   2   0.096  11.793   0.017
   11    HA2  GLY   2           2HA      GLY   2  -1.738  10.386  -1.821
   12    HA3  GLY   2           1HA      GLY   2   0.025  10.322  -1.868
   13    H    CYS   3           H        CYS   3   0.451   8.143  -1.682
   14    HA   CYS   3           HA       CYS   3   0.593   6.018  -0.650
   15    HB2  CYS   3           2HB      CYS   3   1.342   7.575   1.174
   16    HB3  CYS   3           1HB      CYS   3  -0.325   7.635   1.748
   17    H    LEU   4           H        LEU   4  -1.644   6.079  -2.091
   18    HA   LEU   4           HA       LEU   4  -3.744   4.950  -0.295
   19    HB2  LEU   4           2HB      LEU   4  -4.788   6.932  -0.771
   20    HB3  LEU   4           1HB      LEU   4  -3.729   7.265  -2.134
   21    HG   LEU   4           HG       LEU   4  -5.349   5.097  -2.942
   22   HD11  LEU   4          1HD1      LEU   4  -6.738   6.990  -1.135
   23   HD12  LEU   4          2HD1      LEU   4  -7.140   5.321  -1.540
   24   HD13  LEU   4          3HD1      LEU   4  -7.558   6.624  -2.652
   25   HD21  LEU   4          3HD2      LEU   4  -5.506   8.059  -3.549
   26   HD22  LEU   4          1HD2      LEU   4  -6.255   6.789  -4.515
   27   HD23  LEU   4          2HD2      LEU   4  -4.499   6.879  -4.388
   28    H    ASP   5           H        ASP   5  -4.217   2.899  -0.933
   29    HA   ASP   5           HA       ASP   5  -3.042   1.561  -3.124
   30    HB2  ASP   5           2HB      ASP   5  -4.784  -0.135  -2.599
   31    HB3  ASP   5           1HB      ASP   5  -4.035   0.507  -1.137
   32    H    ARG   6           H        ARG   6  -4.586   0.447  -4.864
   33    HA   ARG   6           HA       ARG   6  -6.329   2.581  -6.058
   34    HB2  ARG   6           2HB      ARG   6  -4.158   0.824  -7.173
   35    HB3  ARG   6           1HB      ARG   6  -5.433   1.413  -8.239
   36    HG2  ARG   6           2HG      ARG   6  -4.834   3.720  -6.987
   37    HG3  ARG   6           1HG      ARG   6  -3.265   2.922  -6.869
   38    HD2  ARG   6           2HD      ARG   6  -3.333   4.204  -8.952
   39    HD3  ARG   6           1HD      ARG   6  -3.395   2.479  -9.360
   40    HE   ARG   6           HE       ARG   6  -6.060   3.204  -9.014
   41   HH11  ARG   6          1HH2      ARG   6  -3.393   4.293 -10.922
   42   HH12  ARG   6          2HH2      ARG   6  -4.384   4.793 -12.251
   43   HH21  ARG   6          1HH1      ARG   6  -7.357   3.849 -10.739
   44   HH22  ARG   6          2HH1      ARG   6  -6.626   4.540 -12.148
   45    H    ILE   7           H        ILE   7  -6.242  -0.542  -4.812
   46    HA   ILE   7           HA       ILE   7  -8.818  -1.189  -6.178
   47    HB   ILE   7           HB       ILE   7  -7.895  -3.580  -6.368
   48   HG12  ILE   7          2HG1      ILE   7  -5.330  -2.047  -5.838
   49   HG13  ILE   7          1HG1      ILE   7  -5.986  -3.371  -4.875
   50   HG21  ILE   7          1HG2      ILE   7  -8.151  -1.983  -8.276
   51   HG22  ILE   7          2HG2      ILE   7  -6.797  -3.094  -8.487
   52   HG23  ILE   7          3HG2      ILE   7  -6.503  -1.427  -7.988
   53   HD11  ILE   7          3HD1      ILE   7  -5.555  -3.919  -7.769
   54   HD12  ILE   7          1HD1      ILE   7  -5.332  -4.975  -6.377
   55   HD13  ILE   7          2HD1      ILE   7  -4.113  -3.763  -6.766
   56    H    PHE   8           H        PHE   8  -9.711  -3.310  -4.993
   57    HA   PHE   8           HA       PHE   8  -9.538  -2.721  -2.079
   58    HB2  PHE   8           2HB      PHE   8 -11.706  -3.748  -1.997
   59    HB3  PHE   8           1HB      PHE   8 -11.692  -2.764  -3.464
   60    HD1  PHE   8           1HD      PHE   8 -11.160  -6.234  -2.196
   61    HD2  PHE   8           2HD      PHE   8 -12.020  -3.752  -5.597
   62    HE1  PHE   8           1HE      PHE   8 -11.641  -8.255  -3.551
   63    HE2  PHE   8           2HE      PHE   8 -12.499  -5.774  -6.950
   64    HZ   PHE   8           HZ       PHE   8 -12.312  -8.026  -5.927
   65    H    VAL   9           H        VAL   9  -8.586  -5.094  -4.411
   66    HA   VAL   9           HA       VAL   9  -8.494  -7.368  -2.592
   67    HB   VAL   9           HB       VAL   9  -8.688  -7.322  -5.138
   68   HG11  VAL   9          1HG1      VAL   9  -6.640  -7.095  -6.416
   69   HG12  VAL   9          2HG1      VAL   9  -5.689  -6.912  -4.942
   70   HG13  VAL   9          3HG1      VAL   9  -6.830  -5.653  -5.417
   71   HG21  VAL   9          3HG2      VAL   9  -8.203  -9.388  -3.897
   72   HG22  VAL   9          1HG2      VAL   9  -6.486  -8.986  -3.870
   73   HG23  VAL   9          2HG2      VAL   9  -7.282  -9.354  -5.400
   74    H    CYS  10           H        CYS  10  -6.739  -4.566  -2.552
   75    HA   CYS  10           HA       CYS  10  -4.058  -5.671  -2.192
   76    HB2  CYS  10           2HB      CYS  10  -3.644  -3.524  -2.692
   77    HB3  CYS  10           1HB      CYS  10  -5.355  -3.147  -2.589
   78    H    THR  11           H        THR  11  -6.831  -5.359  -0.219
   79    HA   THR  11           HA       THR  11  -5.475  -5.019   2.308
   80    HB   THR  11           HB       THR  11  -8.176  -6.283   1.755
   81    HG1  THR  11           1HG      THR  11  -8.731  -3.913   2.121
   82   HG21  THR  11          3HG2      THR  11  -8.637  -4.917   3.921
   83   HG22  THR  11          1HG2      THR  11  -6.881  -4.889   4.088
   84   HG23  THR  11          2HG2      THR  11  -7.740  -6.429   4.057
   85    H    SER  12           H        SER  12  -6.644  -7.826   0.451
   86    HA   SER  12           HA       SER  12  -5.955  -9.801   2.456
   87    HB2  SER  12           2HB      SER  12  -6.777  -9.679  -0.411
   88    HB3  SER  12           1HB      SER  12  -6.006 -11.166   0.131
   89    HG   SER  12           HG       SER  12  -8.484 -10.581   0.418
   90    H    TRP  13           H        TRP  13  -4.281  -8.311  -0.280
   91    HA   TRP  13           HA       TRP  13  -2.024 -10.025  -0.498
   92    HB2  TRP  13           2HB      TRP  13  -2.565  -7.082  -0.932
   93    HB3  TRP  13           1HB      TRP  13  -0.978  -7.765  -1.270
   94    HD1  TRP  13           HD       TRP  13  -2.619 -10.616  -2.167
   95    HE1  TRP  13           1HE      TRP  13  -3.447 -10.672  -4.607
   96    HE3  TRP  13           3HE      TRP  13  -2.491  -5.628  -3.263
   97    HZ2  TRP  13           2HZ      TRP  13  -3.985  -8.846  -6.742
   98    HZ3  TRP  13           3HZ      TRP  13  -3.170  -4.814  -5.503
   99    HH2  TRP  13           HH       TRP  13  -3.918  -6.412  -7.240
  100    H    ALA  14           H        ALA  14  -2.325  -6.970   1.344
  101    HA   ALA  14           HA       ALA  14   0.165  -6.983   2.646
  102    HB1  ALA  14           1HB      ALA  14  -2.089  -5.447   2.601
  103    HB2  ALA  14           2HB      ALA  14  -0.770  -5.207   3.747
  104    HB3  ALA  14           3HB      ALA  14  -2.195  -6.130   4.225
  105    H    ARG  15           H        ARG  15  -2.881  -8.543   3.688
  106    HA   ARG  15           HA       ARG  15  -1.655  -9.640   6.114
  107    HB2  ARG  15           2HB      ARG  15  -4.200  -9.044   5.186
  108    HB3  ARG  15           1HB      ARG  15  -4.172 -10.806   5.158
  109    HG2  ARG  15           2HG      ARG  15  -4.844 -10.395   7.352
  110    HG3  ARG  15           1HG      ARG  15  -3.097 -10.540   7.546
  111    HD2  ARG  15           2HD      ARG  15  -2.840  -8.114   7.529
  112    HD3  ARG  15           1HD      ARG  15  -4.565  -7.903   7.170
  113    HE   ARG  15           HE       ARG  15  -4.185  -9.544   9.522
  114   HH11  ARG  15          1HH2      ARG  15  -4.146  -6.310   8.303
  115   HH12  ARG  15          2HH2      ARG  15  -4.562  -5.595   9.824
  116   HH21  ARG  15          1HH1      ARG  15  -4.731  -8.621  11.509
  117   HH22  ARG  15          2HH1      ARG  15  -4.895  -6.901  11.635
  118    H    LYS  16           H        LYS  16  -1.322 -10.467   2.916
  119    HA   LYS  16           HA       LYS  16  -1.070 -13.391   3.552
  120    HB2  LYS  16           2HB      LYS  16  -2.810 -12.485   1.866
  121    HB3  LYS  16           1HB      LYS  16  -1.429 -12.153   0.821
  122    HG2  LYS  16           2HG      LYS  16  -2.130 -14.320   0.177
  123    HG3  LYS  16           1HG      LYS  16  -0.755 -14.607   1.244
  124    HD2  LYS  16           2HD      LYS  16  -2.340 -16.097   2.096
  125    HD3  LYS  16           1HD      LYS  16  -2.575 -14.689   3.130
  126    HE2  LYS  16           2HE      LYS  16  -4.231 -14.151   0.963
  127    HE3  LYS  16           1HE      LYS  16  -4.432 -15.896   1.216
  128    HZ1  LYS  16           3HZ      LYS  16  -5.836 -15.129   2.823
  129    HZ2  LYS  16           1HZ      LYS  16  -4.985 -13.679   3.046
  130    HZ3  LYS  16           2HZ      LYS  16  -4.394 -15.121   3.720
  131    H    GLY  17           H        GLY  17   0.985 -11.181   3.858
  132    HA2  GLY  17           2HA      GLY  17   3.259 -10.843   3.363
  133    HA3  GLY  17           1HA      GLY  17   3.276 -12.560   2.940
  134    H    PHE  18           H        PHE  18   1.552  -9.826   1.444
  135    HA   PHE  18           HA       PHE  18   2.648 -10.671  -1.202
  136    HB2  PHE  18           2HB      PHE  18   0.132 -10.137  -0.326
  137    HB3  PHE  18           1HB      PHE  18   0.606  -8.539  -0.898
  138    HD1  PHE  18           2HD      PHE  18   1.104 -12.082  -2.057
  139    HD2  PHE  18           1HD      PHE  18  -0.060  -8.073  -3.060
  140    HE1  PHE  18           2HE      PHE  18   0.688 -12.789  -4.398
  141    HE2  PHE  18           1HE      PHE  18  -0.479  -8.778  -5.400
  142    HZ   PHE  18           HZ       PHE  18  -0.106 -11.136  -6.070
  143    H    CYS  19           H        CYS  19   2.545  -7.996   1.085
  144    HA   CYS  19           HA       CYS  19   3.378  -5.806  -0.427
  145    HB2  CYS  19           2HB      CYS  19   4.226  -6.738   2.332
  146    HB3  CYS  19           1HB      CYS  19   4.482  -5.104   1.721
  147    H    ASP  20           H        ASP  20   5.656  -7.915   1.367
  148    HA   ASP  20           HA       ASP  20   7.979  -6.930  -0.027
  149    HB2  ASP  20           2HB      ASP  20   7.236  -8.756   2.090
  150    HB3  ASP  20           1HB      ASP  20   8.478  -9.487   1.067
  151    H    VAL  21           H        VAL  21   5.884  -9.772  -0.501
  152    HA   VAL  21           HA       VAL  21   7.564 -11.074  -2.452
  153    HB   VAL  21           HB       VAL  21   4.602 -11.170  -1.809
  154   HG11  VAL  21          1HG1      VAL  21   6.169 -13.226  -3.378
  155   HG12  VAL  21          2HG1      VAL  21   5.267 -11.932  -4.168
  156   HG13  VAL  21          3HG1      VAL  21   4.421 -13.118  -3.172
  157   HG21  VAL  21          3HG2      VAL  21   5.972 -11.926   0.029
  158   HG22  VAL  21          1HG2      VAL  21   6.996 -12.870  -1.053
  159   HG23  VAL  21          2HG2      VAL  21   5.328 -13.363  -0.764
  160    H    ARG  22           H        ARG  22   4.632  -9.047  -2.816
  161    HA   ARG  22           HA       ARG  22   5.203  -8.792  -5.729
  162    HB2  ARG  22           2HB      ARG  22   2.950  -9.421  -4.492
  163    HB3  ARG  22           1HB      ARG  22   2.803  -7.670  -4.323
  164    HG2  ARG  22           2HG      ARG  22   1.940  -7.687  -6.411
  165    HG3  ARG  22           1HG      ARG  22   3.589  -7.984  -6.963
  166    HD2  ARG  22           2HD      ARG  22   2.870 -10.518  -6.296
  167    HD3  ARG  22           1HD      ARG  22   1.297  -9.864  -6.793
  168    HE   ARG  22           HE       ARG  22   3.024  -8.941  -8.747
  169   HH11  ARG  22          1HH2      ARG  22   2.265 -12.020  -7.372
  170   HH12  ARG  22          2HH2      ARG  22   2.609 -12.896  -8.825
  171   HH21  ARG  22          1HH1      ARG  22   3.468 -10.078 -10.647
  172   HH22  ARG  22          2HH1      ARG  22   3.287 -11.801 -10.675
  173    H    GLN  23           H        GLN  23   6.046  -7.199  -2.973
  174    HA   GLN  23           HA       GLN  23   5.645  -4.608  -2.741
  175    HB2  GLN  23           2HB      GLN  23   7.635  -5.892  -1.936
  176    HB3  GLN  23           1HB      GLN  23   8.374  -5.668  -3.525
  177    HG2  GLN  23           2HG      GLN  23   7.364  -3.193  -2.261
  178    HG3  GLN  23           1HG      GLN  23   8.724  -3.953  -1.432
  179   HE21  GLN  23          1HE2      GLN  23  10.786  -3.685  -2.362
  180   HE22  GLN  23          2HE2      GLN  23  11.063  -2.993  -3.887
  181    H    ARG  24           H        ARG  24   7.764  -5.565  -5.471
  182    HA   ARG  24           HA       ARG  24   7.992  -3.140  -6.794
  183    HB2  ARG  24           2HB      ARG  24   9.023  -5.355  -7.360
  184    HB3  ARG  24           1HB      ARG  24   7.485  -5.844  -8.071
  185    HG2  ARG  24           2HG      ARG  24   9.181  -4.927  -9.720
  186    HG3  ARG  24           1HG      ARG  24   7.612  -4.122  -9.739
  187    HD2  ARG  24           2HD      ARG  24   9.634  -2.556  -9.736
  188    HD3  ARG  24           1HD      ARG  24   8.470  -2.270  -8.426
  189    HE   ARG  24           HE       ARG  24  10.532  -4.218  -7.727
  190   HH11  ARG  24          1HH2      ARG  24   9.634  -0.887  -7.906
  191   HH12  ARG  24          2HH2      ARG  24  10.740  -0.388  -6.670
  192   HH21  ARG  24          1HH1      ARG  24  11.973  -3.580  -6.108
  193   HH22  ARG  24          2HH1      ARG  24  12.061  -1.910  -5.653
  194    H    LEU  25           H        LEU  25   5.275  -5.445  -7.103
  195    HA   LEU  25           HA       LEU  25   3.824  -3.545  -8.858
  196    HB2  LEU  25           2HB      LEU  25   3.809  -5.861  -9.494
  197    HB3  LEU  25           1HB      LEU  25   3.370  -6.368  -7.862
  198    HG   LEU  25           HG       LEU  25   1.477  -4.435  -8.936
  199   HD11  LEU  25          1HD1      LEU  25   0.809  -6.842 -10.319
  200   HD12  LEU  25          2HD1      LEU  25   2.457  -6.407 -10.771
  201   HD13  LEU  25          3HD1      LEU  25   1.144  -5.255 -11.008
  202   HD21  LEU  25          3HD2      LEU  25  -0.118  -6.041  -8.104
  203   HD22  LEU  25          1HD2      LEU  25   1.219  -5.992  -6.954
  204   HD23  LEU  25          2HD2      LEU  25   1.092  -7.323  -8.104
  205    H    MET  26           H        MET  26   3.673  -4.885  -5.589
  206    HA   MET  26           HA       MET  26   1.062  -3.695  -4.996
  207    HB2  MET  26           2HB      MET  26   2.490  -5.800  -4.071
  208    HB3  MET  26           1HB      MET  26   2.916  -4.598  -2.853
  209    HG2  MET  26           2HG      MET  26   0.410  -4.118  -2.667
  210    HG3  MET  26           1HG      MET  26   0.159  -5.589  -3.601
  211    HE1  MET  26           3HE      MET  26  -0.857  -6.337   0.031
  212    HE2  MET  26           1HE      MET  26  -1.223  -5.259  -1.322
  213    HE3  MET  26           2HE      MET  26  -0.267  -4.677   0.039
  214    H    LYS  27           H        LYS  27   3.798  -2.112  -5.599
  215    HA   LYS  27           HA       LYS  27   3.882  -0.413  -3.163
  216    HB2  LYS  27           2HB      LYS  27   5.848   0.540  -4.261
  217    HB3  LYS  27           1HB      LYS  27   5.932  -1.219  -4.349
  218    HG2  LYS  27           2HG      LYS  27   6.213  -0.964  -6.575
  219    HG3  LYS  27           1HG      LYS  27   4.508  -0.523  -6.634
  220    HD2  LYS  27           2HD      LYS  27   4.953   1.714  -6.859
  221    HD3  LYS  27           1HD      LYS  27   6.394   1.634  -5.846
  222    HE2  LYS  27           2HE      LYS  27   7.286   0.158  -7.908
  223    HE3  LYS  27           1HE      LYS  27   6.127   1.178  -8.782
  224    HZ1  LYS  27           3HZ      LYS  27   7.136   3.123  -7.989
  225    HZ2  LYS  27           1HZ      LYS  27   8.434   2.136  -8.452
  226    HZ3  LYS  27           2HZ      LYS  27   8.033   2.291  -6.809
  227    H    ARG  28           H        ARG  28   2.688  -0.327  -6.478
  228    HA   ARG  28           HA       ARG  28   2.069   2.573  -6.257
  229    HB2  ARG  28           2HB      ARG  28   2.645   0.592  -8.322
  230    HB3  ARG  28           1HB      ARG  28   1.238   1.578  -8.726
  231    HG2  ARG  28           2HG      ARG  28   3.429   3.145  -7.594
  232    HG3  ARG  28           1HG      ARG  28   3.883   2.318  -9.084
  233    HD2  ARG  28           2HD      ARG  28   1.730   3.226 -10.112
  234    HD3  ARG  28           1HD      ARG  28   1.588   4.258  -8.676
  235    HE   ARG  28           HE       ARG  28   3.583   4.549 -10.800
  236   HH11  ARG  28          1HH2      ARG  28   2.780   5.058  -7.478
  237   HH12  ARG  28          2HH2      ARG  28   3.829   6.423  -7.300
  238   HH21  ARG  28          1HH1      ARG  28   4.956   6.325 -10.578
  239   HH22  ARG  28          2HH1      ARG  28   5.063   7.139  -9.052
  240    H    LEU  29           H        LEU  29   0.527  -0.397  -5.635
  241    HA   LEU  29           HA       LEU  29  -2.149   0.887  -6.067
  242    HB2  LEU  29           2HB      LEU  29  -2.681  -1.784  -6.141
  243    HB3  LEU  29           1HB      LEU  29  -2.346  -0.809  -7.572
  244    HG   LEU  29           HG       LEU  29  -0.089  -2.090  -6.039
  245   HD11  LEU  29          1HD1      LEU  29  -1.785  -3.842  -6.576
  246   HD12  LEU  29          2HD1      LEU  29  -0.274  -4.061  -7.459
  247   HD13  LEU  29          3HD1      LEU  29  -1.680  -3.376  -8.273
  248   HD21  LEU  29          3HD2      LEU  29   0.974  -0.900  -7.661
  249   HD22  LEU  29          1HD2      LEU  29  -0.513  -0.666  -8.579
  250   HD23  LEU  29          2HD2      LEU  29   0.410  -2.158  -8.761
  251    H    CYS  30           H        CYS  30  -0.036  -0.220  -3.689
  252    HA   CYS  30           HA       CYS  30  -2.199  -0.178  -1.687
  253    HB2  CYS  30           2HB      CYS  30  -2.128  -2.494  -2.720
  254    HB3  CYS  30           1HB      CYS  30  -0.505  -2.661  -2.048
  255    HA   PRO  31           HA       PRO  31   2.191   0.869  -0.350
  256    HB2  PRO  31           2HB      PRO  31   2.016   3.601  -0.407
  257    HB3  PRO  31           1HB      PRO  31   2.575   2.641  -1.792
  258    HG2  PRO  31           2HG      PRO  31  -0.058   3.923  -1.317
  259    HG3  PRO  31           1HG      PRO  31   0.831   3.690  -2.831
  260    HD2  PRO  31           2HD      PRO  31  -1.310   2.154  -2.010
  261    HD3  PRO  31           1HD      PRO  31  -0.082   1.639  -3.189
  262    H    ARG  32           H        ARG  32  -0.987   1.246   0.560
  263    HA   ARG  32           HA       ARG  32  -0.446   2.711   3.079
  264    HB2  ARG  32           2HB      ARG  32  -2.447   3.447   2.222
  265    HB3  ARG  32           1HB      ARG  32  -2.750   1.941   1.365
  266    HG2  ARG  32           2HG      ARG  32  -4.006   1.112   3.063
  267    HG3  ARG  32           1HG      ARG  32  -2.854   1.639   4.289
  268    HD2  ARG  32           2HD      ARG  32  -4.409   3.791   2.935
  269    HD3  ARG  32           1HD      ARG  32  -5.288   2.759   4.084
  270    HE   ARG  32           HE       ARG  32  -2.845   3.352   5.321
  271   HH11  ARG  32          1HH2      ARG  32  -5.587   5.042   4.081
  272   HH12  ARG  32          2HH2      ARG  32  -5.422   6.373   5.177
  273   HH21  ARG  32          1HH1      ARG  32  -2.615   5.072   6.747
  274   HH22  ARG  32          2HH1      ARG  32  -3.734   6.392   6.686
  275    H    SER  33           H        SER  33  -0.892  -0.571   1.931
  276    HA   SER  33           HA       SER  33  -1.298  -1.555   4.718
  277    HB2  SER  33           2HB      SER  33  -2.243  -2.253   2.152
  278    HB3  SER  33           1HB      SER  33  -1.177  -3.571   2.639
  279    HG   SER  33           HG       SER  33  -2.365  -3.608   4.637
  280    H    CYS  34           H        CYS  34   1.263  -0.919   2.625
  281    HA   CYS  34           HA       CYS  34   2.957  -3.002   3.971
  282    HB2  CYS  34           2HB      CYS  34   3.325  -1.856   1.196
  283    HB3  CYS  34           1HB      CYS  34   4.116  -3.275   1.884
  284    H    ASP  35           H        ASP  35   2.345   0.198   3.989
  285    HA   ASP  35           HA       ASP  35   3.615   2.072   4.670
  286    HB2  ASP  35           2HB      ASP  35   4.420  -0.013   6.114
  287    HB3  ASP  35           1HB      ASP  35   5.914   0.226   5.201
  288    H    PHE  36           H        PHE  36   3.935   0.806   1.848
  289    HA   PHE  36           HA       PHE  36   6.632   1.165   0.971
  290    HB2  PHE  36           2HB      PHE  36   3.949   1.430  -0.415
  291    HB3  PHE  36           1HB      PHE  36   5.492   1.410  -1.271
  292    HD1  PHE  36           2HD      PHE  36   6.816  -0.597   0.756
  293    HD2  PHE  36           1HD      PHE  36   3.131  -0.622  -1.452
  294    HE1  PHE  36           2HE      PHE  36   6.804  -3.071   0.804
  295    HE2  PHE  36           1HE      PHE  36   3.122  -3.099  -1.404
  296    HZ   PHE  36           HZ       PHE  36   4.959  -4.325  -0.276
  297    H    CYS  37           H        CYS  37   3.906   3.448   1.192
  298    HA   CYS  37           HA       CYS  37   5.342   5.671  -0.001
  299    HB2  CYS  37           2HB      CYS  37   3.393   6.927   0.776
  300    HB3  CYS  37           1HB      CYS  37   2.854   5.370   0.140
  301    HXT  CYS  37           2H       CYS  37   6.195   7.534   3.090
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1  -4.730  12.373   1.478
    2    HA   TYR   1           HA       TYR   1  -3.924  11.495  -0.658
    3    HB2  TYR   1           2HB      TYR   1  -2.633  13.564  -1.548
    4    HB3  TYR   1           1HB      TYR   1  -4.264  13.825  -0.932
    5    HD1  TYR   1           2HD      TYR   1  -0.663  14.261  -0.245
    6    HD2  TYR   1           1HD      TYR   1  -4.654  14.973   1.175
    7    HE1  TYR   1           2HE      TYR   1   0.218  15.860   1.436
    8    HE2  TYR   1           1HE      TYR   1  -3.773  16.569   2.855
    9    HH   TYR   1           HH       TYR   1  -1.650  18.055   3.038
   10    H    GLY   2           H        GLY   2  -1.727  11.604  -2.056
   11    HA2  GLY   2           2HA      GLY   2   0.592  11.104  -2.214
   12    HA3  GLY   2           1HA      GLY   2   0.698  11.168  -0.454
   13    H    CYS   3           H        CYS   3   0.850   9.087  -3.035
   14    HA   CYS   3           HA       CYS   3   0.735   6.736  -3.237
   15    HB2  CYS   3           2HB      CYS   3   1.167   6.977  -0.244
   16    HB3  CYS   3           1HB      CYS   3   1.654   5.631  -1.277
   17    H    LEU   4           H        LEU   4  -1.386   6.178  -3.755
   18    HA   LEU   4           HA       LEU   4  -3.182   5.514  -1.451
   19    HB2  LEU   4           2HB      LEU   4  -3.635   7.206  -3.895
   20    HB3  LEU   4           1HB      LEU   4  -4.996   6.342  -3.176
   21    HG   LEU   4           HG       LEU   4  -3.593   7.502  -1.021
   22   HD11  LEU   4          1HD1      LEU   4  -3.321   9.069  -3.457
   23   HD12  LEU   4          2HD1      LEU   4  -2.604   9.344  -1.871
   24   HD13  LEU   4          3HD1      LEU   4  -4.221   9.953  -2.225
   25   HD21  LEU   4          3HD2      LEU   4  -6.024   7.134  -1.167
   26   HD22  LEU   4          1HD2      LEU   4  -6.142   8.366  -2.422
   27   HD23  LEU   4          2HD2      LEU   4  -5.677   8.819  -0.783
   28    H    ASP   5           H        ASP   5  -4.064   3.513  -1.622
   29    HA   ASP   5           HA       ASP   5  -3.239   1.563  -3.464
   30    HB2  ASP   5           2HB      ASP   5  -5.042   0.264  -2.507
   31    HB3  ASP   5           1HB      ASP   5  -4.417   1.318  -1.235
   32    H    ARG   6           H        ARG   6  -4.118   0.759  -5.409
   33    HA   ARG   6           HA       ARG   6  -5.924   2.644  -6.850
   34    HB2  ARG   6           2HB      ARG   6  -4.158   0.324  -7.691
   35    HB3  ARG   6           1HB      ARG   6  -5.115   1.291  -8.812
   36    HG2  ARG   6           2HG      ARG   6  -3.279   2.693  -6.906
   37    HG3  ARG   6           1HG      ARG   6  -2.593   1.917  -8.335
   38    HD2  ARG   6           2HD      ARG   6  -4.736   3.232  -9.435
   39    HD3  ARG   6           1HD      ARG   6  -4.247   4.357  -8.151
   40    HE   ARG   6           HE       ARG   6  -1.924   3.352  -9.515
   41   HH11  ARG   6          1HH2      ARG   6  -4.614   5.499  -9.825
   42   HH12  ARG   6          2HH2      ARG   6  -3.800   6.564 -10.920
   43   HH21  ARG   6          1HH1      ARG   6  -0.857   4.732 -10.940
   44   HH22  ARG   6          2HH1      ARG   6  -1.674   6.131 -11.551
   45    H    ILE   7           H        ILE   7  -6.238  -0.099  -4.990
   46    HA   ILE   7           HA       ILE   7  -8.816  -0.803  -6.307
   47    HB   ILE   7           HB       ILE   7  -8.095  -3.260  -5.909
   48   HG12  ILE   7          2HG1      ILE   7  -5.430  -3.222  -6.332
   49   HG13  ILE   7          1HG1      ILE   7  -5.569  -1.779  -5.335
   50   HG21  ILE   7          1HG2      ILE   7  -7.649  -1.437  -8.066
   51   HG22  ILE   7          2HG2      ILE   7  -7.960  -3.170  -8.142
   52   HG23  ILE   7          3HG2      ILE   7  -6.304  -2.575  -8.011
   53   HD11  ILE   7          3HD1      ILE   7  -7.167  -3.990  -4.299
   54   HD12  ILE   7          1HD1      ILE   7  -5.973  -2.988  -3.474
   55   HD13  ILE   7          2HD1      ILE   7  -5.452  -4.393  -4.405
   56    H    PHE   8           H        PHE   8  -9.386  -3.013  -4.613
   57    HA   PHE   8           HA       PHE   8  -9.273  -1.783  -1.885
   58    HB2  PHE   8           2HB      PHE   8 -11.613  -2.197  -1.627
   59    HB3  PHE   8           1HB      PHE   8 -11.431  -1.473  -3.228
   60    HD1  PHE   8           1HD      PHE   8 -11.131  -3.131  -5.229
   61    HD2  PHE   8           2HD      PHE   8 -12.728  -4.249  -1.400
   62    HE1  PHE   8           1HE      PHE   8 -12.200  -5.119  -6.255
   63    HE2  PHE   8           2HE      PHE   8 -13.794  -6.238  -2.428
   64    HZ   PHE   8           HZ       PHE   8 -13.530  -6.673  -4.855
   65    H    VAL   9           H        VAL   9  -7.401  -3.639  -2.309
   66    HA   VAL   9           HA       VAL   9  -8.347  -5.925  -0.705
   67    HB   VAL   9           HB       VAL   9  -8.567  -6.173  -3.375
   68   HG11  VAL   9          1HG1      VAL   9  -5.883  -5.857  -3.270
   69   HG12  VAL   9          2HG1      VAL   9  -6.681  -6.844  -4.494
   70   HG13  VAL   9          3HG1      VAL   9  -5.980  -7.606  -3.066
   71   HG21  VAL   9          3HG2      VAL   9  -8.793  -8.469  -2.990
   72   HG22  VAL   9          1HG2      VAL   9  -8.964  -7.814  -1.362
   73   HG23  VAL   9          2HG2      VAL   9  -7.429  -8.515  -1.872
   74    H    CYS  10           H        CYS  10  -6.187  -3.598  -0.916
   75    HA   CYS  10           HA       CYS  10  -3.594  -4.717  -0.976
   76    HB2  CYS  10           2HB      CYS  10  -4.684  -2.544   0.849
   77    HB3  CYS  10           1HB      CYS  10  -2.997  -2.749   0.366
   78    H    THR  11           H        THR  11  -6.133  -5.050   1.379
   79    HA   THR  11           HA       THR  11  -4.500  -5.845   3.636
   80    HB   THR  11           HB       THR  11  -7.266  -6.886   3.297
   81    HG1  THR  11           1HG      THR  11  -8.176  -4.973   3.043
   82   HG21  THR  11          3HG2      THR  11  -6.647  -6.983   5.508
   83   HG22  THR  11          1HG2      THR  11  -7.303  -5.346   5.493
   84   HG23  THR  11          2HG2      THR  11  -5.562  -5.599   5.374
   85    H    SER  12           H        SER  12  -6.746  -7.863   1.711
   86    HA   SER  12           HA       SER  12  -5.913 -10.394   2.445
   87    HB2  SER  12           2HB      SER  12  -7.672 -10.385   0.947
   88    HB3  SER  12           1HB      SER  12  -6.961  -9.110  -0.036
   89    HG   SER  12           HG       SER  12  -6.020 -11.787   0.131
   90    H    TRP  13           H        TRP  13  -4.386  -8.315  -0.027
   91    HA   TRP  13           HA       TRP  13  -2.367 -10.137  -0.883
   92    HB2  TRP  13           2HB      TRP  13  -2.768  -7.162  -0.787
   93    HB3  TRP  13           1HB      TRP  13  -1.202  -7.791  -1.292
   94    HD1  TRP  13           HD       TRP  13  -3.085 -10.435  -2.529
   95    HE1  TRP  13           1HE      TRP  13  -3.940 -10.083  -4.932
   96    HE3  TRP  13           3HE      TRP  13  -2.532  -5.372  -2.933
   97    HZ2  TRP  13           2HZ      TRP  13  -4.338  -7.941  -6.785
   98    HZ3  TRP  13           3HZ      TRP  13  -3.156  -4.204  -5.028
   99    HH2  TRP  13           HH       TRP  13  -4.057  -5.479  -6.951
  100    H    ALA  14           H        ALA  14  -2.244  -7.582   1.627
  101    HA   ALA  14           HA       ALA  14   0.429  -8.149   2.504
  102    HB1  ALA  14           1HB      ALA  14  -1.958  -7.002   3.995
  103    HB2  ALA  14           2HB      ALA  14  -0.885  -6.079   2.945
  104    HB3  ALA  14           3HB      ALA  14  -0.266  -6.784   4.438
  105    H    ARG  15           H        ARG  15  -2.537  -9.840   2.927
  106    HA   ARG  15           HA       ARG  15  -1.645 -11.231   5.390
  107    HB2  ARG  15           2HB      ARG  15  -4.133 -10.961   3.746
  108    HB3  ARG  15           1HB      ARG  15  -3.962 -12.400   4.751
  109    HG2  ARG  15           2HG      ARG  15  -3.209  -9.951   6.165
  110    HG3  ARG  15           1HG      ARG  15  -4.885  -9.926   5.614
  111    HD2  ARG  15           2HD      ARG  15  -3.788 -12.378   6.992
  112    HD3  ARG  15           1HD      ARG  15  -4.384 -11.002   7.939
  113    HE   ARG  15           HE       ARG  15  -6.035 -12.798   6.338
  114   HH11  ARG  15          1HH2      ARG  15  -5.631  -9.609   7.604
  115   HH12  ARG  15          2HH2      ARG  15  -7.326  -9.250   7.592
  116   HH21  ARG  15          1HH1      ARG  15  -8.250 -12.339   6.322
  117   HH22  ARG  15          2HH1      ARG  15  -8.804 -10.791   6.866
  118    H    LYS  16           H        LYS  16  -0.989 -11.523   2.148
  119    HA   LYS  16           HA       LYS  16  -0.687 -14.502   2.389
  120    HB2  LYS  16           2HB      LYS  16  -2.470 -13.231   0.799
  121    HB3  LYS  16           1HB      LYS  16  -1.072 -13.239  -0.278
  122    HG2  LYS  16           2HG      LYS  16  -1.313 -15.441  -0.688
  123    HG3  LYS  16           1HG      LYS  16  -1.383 -15.810   1.035
  124    HD2  LYS  16           2HD      LYS  16  -3.628 -16.021   0.983
  125    HD3  LYS  16           1HD      LYS  16  -3.813 -14.488   0.129
  126    HE2  LYS  16           2HE      LYS  16  -3.425 -15.550  -2.012
  127    HE3  LYS  16           1HE      LYS  16  -2.988 -17.080  -1.226
  128    HZ1  LYS  16           3HZ      LYS  16  -5.503 -16.379  -1.979
  129    HZ2  LYS  16           1HZ      LYS  16  -5.499 -16.002  -0.324
  130    HZ3  LYS  16           2HZ      LYS  16  -5.117 -17.575  -0.838
  131    H    GLY  17           H        GLY  17   0.969 -11.662   2.268
  132    HA2  GLY  17           2HA      GLY  17   3.330 -11.413   2.036
  133    HA3  GLY  17           1HA      GLY  17   3.390 -12.990   1.245
  134    H    PHE  18           H        PHE  18   1.850  -9.819   0.633
  135    HA   PHE  18           HA       PHE  18   2.642 -10.148  -2.237
  136    HB2  PHE  18           2HB      PHE  18   0.174  -9.857  -1.090
  137    HB3  PHE  18           1HB      PHE  18   0.576  -8.189  -1.485
  138    HD1  PHE  18           2HD      PHE  18   0.340 -11.621  -2.922
  139    HD2  PHE  18           1HD      PHE  18   0.493  -7.403  -3.718
  140    HE1  PHE  18           2HE      PHE  18  -0.199 -12.052  -5.304
  141    HE2  PHE  18           1HE      PHE  18  -0.045  -7.834  -6.099
  142    HZ   PHE  18           HZ       PHE  18  -0.392 -10.158  -6.893
  143    H    CYS  19           H        CYS  19   2.629  -7.989   0.566
  144    HA   CYS  19           HA       CYS  19   3.859  -5.796  -1.009
  145    HB2  CYS  19           2HB      CYS  19   3.268  -4.472   0.784
  146    HB3  CYS  19           1HB      CYS  19   2.139  -5.790   1.056
  147    H    ASP  20           H        ASP  20   5.017  -8.625  -0.000
  148    HA   ASP  20           HA       ASP  20   7.660  -7.508   0.872
  149    HB2  ASP  20           2HB      ASP  20   7.862  -9.980   1.734
  150    HB3  ASP  20           1HB      ASP  20   6.848  -8.850   2.637
  151    H    VAL  21           H        VAL  21   6.275 -10.369  -0.794
  152    HA   VAL  21           HA       VAL  21   8.731 -10.651  -2.415
  153    HB   VAL  21           HB       VAL  21   7.688 -12.727  -3.093
  154   HG11  VAL  21          1HG1      VAL  21   7.903 -11.930  -0.330
  155   HG12  VAL  21          2HG1      VAL  21   8.219 -13.509  -1.049
  156   HG13  VAL  21          3HG1      VAL  21   6.592 -13.096  -0.507
  157   HG21  VAL  21          3HG2      VAL  21   5.464 -12.053  -3.631
  158   HG22  VAL  21          1HG2      VAL  21   5.183 -11.424  -2.007
  159   HG23  VAL  21          2HG2      VAL  21   5.290 -13.164  -2.271
  160    H    ARG  22           H        ARG  22   5.321  -9.737  -2.775
  161    HA   ARG  22           HA       ARG  22   5.727  -9.155  -5.669
  162    HB2  ARG  22           2HB      ARG  22   3.424  -9.512  -3.772
  163    HB3  ARG  22           1HB      ARG  22   3.163  -8.617  -5.267
  164    HG2  ARG  22           2HG      ARG  22   4.651 -11.135  -5.617
  165    HG3  ARG  22           1HG      ARG  22   2.995 -11.346  -5.044
  166    HD2  ARG  22           2HD      ARG  22   2.117 -10.722  -7.050
  167    HD3  ARG  22           1HD      ARG  22   3.231  -9.346  -7.189
  168    HE   ARG  22           HE       ARG  22   4.471 -11.992  -7.527
  169   HH11  ARG  22          1HH2      ARG  22   2.988  -9.234  -8.995
  170   HH12  ARG  22          2HH2      ARG  22   3.763  -9.476 -10.523
  171   HH21  ARG  22          1HH1      ARG  22   5.479 -12.311  -9.511
  172   HH22  ARG  22          2HH1      ARG  22   5.172 -11.213 -10.815
  173    H    GLN  23           H        GLN  23   6.208  -7.613  -2.773
  174    HA   GLN  23           HA       GLN  23   5.031  -5.176  -2.621
  175    HB2  GLN  23           2HB      GLN  23   6.981  -4.476  -1.524
  176    HB3  GLN  23           1HB      GLN  23   7.091  -6.234  -1.436
  177    HG2  GLN  23           2HG      GLN  23   8.359  -4.729  -3.722
  178    HG3  GLN  23           1HG      GLN  23   9.186  -4.909  -2.185
  179   HE21  GLN  23          1HE2      GLN  23  10.577  -6.664  -2.214
  180   HE22  GLN  23          2HE2      GLN  23  10.288  -8.127  -3.025
  181    H    ARG  24           H        ARG  24   7.181  -6.160  -5.244
  182    HA   ARG  24           HA       ARG  24   7.864  -3.712  -6.419
  183    HB2  ARG  24           2HB      ARG  24   7.021  -6.389  -7.550
  184    HB3  ARG  24           1HB      ARG  24   7.606  -5.087  -8.585
  185    HG2  ARG  24           2HG      ARG  24   9.729  -5.032  -7.434
  186    HG3  ARG  24           1HG      ARG  24   9.149  -6.165  -6.212
  187    HD2  ARG  24           2HD      ARG  24   8.651  -7.577  -8.509
  188    HD3  ARG  24           1HD      ARG  24  10.135  -6.710  -8.943
  189    HE   ARG  24           HE       ARG  24   9.886  -8.735  -6.836
  190   HH11  ARG  24          1HH2      ARG  24  11.611  -6.010  -8.086
  191   HH12  ARG  24          2HH2      ARG  24  13.085  -6.416  -7.275
  192   HH21  ARG  24          1HH1      ARG  24  11.801  -9.262  -5.775
  193   HH22  ARG  24          2HH1      ARG  24  13.195  -8.252  -5.972
  194    H    LEU  25           H        LEU  25   4.759  -5.435  -6.548
  195    HA   LEU  25           HA       LEU  25   3.592  -3.244  -8.196
  196    HB2  LEU  25           2HB      LEU  25   3.242  -5.517  -8.962
  197    HB3  LEU  25           1HB      LEU  25   2.666  -6.010  -7.368
  198    HG   LEU  25           HG       LEU  25   1.029  -3.870  -7.957
  199   HD11  LEU  25          1HD1      LEU  25   2.030  -3.949 -10.293
  200   HD12  LEU  25          2HD1      LEU  25   0.274  -4.089 -10.222
  201   HD13  LEU  25          3HD1      LEU  25   1.263  -5.526 -10.479
  202   HD21  LEU  25          3HD2      LEU  25  -0.015  -6.432  -8.928
  203   HD22  LEU  25          1HD2      LEU  25  -0.551  -5.445  -7.569
  204   HD23  LEU  25          2HD2      LEU  25   0.794  -6.568  -7.367
  205    H    MET  26           H        MET  26   3.443  -4.669  -4.975
  206    HA   MET  26           HA       MET  26   0.965  -3.346  -4.201
  207    HB2  MET  26           2HB      MET  26   1.950  -5.472  -3.265
  208    HB3  MET  26           1HB      MET  26   3.192  -4.486  -2.492
  209    HG2  MET  26           2HG      MET  26   1.736  -3.612  -0.948
  210    HG3  MET  26           1HG      MET  26   0.370  -3.649  -2.065
  211    HE1  MET  26           3HE      MET  26  -1.283  -5.824   0.421
  212    HE2  MET  26           1HE      MET  26  -1.053  -4.227  -0.303
  213    HE3  MET  26           2HE      MET  26  -0.067  -4.728   1.068
  214    H    LYS  27           H        LYS  27   3.868  -1.988  -4.937
  215    HA   LYS  27           HA       LYS  27   4.158  -0.195  -2.623
  216    HB2  LYS  27           2HB      LYS  27   5.563  -0.929  -5.093
  217    HB3  LYS  27           1HB      LYS  27   5.656   0.794  -4.736
  218    HG2  LYS  27           2HG      LYS  27   6.039  -0.685  -2.300
  219    HG3  LYS  27           1HG      LYS  27   7.145  -1.300  -3.530
  220    HD2  LYS  27           2HD      LYS  27   6.981   1.611  -3.582
  221    HD3  LYS  27           1HD      LYS  27   7.501   1.013  -2.006
  222    HE2  LYS  27           2HE      LYS  27   8.756  -0.209  -4.438
  223    HE3  LYS  27           1HE      LYS  27   9.280   1.413  -3.947
  224    HZ1  LYS  27           3HZ      LYS  27   9.658   0.616  -1.719
  225    HZ2  LYS  27           1HZ      LYS  27  10.535  -0.350  -2.807
  226    HZ3  LYS  27           2HZ      LYS  27   9.090  -0.932  -2.131
  227    H    ARG  28           H        ARG  28   2.758  -0.046  -5.886
  228    HA   ARG  28           HA       ARG  28   2.140   2.841  -5.501
  229    HB2  ARG  28           2HB      ARG  28   1.731   1.034  -7.897
  230    HB3  ARG  28           1HB      ARG  28   1.743   2.799  -7.885
  231    HG2  ARG  28           2HG      ARG  28   4.157   2.190  -6.701
  232    HG3  ARG  28           1HG      ARG  28   3.998   0.918  -7.915
  233    HD2  ARG  28           2HD      ARG  28   4.193   2.390  -9.663
  234    HD3  ARG  28           1HD      ARG  28   3.273   3.654  -8.822
  235    HE   ARG  28           HE       ARG  28   5.693   3.289  -7.395
  236   HH11  ARG  28          1HH2      ARG  28   4.581   4.295 -10.507
  237   HH12  ARG  28          2HH2      ARG  28   5.877   5.415 -10.752
  238   HH21  ARG  28          1HH1      ARG  28   7.392   4.751  -7.705
  239   HH22  ARG  28          2HH1      ARG  28   7.465   5.676  -9.168
  240    H    LEU  29           H        LEU  29   0.369  -0.053  -6.680
  241    HA   LEU  29           HA       LEU  29  -2.200   1.267  -6.267
  242    HB2  LEU  29           2HB      LEU  29  -2.996  -1.107  -6.916
  243    HB3  LEU  29           1HB      LEU  29  -2.054  -0.203  -8.104
  244    HG   LEU  29           HG       LEU  29  -0.379  -1.757  -6.268
  245   HD11  LEU  29          1HD1      LEU  29  -1.463  -3.729  -6.339
  246   HD12  LEU  29          2HD1      LEU  29  -1.333  -3.707  -8.097
  247   HD13  LEU  29          3HD1      LEU  29  -2.750  -3.013  -7.309
  248   HD21  LEU  29          3HD2      LEU  29   0.040  -2.588  -8.884
  249   HD22  LEU  29          1HD2      LEU  29   0.877  -1.254  -8.088
  250   HD23  LEU  29          2HD2      LEU  29  -0.549  -0.935  -9.078
  251    H    CYS  30           H        CYS  30  -0.184   0.018  -3.969
  252    HA   CYS  30           HA       CYS  30  -2.423  -0.353  -2.092
  253    HB2  CYS  30           2HB      CYS  30  -0.872  -2.562  -3.330
  254    HB3  CYS  30           1HB      CYS  30  -1.175  -2.705  -1.595
  255    HA   PRO  31           HA       PRO  31   1.785   0.804  -0.326
  256    HB2  PRO  31           2HB      PRO  31   1.620   3.527  -0.314
  257    HB3  PRO  31           1HB      PRO  31   2.264   2.608  -1.692
  258    HG2  PRO  31           2HG      PRO  31  -0.338   3.963  -1.378
  259    HG3  PRO  31           1HG      PRO  31   0.604   3.643  -2.841
  260    HD2  PRO  31           2HD      PRO  31  -1.649   2.215  -1.954
  261    HD3  PRO  31           1HD      PRO  31  -0.524   1.739  -3.243
  262    H    ARG  32           H        ARG  32  -1.489   1.288   0.376
  263    HA   ARG  32           HA       ARG  32  -1.068   2.735   2.917
  264    HB2  ARG  32           2HB      ARG  32  -3.451   2.823   2.957
  265    HB3  ARG  32           1HB      ARG  32  -3.007   2.989   1.257
  266    HG2  ARG  32           2HG      ARG  32  -3.400   0.576   0.916
  267    HG3  ARG  32           1HG      ARG  32  -3.846   0.409   2.615
  268    HD2  ARG  32           2HD      ARG  32  -5.266   2.359   0.785
  269    HD3  ARG  32           1HD      ARG  32  -5.804   0.678   0.975
  270    HE   ARG  32           HE       ARG  32  -5.312   1.977   3.533
  271   HH11  ARG  32          1HH2      ARG  32  -7.542   1.476   0.943
  272   HH12  ARG  32          2HH2      ARG  32  -8.937   1.813   1.910
  273   HH21  ARG  32          1HH1      ARG  32  -7.121   2.415   4.801
  274   HH22  ARG  32          2HH1      ARG  32  -8.701   2.344   4.094
  275    H    SER  33           H        SER  33  -0.841  -0.488   1.940
  276    HA   SER  33           HA       SER  33  -1.832  -1.560   4.536
  277    HB2  SER  33           2HB      SER  33  -0.956  -2.772   1.901
  278    HB3  SER  33           1HB      SER  33  -1.401  -3.744   3.305
  279    HG   SER  33           HG       SER  33  -3.065  -1.716   2.229
  280    H    CYS  34           H        CYS  34   1.083  -1.828   2.462
  281    HA   CYS  34           HA       CYS  34   2.668  -2.897   4.704
  282    HB2  CYS  34           2HB      CYS  34   2.638  -3.308   2.055
  283    HB3  CYS  34           1HB      CYS  34   3.837  -2.019   2.114
  284    H    ASP  35           H        ASP  35   1.723   0.185   3.805
  285    HA   ASP  35           HA       ASP  35   2.493   2.310   4.511
  286    HB2  ASP  35           2HB      ASP  35   3.113   0.631   6.486
  287    HB3  ASP  35           1HB      ASP  35   4.761   0.977   5.949
  288    H    PHE  36           H        PHE  36   3.277   1.607   1.984
  289    HA   PHE  36           HA       PHE  36   6.202   1.782   1.722
  290    HB2  PHE  36           2HB      PHE  36   3.854   1.664  -0.185
  291    HB3  PHE  36           1HB      PHE  36   5.527   1.786  -0.741
  292    HD1  PHE  36           2HD      PHE  36   6.873   0.121   1.381
  293    HD2  PHE  36           1HD      PHE  36   3.271  -0.550  -0.868
  294    HE1  PHE  36           2HE      PHE  36   7.139  -2.324   1.676
  295    HE2  PHE  36           1HE      PHE  36   3.543  -2.992  -0.569
  296    HZ   PHE  36           HZ       PHE  36   5.478  -3.877   0.698
  297    H    CYS  37           H        CYS  37   4.335   4.049   2.805
  298    HA   CYS  37           HA       CYS  37   5.735   6.220   1.343
  299    HB2  CYS  37           2HB      CYS  37   3.374   5.525   0.382
  300    HB3  CYS  37           1HB      CYS  37   2.766   6.422   1.778
  301    HXT  CYS  37           2H       CYS  37   4.049   6.498   5.093
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1   2.990  14.725  -1.830
    2    HA   TYR   1           HA       TYR   1   2.548  13.478  -4.033
    3    HB2  TYR   1           2HB      TYR   1   3.741  11.237  -4.050
    4    HB3  TYR   1           1HB      TYR   1   4.806  12.636  -4.170
    5    HD1  TYR   1           1HD      TYR   1   5.905  13.522  -2.042
    6    HD2  TYR   1           2HD      TYR   1   3.939   9.708  -2.252
    7    HE1  TYR   1           1HE      TYR   1   7.091  12.799   0.013
    8    HE2  TYR   1           2HE      TYR   1   5.128   8.985  -0.198
    9    HH   TYR   1           HH       TYR   1   6.624  11.053   1.888
   10    H    GLY   2           H        GLY   2   0.429  13.122  -3.427
   11    HA2  GLY   2           2HA      GLY   2  -0.440  11.979  -0.975
   12    HA3  GLY   2           1HA      GLY   2  -1.415  12.064  -2.441
   13    H    CYS   3           H        CYS   3  -1.100   9.853  -0.448
   14    HA   CYS   3           HA       CYS   3  -0.469   7.705  -2.426
   15    HB2  CYS   3           2HB      CYS   3   0.815   6.541  -0.649
   16    HB3  CYS   3           1HB      CYS   3   1.518   8.116  -1.019
   17    H    LEU   4           H        LEU   4  -2.073   6.176  -2.419
   18    HA   LEU   4           HA       LEU   4  -3.503   5.427   0.029
   19    HB2  LEU   4           2HB      LEU   4  -5.651   6.313  -0.648
   20    HB3  LEU   4           1HB      LEU   4  -4.487   7.635  -0.740
   21    HG   LEU   4           HG       LEU   4  -4.306   6.424  -3.239
   22   HD11  LEU   4          1HD1      LEU   4  -6.450   5.209  -2.520
   23   HD12  LEU   4          2HD1      LEU   4  -6.519   6.084  -4.049
   24   HD13  LEU   4          3HD1      LEU   4  -7.240   6.785  -2.601
   25   HD21  LEU   4          3HD2      LEU   4  -6.234   8.649  -3.026
   26   HD22  LEU   4          1HD2      LEU   4  -4.714   8.560  -3.914
   27   HD23  LEU   4          2HD2      LEU   4  -4.706   8.931  -2.191
   28    H    ASP   5           H        ASP   5  -4.981   3.645  -0.373
   29    HA   ASP   5           HA       ASP   5  -4.019   1.734  -2.252
   30    HB2  ASP   5           2HB      ASP   5  -5.755   0.386  -1.327
   31    HB3  ASP   5           1HB      ASP   5  -5.267   1.474  -0.027
   32    H    ARG   6           H        ARG   6  -4.570   1.354  -4.352
   33    HA   ARG   6           HA       ARG   6  -6.691   3.054  -5.582
   34    HB2  ARG   6           2HB      ARG   6  -4.263   1.536  -6.553
   35    HB3  ARG   6           1HB      ARG   6  -5.465   2.161  -7.685
   36    HG2  ARG   6           2HG      ARG   6  -4.487   4.056  -5.611
   37    HG3  ARG   6           1HG      ARG   6  -3.342   3.615  -6.880
   38    HD2  ARG   6           2HD      ARG   6  -6.169   4.543  -7.477
   39    HD3  ARG   6           1HD      ARG   6  -4.777   5.642  -7.427
   40    HE   ARG   6           HE       ARG   6  -3.918   3.558  -9.043
   41   HH11  ARG   6          1HH2      ARG   6  -6.624   5.704  -8.979
   42   HH12  ARG   6          2HH2      ARG   6  -6.821   5.712 -10.699
   43   HH21  ARG   6          1HH1      ARG   6  -4.169   3.561 -11.287
   44   HH22  ARG   6          2HH1      ARG   6  -5.434   4.502 -12.004
   45    H    ILE   7           H        ILE   7  -6.366  -0.008  -4.301
   46    HA   ILE   7           HA       ILE   7  -8.547  -1.059  -6.065
   47    HB   ILE   7           HB       ILE   7  -6.920  -3.217  -5.114
   48   HG12  ILE   7          2HG1      ILE   7  -5.365  -1.014  -6.510
   49   HG13  ILE   7          1HG1      ILE   7  -5.049  -1.666  -4.902
   50   HG21  ILE   7          1HG2      ILE   7  -8.169  -2.276  -7.501
   51   HG22  ILE   7          2HG2      ILE   7  -7.585  -3.901  -7.140
   52   HG23  ILE   7          3HG2      ILE   7  -6.509  -2.722  -7.892
   53   HD11  ILE   7          3HD1      ILE   7  -3.532  -2.897  -6.147
   54   HD12  ILE   7          1HD1      ILE   7  -4.560  -2.912  -7.580
   55   HD13  ILE   7          2HD1      ILE   7  -4.935  -3.963  -6.215
   56    H    PHE   8           H        PHE   8  -8.723  -3.547  -4.649
   57    HA   PHE   8           HA       PHE   8  -9.297  -2.722  -1.842
   58    HB2  PHE   8           2HB      PHE   8 -11.168  -3.260  -4.032
   59    HB3  PHE   8           1HB      PHE   8 -11.497  -4.242  -2.599
   60    HD1  PHE   8           1HD      PHE   8 -11.080  -2.787  -0.300
   61    HD2  PHE   8           2HD      PHE   8 -12.316  -1.239  -4.112
   62    HE1  PHE   8           1HE      PHE   8 -12.081  -0.815   0.824
   63    HE2  PHE   8           2HE      PHE   8 -13.316   0.732  -2.987
   64    HZ   PHE   8           HZ       PHE   8 -13.198   0.943  -0.519
   65    H    VAL   9           H        VAL   9  -7.774  -4.881  -3.791
   66    HA   VAL   9           HA       VAL   9  -8.505  -7.329  -2.283
   67    HB   VAL   9           HB       VAL   9  -7.217  -8.436  -3.975
   68   HG11  VAL   9          1HG1      VAL   9  -9.384  -7.121  -4.630
   69   HG12  VAL   9          2HG1      VAL   9  -8.367  -7.785  -5.910
   70   HG13  VAL   9          3HG1      VAL   9  -8.271  -6.070  -5.506
   71   HG21  VAL   9          3HG2      VAL   9  -5.932  -6.840  -5.630
   72   HG22  VAL   9          1HG2      VAL   9  -5.179  -7.298  -4.103
   73   HG23  VAL   9          2HG2      VAL   9  -5.954  -5.723  -4.266
   74    H    CYS  10           H        CYS  10  -6.809  -4.780  -1.411
   75    HA   CYS  10           HA       CYS  10  -4.148  -5.515  -0.860
   76    HB2  CYS  10           2HB      CYS  10  -6.080  -3.962   0.894
   77    HB3  CYS  10           1HB      CYS  10  -4.320  -3.807   0.883
   78    H    THR  11           H        THR  11  -7.037  -6.036   1.211
   79    HA   THR  11           HA       THR  11  -5.855  -7.326   3.390
   80    HB   THR  11           HB       THR  11  -8.306  -6.698   2.829
   81    HG1  THR  11           1HG      THR  11  -7.331  -8.845   4.292
   82   HG21  THR  11          3HG2      THR  11  -8.237  -9.537   1.769
   83   HG22  THR  11          1HG2      THR  11  -8.487  -8.084   0.798
   84   HG23  THR  11          2HG2      THR  11  -9.686  -8.558   2.000
   85    H    SER  12           H        SER  12  -6.839  -8.774   0.285
   86    HA   SER  12           HA       SER  12  -6.077 -11.471   0.919
   87    HB2  SER  12           2HB      SER  12  -6.636  -9.827  -1.525
   88    HB3  SER  12           1HB      SER  12  -5.943 -11.432  -1.733
   89    HG   SER  12           HG       SER  12  -8.244 -11.444  -1.711
   90    H    TRP  13           H        TRP  13  -4.360  -8.858  -0.820
   91    HA   TRP  13           HA       TRP  13  -1.977 -10.319  -1.400
   92    HB2  TRP  13           2HB      TRP  13  -2.681  -7.405  -1.011
   93    HB3  TRP  13           1HB      TRP  13  -1.055  -7.913  -1.477
   94    HD1  TRP  13           HD       TRP  13  -2.870 -10.434  -3.097
   95    HE1  TRP  13           1HE      TRP  13  -3.523  -9.829  -5.517
   96    HE3  TRP  13           3HE      TRP  13  -2.189  -5.381  -2.952
   97    HZ2  TRP  13           2HZ      TRP  13  -3.730  -7.501  -7.173
   98    HZ3  TRP  13           3HZ      TRP  13  -2.618  -3.992  -4.957
   99    HH2  TRP  13           HH       TRP  13  -3.388  -5.042  -7.067
  100    H    ALA  14           H        ALA  14  -2.510  -7.885   1.184
  101    HA   ALA  14           HA       ALA  14  -0.087  -8.220   2.571
  102    HB1  ALA  14           1HB      ALA  14  -2.247  -6.666   2.808
  103    HB2  ALA  14           2HB      ALA  14  -1.139  -6.902   4.159
  104    HB3  ALA  14           3HB      ALA  14  -2.640  -7.825   4.078
  105    H    ARG  15           H        ARG  15  -2.751 -10.420   2.331
  106    HA   ARG  15           HA       ARG  15  -2.111 -11.873   4.811
  107    HB2  ARG  15           2HB      ARG  15  -4.411 -11.583   3.894
  108    HB3  ARG  15           1HB      ARG  15  -3.941 -12.523   2.478
  109    HG2  ARG  15           2HG      ARG  15  -5.075 -13.991   4.058
  110    HG3  ARG  15           1HG      ARG  15  -3.367 -14.432   3.989
  111    HD2  ARG  15           2HD      ARG  15  -2.925 -13.171   6.051
  112    HD3  ARG  15           1HD      ARG  15  -4.618 -12.640   6.105
  113    HE   ARG  15           HE       ARG  15  -5.249 -14.829   6.772
  114   HH11  ARG  15          1HH2      ARG  15  -1.993 -14.696   5.618
  115   HH12  ARG  15          2HH2      ARG  15  -1.617 -16.309   6.117
  116   HH21  ARG  15          1HH1      ARG  15  -4.770 -16.940   7.408
  117   HH22  ARG  15          2HH1      ARG  15  -3.185 -17.578   7.125
  118    H    LYS  16           H        LYS  16  -0.653 -11.720   1.811
  119    HA   LYS  16           HA       LYS  16   0.317 -14.551   2.054
  120    HB2  LYS  16           2HB      LYS  16  -0.377 -12.886  -0.384
  121    HB3  LYS  16           1HB      LYS  16   0.470 -14.431  -0.475
  122    HG2  LYS  16           2HG      LYS  16  -2.208 -14.085   0.896
  123    HG3  LYS  16           1HG      LYS  16  -2.041 -14.583  -0.788
  124    HD2  LYS  16           2HD      LYS  16  -0.410 -16.075   1.203
  125    HD3  LYS  16           1HD      LYS  16  -2.152 -16.356   1.241
  126    HE2  LYS  16           2HE      LYS  16  -1.895 -17.759  -0.520
  127    HE3  LYS  16           1HE      LYS  16  -1.399 -16.364  -1.500
  128    HZ1  LYS  16           3HZ      LYS  16   0.310 -18.142   0.143
  129    HZ2  LYS  16           1HZ      LYS  16   0.838 -16.618  -0.381
  130    HZ3  LYS  16           2HZ      LYS  16   0.435 -17.814  -1.518
  131    H    GLY  17           H        GLY  17   1.286 -11.570   2.694
  132    HA2  GLY  17           2HA      GLY  17   3.489 -10.759   3.015
  133    HA3  GLY  17           1HA      GLY  17   4.097 -12.162   2.127
  134    H    PHE  18           H        PHE  18   1.563 -10.307   0.662
  135    HA   PHE  18           HA       PHE  18   2.988  -9.797  -1.736
  136    HB2  PHE  18           2HB      PHE  18   0.431  -9.556  -0.798
  137    HB3  PHE  18           1HB      PHE  18   0.899  -7.862  -0.930
  138    HD1  PHE  18           2HD      PHE  18   1.076 -11.070  -2.870
  139    HD2  PHE  18           1HD      PHE  18   0.705  -6.792  -2.997
  140    HE1  PHE  18           2HE      PHE  18   0.763 -11.169  -5.329
  141    HE2  PHE  18           1HE      PHE  18   0.393  -6.892  -5.454
  142    HZ   PHE  18           HZ       PHE  18   0.423  -9.081  -6.621
  143    H    CYS  19           H        CYS  19   2.981  -8.062   1.310
  144    HA   CYS  19           HA       CYS  19   3.974  -5.535   0.289
  145    HB2  CYS  19           2HB      CYS  19   4.117  -6.865   3.016
  146    HB3  CYS  19           1HB      CYS  19   4.477  -5.166   2.707
  147    H    ASP  20           H        ASP  20   5.393  -8.577   0.430
  148    HA   ASP  20           HA       ASP  20   8.148  -7.403   0.628
  149    HB2  ASP  20           2HB      ASP  20   7.017 -10.133   1.315
  150    HB3  ASP  20           1HB      ASP  20   8.743  -9.759   1.329
  151    H    VAL  21           H        VAL  21   7.203 -10.614  -0.511
  152    HA   VAL  21           HA       VAL  21   8.873 -10.702  -2.754
  153    HB   VAL  21           HB       VAL  21   7.102 -12.385  -3.570
  154   HG11  VAL  21          1HG1      VAL  21   8.022 -13.948  -2.169
  155   HG12  VAL  21          2HG1      VAL  21   7.705 -12.991  -0.721
  156   HG13  VAL  21          3HG1      VAL  21   9.081 -12.601  -1.754
  157   HG21  VAL  21          3HG2      VAL  21   5.624 -10.980  -1.484
  158   HG22  VAL  21          1HG2      VAL  21   5.698 -12.712  -1.167
  159   HG23  VAL  21          2HG2      VAL  21   5.037 -12.123  -2.692
  160    H    ARG  22           H        ARG  22   5.500  -9.520  -2.607
  161    HA   ARG  22           HA       ARG  22   5.726  -8.602  -5.432
  162    HB2  ARG  22           2HB      ARG  22   3.398  -8.775  -3.493
  163    HB3  ARG  22           1HB      ARG  22   3.271  -8.340  -5.198
  164    HG2  ARG  22           2HG      ARG  22   4.705 -10.871  -4.565
  165    HG3  ARG  22           1HG      ARG  22   2.957 -10.870  -4.340
  166    HD2  ARG  22           2HD      ARG  22   2.596 -10.930  -6.576
  167    HD3  ARG  22           1HD      ARG  22   3.715  -9.588  -6.855
  168    HE   ARG  22           HE       ARG  22   4.468 -12.465  -6.712
  169   HH11  ARG  22          1HH2      ARG  22   5.356  -9.132  -7.168
  170   HH12  ARG  22          2HH2      ARG  22   6.902  -9.520  -7.832
  171   HH21  ARG  22          1HH1      ARG  22   6.480 -12.942  -7.572
  172   HH22  ARG  22          2HH1      ARG  22   7.536 -11.659  -8.063
  173    H    GLN  23           H        GLN  23   6.458  -7.395  -2.464
  174    HA   GLN  23           HA       GLN  23   5.320  -4.987  -1.927
  175    HB2  GLN  23           2HB      GLN  23   7.496  -4.296  -1.135
  176    HB3  GLN  23           1HB      GLN  23   7.387  -6.047  -0.939
  177    HG2  GLN  23           2HG      GLN  23   9.257  -6.258  -2.169
  178    HG3  GLN  23           1HG      GLN  23   8.385  -5.604  -3.552
  179   HE21  GLN  23          1HE2      GLN  23  11.207  -5.136  -2.039
  180   HE22  GLN  23          2HE2      GLN  23  11.369  -3.450  -2.160
  181    H    ARG  24           H        ARG  24   7.118  -5.668  -4.896
  182    HA   ARG  24           HA       ARG  24   7.476  -2.892  -5.664
  183    HB2  ARG  24           2HB      ARG  24   8.653  -5.118  -6.393
  184    HB3  ARG  24           1HB      ARG  24   7.337  -5.217  -7.566
  185    HG2  ARG  24           2HG      ARG  24   8.682  -2.580  -7.342
  186    HG3  ARG  24           1HG      ARG  24   9.642  -3.879  -8.051
  187    HD2  ARG  24           2HD      ARG  24   7.017  -4.045  -9.173
  188    HD3  ARG  24           1HD      ARG  24   7.566  -2.362  -9.303
  189    HE   ARG  24           HE       ARG  24   9.635  -4.313  -9.983
  190   HH11  ARG  24          1HH2      ARG  24   6.962  -2.416 -11.074
  191   HH12  ARG  24          2HH2      ARG  24   7.473  -2.416 -12.728
  192   HH21  ARG  24          1HH1      ARG  24  10.307  -4.322 -12.137
  193   HH22  ARG  24          2HH1      ARG  24   9.363  -3.496 -13.330
  194    H    LEU  25           H        LEU  25   4.717  -4.855  -5.536
  195    HA   LEU  25           HA       LEU  25   3.393  -3.484  -7.824
  196    HB2  LEU  25           2HB      LEU  25   3.295  -5.955  -7.579
  197    HB3  LEU  25           1HB      LEU  25   2.507  -5.753  -6.014
  198    HG   LEU  25           HG       LEU  25   0.647  -4.549  -7.104
  199   HD11  LEU  25          1HD1      LEU  25   1.906  -3.590  -8.981
  200   HD12  LEU  25          2HD1      LEU  25   0.539  -4.525  -9.584
  201   HD13  LEU  25          3HD1      LEU  25   2.165  -5.201  -9.648
  202   HD21  LEU  25          3HD2      LEU  25   1.180  -7.274  -7.195
  203   HD22  LEU  25          1HD2      LEU  25   0.717  -6.896  -8.854
  204   HD23  LEU  25          2HD2      LEU  25  -0.381  -6.523  -7.524
  205    H    MET  26           H        MET  26   2.296  -4.456  -4.549
  206    HA   MET  26           HA       MET  26   0.198  -2.668  -4.217
  207    HB2  MET  26           2HB      MET  26   2.020  -4.227  -2.567
  208    HB3  MET  26           1HB      MET  26   1.513  -2.754  -1.740
  209    HG2  MET  26           2HG      MET  26  -0.864  -3.508  -2.746
  210    HG3  MET  26           1HG      MET  26  -0.109  -5.095  -2.602
  211    HE1  MET  26           3HE      MET  26  -1.372  -6.185   0.103
  212    HE2  MET  26           1HE      MET  26   0.347  -6.115   0.516
  213    HE3  MET  26           2HE      MET  26  -0.151  -6.338  -1.158
  214    H    LYS  27           H        LYS  27   3.645  -2.024  -3.493
  215    HA   LYS  27           HA       LYS  27   3.626   0.506  -2.409
  216    HB2  LYS  27           2HB      LYS  27   5.668  -0.662  -2.909
  217    HB3  LYS  27           1HB      LYS  27   5.303  -0.692  -4.632
  218    HG2  LYS  27           2HG      LYS  27   5.214   2.014  -4.019
  219    HG3  LYS  27           1HG      LYS  27   6.551   1.420  -3.036
  220    HD2  LYS  27           2HD      LYS  27   7.865   1.223  -4.851
  221    HD3  LYS  27           1HD      LYS  27   6.659   0.224  -5.662
  222    HE2  LYS  27           2HE      LYS  27   6.237   1.951  -7.063
  223    HE3  LYS  27           1HE      LYS  27   5.674   2.902  -5.674
  224    HZ1  LYS  27           3HZ      LYS  27   7.477   4.140  -6.258
  225    HZ2  LYS  27           1HZ      LYS  27   8.317   2.826  -6.925
  226    HZ3  LYS  27           2HZ      LYS  27   8.253   3.025  -5.238
  227    H    ARG  28           H        ARG  28   2.673  -0.375  -5.675
  228    HA   ARG  28           HA       ARG  28   2.420   2.489  -6.452
  229    HB2  ARG  28           2HB      ARG  28   2.072  -0.097  -8.006
  230    HB3  ARG  28           1HB      ARG  28   2.149   1.525  -8.698
  231    HG2  ARG  28           2HG      ARG  28   4.429   1.607  -7.321
  232    HG3  ARG  28           1HG      ARG  28   4.333  -0.142  -7.526
  233    HD2  ARG  28           2HD      ARG  28   4.049   0.201  -9.993
  234    HD3  ARG  28           1HD      ARG  28   4.304   1.940  -9.741
  235    HE   ARG  28           HE       ARG  28   6.393   0.503  -8.424
  236   HH11  ARG  28          1HH2      ARG  28   5.198   1.291 -11.568
  237   HH12  ARG  28          2HH2      ARG  28   6.758   1.225 -12.315
  238   HH21  ARG  28          1HH1      ARG  28   8.426   0.417  -9.388
  239   HH22  ARG  28          2HH1      ARG  28   8.584   0.734 -11.083
  240    H    LEU  29           H        LEU  29   0.476  -0.367  -5.723
  241    HA   LEU  29           HA       LEU  29  -1.997   1.113  -6.500
  242    HB2  LEU  29           2HB      LEU  29  -1.621  -1.801  -5.762
  243    HB3  LEU  29           1HB      LEU  29  -2.985  -1.082  -6.625
  244    HG   LEU  29           HG       LEU  29  -0.492  -0.443  -7.958
  245   HD11  LEU  29          1HD1      LEU  29  -0.584  -3.051  -6.796
  246   HD12  LEU  29          2HD1      LEU  29   0.619  -2.398  -7.910
  247   HD13  LEU  29          3HD1      LEU  29  -0.807  -3.225  -8.538
  248   HD21  LEU  29          3HD2      LEU  29  -2.964  -0.521  -8.754
  249   HD22  LEU  29          1HD2      LEU  29  -2.685  -2.250  -8.962
  250   HD23  LEU  29          2HD2      LEU  29  -1.717  -1.085  -9.865
  251    H    CYS  30           H        CYS  30  -0.891  -1.062  -3.851
  252    HA   CYS  30           HA       CYS  30  -2.693   0.486  -2.016
  253    HB2  CYS  30           2HB      CYS  30  -3.091  -2.023  -2.769
  254    HB3  CYS  30           1HB      CYS  30  -1.887  -2.352  -1.519
  255    HA   PRO  31           HA       PRO  31   1.530   0.832  -0.297
  256    HB2  PRO  31           2HB      PRO  31   1.457   3.531   0.101
  257    HB3  PRO  31           1HB      PRO  31   1.919   2.801  -1.450
  258    HG2  PRO  31           2HG      PRO  31  -0.583   4.158  -0.680
  259    HG3  PRO  31           1HG      PRO  31   0.177   3.996  -2.270
  260    HD2  PRO  31           2HD      PRO  31  -2.011   2.516  -1.288
  261    HD3  PRO  31           1HD      PRO  31  -1.081   2.192  -2.768
  262    H    ARG  32           H        ARG  32  -1.659   1.520   0.736
  263    HA   ARG  32           HA       ARG  32  -1.109   2.544   3.391
  264    HB2  ARG  32           2HB      ARG  32  -3.249   2.409   1.765
  265    HB3  ARG  32           1HB      ARG  32  -3.575   0.988   2.757
  266    HG2  ARG  32           2HG      ARG  32  -4.416   2.371   4.324
  267    HG3  ARG  32           1HG      ARG  32  -2.781   2.990   4.568
  268    HD2  ARG  32           2HD      ARG  32  -3.969   4.156   2.182
  269    HD3  ARG  32           1HD      ARG  32  -4.973   4.459   3.614
  270    HE   ARG  32           HE       ARG  32  -2.291   5.508   3.175
  271   HH11  ARG  32          1HH2      ARG  32  -4.617   4.429   5.490
  272   HH12  ARG  32          2HH2      ARG  32  -3.957   5.372   6.783
  273   HH21  ARG  32          1HH1      ARG  32  -1.422   6.741   4.855
  274   HH22  ARG  32          2HH1      ARG  32  -2.151   6.679   6.425
  275    H    SER  33           H        SER  33  -2.169  -0.684   2.242
  276    HA   SER  33           HA       SER  33  -2.168  -2.085   4.655
  277    HB2  SER  33           2HB      SER  33  -2.862  -2.944   2.445
  278    HB3  SER  33           1HB      SER  33  -1.177  -2.966   1.922
  279    HG   SER  33           HG       SER  33  -0.992  -4.813   2.886
  280    H    CYS  34           H        CYS  34   0.643  -1.856   2.422
  281    HA   CYS  34           HA       CYS  34   2.429  -2.824   4.581
  282    HB2  CYS  34           2HB      CYS  34   3.358  -1.912   1.880
  283    HB3  CYS  34           1HB      CYS  34   3.922  -3.270   2.845
  284    H    ASP  35           H        ASP  35   1.202   0.143   3.618
  285    HA   ASP  35           HA       ASP  35   1.864   2.366   4.082
  286    HB2  ASP  35           2HB      ASP  35   3.815   0.908   5.893
  287    HB3  ASP  35           1HB      ASP  35   3.265   2.577   6.073
  288    H    PHE  36           H        PHE  36   2.958   1.397   1.739
  289    HA   PHE  36           HA       PHE  36   5.867   1.605   1.700
  290    HB2  PHE  36           2HB      PHE  36   3.659   1.519  -0.370
  291    HB3  PHE  36           1HB      PHE  36   5.365   1.612  -0.813
  292    HD1  PHE  36           2HD      PHE  36   6.582  -0.077   1.332
  293    HD2  PHE  36           1HD      PHE  36   3.040  -0.668  -1.026
  294    HE1  PHE  36           2HE      PHE  36   6.794  -2.527   1.627
  295    HE2  PHE  36           1HE      PHE  36   3.256  -3.120  -0.733
  296    HZ   PHE  36           HZ       PHE  36   5.134  -4.051   0.592
  297    H    CYS  37           H        CYS  37   3.348   3.900   1.843
  298    HA   CYS  37           HA       CYS  37   4.890   5.970   0.372
  299    HB2  CYS  37           2HB      CYS  37   2.810   6.723  -0.121
  300    HB3  CYS  37           1HB      CYS  37   2.182   5.288   0.682
  301    HXT  CYS  37           2H       CYS  37   5.652   8.064   3.172
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1   3.802   9.931  -6.065
    2    HA   TYR   1           HA       TYR   1   2.377  10.639  -4.192
    3    HB2  TYR   1           2HB      TYR   1   1.272  12.278  -5.637
    4    HB3  TYR   1           1HB      TYR   1   0.426  10.987  -6.491
    5    HD1  TYR   1           1HD      TYR   1   1.079  11.229  -2.833
    6    HD2  TYR   1           2HD      TYR   1  -1.850  11.445  -5.967
    7    HE1  TYR   1           1HE      TYR   1  -0.729  11.294  -1.138
    8    HE2  TYR   1           2HE      TYR   1  -3.659  11.511  -4.273
    9    HH   TYR   1           HH       TYR   1  -3.013  10.966  -0.876
   10    H    GLY   2           H        GLY   2   1.935   8.817  -3.024
   11    HA2  GLY   2           2HA      GLY   2  -0.101   6.925  -3.927
   12    HA3  GLY   2           1HA      GLY   2   1.527   6.244  -3.899
   13    H    CYS   3           H        CYS   3  -0.877   7.886  -1.849
   14    HA   CYS   3           HA       CYS   3   0.464   6.672   0.546
   15    HB2  CYS   3           2HB      CYS   3   0.146   9.232   0.161
   16    HB3  CYS   3           1HB      CYS   3  -1.545   8.922   0.557
   17    H    LEU   4           H        LEU   4  -2.350   6.584  -1.435
   18    HA   LEU   4           HA       LEU   4  -3.788   5.025   0.686
   19    HB2  LEU   4           2HB      LEU   4  -5.733   6.147   0.151
   20    HB3  LEU   4           1HB      LEU   4  -4.572   7.401  -0.270
   21    HG   LEU   4           HG       LEU   4  -4.689   5.954  -2.605
   22   HD11  LEU   4          1HD1      LEU   4  -6.558   4.600  -1.610
   23   HD12  LEU   4          2HD1      LEU   4  -7.030   5.479  -3.066
   24   HD13  LEU   4          3HD1      LEU   4  -7.503   6.083  -1.478
   25   HD21  LEU   4          3HD2      LEU   4  -6.044   8.415  -1.562
   26   HD22  LEU   4          1HD2      LEU   4  -6.486   7.826  -3.165
   27   HD23  LEU   4          2HD2      LEU   4  -4.813   8.263  -2.816
   28    H    ASP   5           H        ASP   5  -5.065   3.251  -0.087
   29    HA   ASP   5           HA       ASP   5  -3.775   1.592  -2.019
   30    HB2  ASP   5           2HB      ASP   5  -5.824   0.212  -1.619
   31    HB3  ASP   5           1HB      ASP   5  -5.071   0.775  -0.128
   32    H    ARG   6           H        ARG   6  -4.879   0.688  -3.989
   33    HA   ARG   6           HA       ARG   6  -6.306   2.867  -5.475
   34    HB2  ARG   6           2HB      ARG   6  -4.243   0.822  -6.088
   35    HB3  ARG   6           1HB      ARG   6  -5.422   1.125  -7.361
   36    HG2  ARG   6           2HG      ARG   6  -3.994   3.381  -5.951
   37    HG3  ARG   6           1HG      ARG   6  -3.313   2.594  -7.376
   38    HD2  ARG   6           2HD      ARG   6  -5.775   3.034  -8.337
   39    HD3  ARG   6           1HD      ARG   6  -5.714   4.361  -7.162
   40    HE   ARG   6           HE       ARG   6  -4.027   4.106  -9.552
   41   HH11  ARG   6          1HH2      ARG   6  -4.428   5.436  -6.384
   42   HH12  ARG   6          2HH2      ARG   6  -3.374   6.777  -6.677
   43   HH21  ARG   6          1HH1      ARG   6  -2.648   5.849  -9.935
   44   HH22  ARG   6          2HH1      ARG   6  -2.367   7.010  -8.681
   45    H    ILE   7           H        ILE   7  -6.789  -0.170  -4.033
   46    HA   ILE   7           HA       ILE   7  -9.384  -0.466  -5.462
   47    HB   ILE   7           HB       ILE   7  -8.818  -2.910  -5.777
   48   HG12  ILE   7          2HG1      ILE   7  -6.449  -1.983  -4.325
   49   HG13  ILE   7          1HG1      ILE   7  -7.029  -3.624  -4.581
   50   HG21  ILE   7          1HG2      ILE   7  -7.412  -2.489  -7.766
   51   HG22  ILE   7          2HG2      ILE   7  -7.014  -0.887  -7.147
   52   HG23  ILE   7          3HG2      ILE   7  -8.671  -1.263  -7.615
   53   HD11  ILE   7          3HD1      ILE   7  -4.965  -3.635  -5.686
   54   HD12  ILE   7          1HD1      ILE   7  -5.168  -1.992  -6.291
   55   HD13  ILE   7          2HD1      ILE   7  -6.094  -3.314  -7.001
   56    H    PHE   8           H        PHE   8 -10.038  -2.982  -4.354
   57    HA   PHE   8           HA       PHE   8 -10.033  -2.360  -1.420
   58    HB2  PHE   8           2HB      PHE   8 -12.112  -3.251  -3.386
   59    HB3  PHE   8           1HB      PHE   8 -12.273  -3.762  -1.703
   60    HD1  PHE   8           1HD      PHE   8 -11.637  -1.717   0.017
   61    HD2  PHE   8           2HD      PHE   8 -13.251  -1.311  -3.942
   62    HE1  PHE   8           1HE      PHE   8 -12.518   0.526   0.607
   63    HE2  PHE   8           2HE      PHE   8 -14.135   0.930  -3.351
   64    HZ   PHE   8           HZ       PHE   8 -13.769   1.848  -1.078
   65    H    VAL   9           H        VAL   9  -8.178  -4.136  -3.041
   66    HA   VAL   9           HA       VAL   9  -8.752  -6.697  -1.582
   67    HB   VAL   9           HB       VAL   9  -9.145  -6.805  -4.038
   68   HG11  VAL   9          1HG1      VAL   9  -6.591  -5.387  -4.019
   69   HG12  VAL   9          2HG1      VAL   9  -7.788  -5.518  -5.307
   70   HG13  VAL   9          3HG1      VAL   9  -6.570  -6.778  -5.103
   71   HG21  VAL   9          3HG2      VAL   9  -8.070  -8.863  -4.307
   72   HG22  VAL   9          1HG2      VAL   9  -8.012  -8.672  -2.555
   73   HG23  VAL   9          2HG2      VAL   9  -6.589  -8.303  -3.530
   74    H    CYS  10           H        CYS  10  -6.835  -4.096  -1.488
   75    HA   CYS  10           HA       CYS  10  -4.143  -4.947  -1.624
   76    HB2  CYS  10           2HB      CYS  10  -5.423  -3.070   0.392
   77    HB3  CYS  10           1HB      CYS  10  -3.747  -3.035  -0.160
   78    H    THR  11           H        THR  11  -6.472  -5.208   1.069
   79    HA   THR  11           HA       THR  11  -4.740  -6.235   3.062
   80    HB   THR  11           HB       THR  11  -7.586  -7.142   2.610
   81    HG1  THR  11           1HG      THR  11  -6.600  -4.599   3.354
   82   HG21  THR  11          3HG2      THR  11  -6.590  -8.044   4.589
   83   HG22  THR  11          1HG2      THR  11  -7.624  -6.717   5.117
   84   HG23  THR  11          2HG2      THR  11  -5.877  -6.490   5.018
   85    H    SER  12           H        SER  12  -6.841  -8.100   0.821
   86    HA   SER  12           HA       SER  12  -6.042 -10.698   1.490
   87    HB2  SER  12           2HB      SER  12  -6.708  -9.404  -1.168
   88    HB3  SER  12           1HB      SER  12  -6.573 -11.147  -0.958
   89    HG   SER  12           HG       SER  12  -8.724 -10.405  -0.699
   90    H    TRP  13           H        TRP  13  -4.256  -8.231  -0.237
   91    HA   TRP  13           HA       TRP  13  -2.225 -10.078  -1.273
   92    HB2  TRP  13           2HB      TRP  13  -2.684  -7.096  -1.175
   93    HB3  TRP  13           1HB      TRP  13  -1.152  -7.752  -1.756
   94    HD1  TRP  13           HD       TRP  13  -3.170 -10.367  -2.839
   95    HE1  TRP  13           1HE      TRP  13  -4.126 -10.038  -5.210
   96    HE3  TRP  13           3HE      TRP  13  -2.480  -5.331  -3.382
   97    HZ2  TRP  13           2HZ      TRP  13  -4.541  -7.923  -7.087
   98    HZ3  TRP  13           3HZ      TRP  13  -3.170  -4.189  -5.469
   99    HH2  TRP  13           HH       TRP  13  -4.200  -5.476  -7.320
  100    H    ALA  14           H        ALA  14  -2.346  -7.533   1.247
  101    HA   ALA  14           HA       ALA  14   0.319  -7.847   2.201
  102    HB1  ALA  14           1HB      ALA  14  -1.303  -7.133   4.370
  103    HB2  ALA  14           2HB      ALA  14  -2.194  -6.575   2.955
  104    HB3  ALA  14           3HB      ALA  14  -0.542  -6.023   3.231
  105    H    ARG  15           H        ARG  15  -2.385  -9.956   2.444
  106    HA   ARG  15           HA       ARG  15  -1.313 -11.326   4.861
  107    HB2  ARG  15           2HB      ARG  15  -3.828 -10.683   4.076
  108    HB3  ARG  15           1HB      ARG  15  -3.708 -12.306   3.394
  109    HG2  ARG  15           2HG      ARG  15  -4.442 -12.840   5.521
  110    HG3  ARG  15           1HG      ARG  15  -2.700 -12.854   5.799
  111    HD2  ARG  15           2HD      ARG  15  -2.976 -10.328   6.364
  112    HD3  ARG  15           1HD      ARG  15  -4.699 -10.715   6.537
  113    HE   ARG  15           HE       ARG  15  -2.561 -11.623   8.316
  114   HH11  ARG  15          1HH2      ARG  15  -5.687 -12.240   6.981
  115   HH12  ARG  15          2HH2      ARG  15  -6.208 -13.209   8.317
  116   HH21  ARG  15          1HH1      ARG  15  -3.230 -12.889  10.064
  117   HH22  ARG  15          2HH1      ARG  15  -4.819 -13.580  10.058
  118    H    LYS  16           H        LYS  16  -0.901 -11.433   1.532
  119    HA   LYS  16           HA       LYS  16  -0.330 -14.379   1.577
  120    HB2  LYS  16           2HB      LYS  16  -2.111 -13.198   0.032
  121    HB3  LYS  16           1HB      LYS  16  -0.696 -12.732  -0.912
  122    HG2  LYS  16           2HG      LYS  16  -0.080 -15.297  -0.634
  123    HG3  LYS  16           1HG      LYS  16  -1.822 -15.459  -0.407
  124    HD2  LYS  16           2HD      LYS  16  -0.452 -14.157  -2.778
  125    HD3  LYS  16           1HD      LYS  16  -1.252 -15.729  -2.779
  126    HE2  LYS  16           2HE      LYS  16  -3.263 -14.746  -3.126
  127    HE3  LYS  16           1HE      LYS  16  -3.034 -13.701  -1.710
  128    HZ1  LYS  16           3HZ      LYS  16  -1.538 -13.203  -4.205
  129    HZ2  LYS  16           1HZ      LYS  16  -1.895 -12.125  -2.946
  130    HZ3  LYS  16           2HZ      LYS  16  -3.119 -12.607  -4.023
  131    H    GLY  17           H        GLY  17   1.208 -11.474   1.832
  132    HA2  GLY  17           2HA      GLY  17   3.579 -11.153   1.806
  133    HA3  GLY  17           1HA      GLY  17   3.742 -12.616   0.832
  134    H    PHE  18           H        PHE  18   1.819  -9.657   0.354
  135    HA   PHE  18           HA       PHE  18   2.902  -9.476  -2.424
  136    HB2  PHE  18           2HB      PHE  18   0.398  -9.501  -1.447
  137    HB3  PHE  18           1HB      PHE  18   0.695  -7.771  -1.380
  138    HD1  PHE  18           1HD      PHE  18   1.593 -10.516  -3.788
  139    HD2  PHE  18           2HD      PHE  18  -0.210  -6.660  -3.212
  140    HE1  PHE  18           1HE      PHE  18   1.140 -10.363  -6.222
  141    HE2  PHE  18           2HE      PHE  18  -0.659  -6.506  -5.646
  142    HZ   PHE  18           HZ       PHE  18   0.010  -8.358  -7.150
  143    H    CYS  19           H        CYS  19   2.528  -7.678   0.606
  144    HA   CYS  19           HA       CYS  19   3.650  -5.194  -0.425
  145    HB2  CYS  19           2HB      CYS  19   2.780  -4.480   1.542
  146    HB3  CYS  19           1HB      CYS  19   2.254  -6.130   1.837
  147    H    ASP  20           H        ASP  20   4.993  -8.200   0.210
  148    HA   ASP  20           HA       ASP  20   7.654  -7.050   0.955
  149    HB2  ASP  20           2HB      ASP  20   6.780  -8.696   2.504
  150    HB3  ASP  20           1HB      ASP  20   6.407  -9.807   1.181
  151    H    VAL  21           H        VAL  21   7.138 -10.198  -0.531
  152    HA   VAL  21           HA       VAL  21   9.208  -9.927  -2.435
  153    HB   VAL  21           HB       VAL  21   8.000 -11.867  -3.541
  154   HG11  VAL  21          1HG1      VAL  21   8.169 -12.130  -0.532
  155   HG12  VAL  21          2HG1      VAL  21   9.598 -12.028  -1.560
  156   HG13  VAL  21          3HG1      VAL  21   8.474 -13.373  -1.745
  157   HG21  VAL  21          3HG2      VAL  21   5.710 -10.961  -2.840
  158   HG22  VAL  21          1HG2      VAL  21   6.071 -11.583  -1.231
  159   HG23  VAL  21          2HG2      VAL  21   5.969 -12.688  -2.600
  160    H    ARG  22           H        ARG  22   5.732  -9.116  -2.736
  161    HA   ARG  22           HA       ARG  22   6.210  -8.240  -5.544
  162    HB2  ARG  22           2HB      ARG  22   4.050  -9.329  -3.995
  163    HB3  ARG  22           1HB      ARG  22   3.546  -7.767  -4.643
  164    HG2  ARG  22           2HG      ARG  22   3.076  -9.662  -6.207
  165    HG3  ARG  22           1HG      ARG  22   4.159  -8.456  -6.900
  166    HD2  ARG  22           2HD      ARG  22   5.875 -10.239  -5.587
  167    HD3  ARG  22           1HD      ARG  22   4.668 -11.274  -6.374
  168    HE   ARG  22           HE       ARG  22   5.623  -9.089  -8.072
  169   HH11  ARG  22          1HH2      ARG  22   6.090 -12.330  -6.965
  170   HH12  ARG  22          2HH2      ARG  22   6.974 -12.819  -8.371
  171   HH21  ARG  22          1HH1      ARG  22   6.783  -9.719  -9.909
  172   HH22  ARG  22          2HH1      ARG  22   7.367 -11.344 -10.032
  173    H    GLN  23           H        GLN  23   6.608  -6.963  -2.543
  174    HA   GLN  23           HA       GLN  23   5.425  -4.584  -2.094
  175    HB2  GLN  23           2HB      GLN  23   7.384  -5.449  -0.913
  176    HB3  GLN  23           1HB      GLN  23   8.403  -5.116  -2.316
  177    HG2  GLN  23           2HG      GLN  23   7.315  -2.668  -1.959
  178    HG3  GLN  23           1HG      GLN  23   7.301  -3.246  -0.293
  179   HE21  GLN  23          1HE2      GLN  23   9.056  -1.124  -1.300
  180   HE22  GLN  23          2HE2      GLN  23  10.652  -1.677  -1.128
  181    H    ARG  24           H        ARG  24   7.859  -5.015  -4.692
  182    HA   ARG  24           HA       ARG  24   8.128  -2.414  -5.632
  183    HB2  ARG  24           2HB      ARG  24   8.036  -5.136  -6.887
  184    HB3  ARG  24           1HB      ARG  24   8.161  -3.726  -7.939
  185    HG2  ARG  24           2HG      ARG  24  10.269  -3.182  -7.198
  186    HG3  ARG  24           1HG      ARG  24   9.977  -3.818  -5.578
  187    HD2  ARG  24           2HD      ARG  24   9.845  -5.955  -7.542
  188    HD3  ARG  24           1HD      ARG  24  11.400  -5.106  -7.630
  189    HE   ARG  24           HE       ARG  24  10.703  -5.485  -4.881
  190   HH11  ARG  24          1HH2      ARG  24  11.711  -7.188  -7.712
  191   HH12  ARG  24          2HH2      ARG  24  12.503  -8.448  -6.829
  192   HH21  ARG  24          1HH1      ARG  24  11.739  -7.125  -3.720
  193   HH22  ARG  24          2HH1      ARG  24  12.520  -8.412  -4.574
  194    H    LEU  25           H        LEU  25   5.306  -4.492  -5.920
  195    HA   LEU  25           HA       LEU  25   4.002  -2.610  -7.812
  196    HB2  LEU  25           2HB      LEU  25   3.801  -4.917  -8.360
  197    HB3  LEU  25           1HB      LEU  25   3.422  -5.357  -6.696
  198    HG   LEU  25           HG       LEU  25   1.530  -3.397  -7.657
  199   HD11  LEU  25          1HD1      LEU  25   1.667  -4.103  -9.869
  200   HD12  LEU  25          2HD1      LEU  25   0.481  -5.247  -9.241
  201   HD13  LEU  25          3HD1      LEU  25   2.166  -5.735  -9.424
  202   HD21  LEU  25          3HD2      LEU  25   1.665  -5.889  -6.176
  203   HD22  LEU  25          1HD2      LEU  25   0.300  -5.904  -7.292
  204   HD23  LEU  25          2HD2      LEU  25   0.447  -4.617  -6.096
  205    H    MET  26           H        MET  26   3.526  -3.953  -4.534
  206    HA   MET  26           HA       MET  26   1.057  -2.792  -3.866
  207    HB2  MET  26           2HB      MET  26   2.939  -4.283  -2.634
  208    HB3  MET  26           1HB      MET  26   3.247  -2.732  -1.850
  209    HG2  MET  26           2HG      MET  26   1.491  -3.142  -0.501
  210    HG3  MET  26           1HG      MET  26   0.444  -3.005  -1.914
  211    HE1  MET  26           3HE      MET  26  -1.453  -4.917  -1.490
  212    HE2  MET  26           1HE      MET  26  -0.765  -4.327   0.029
  213    HE3  MET  26           2HE      MET  26  -1.035  -6.051  -0.209
  214    H    LYS  27           H        LYS  27   4.309  -1.337  -3.517
  215    HA   LYS  27           HA       LYS  27   3.674   1.095  -2.315
  216    HB2  LYS  27           2HB      LYS  27   5.884  -0.008  -3.242
  217    HB3  LYS  27           1HB      LYS  27   5.545   0.981  -4.662
  218    HG2  LYS  27           2HG      LYS  27   5.482   3.000  -3.277
  219    HG3  LYS  27           1HG      LYS  27   5.740   2.034  -1.824
  220    HD2  LYS  27           2HD      LYS  27   7.966   1.895  -2.188
  221    HD3  LYS  27           1HD      LYS  27   7.739   1.505  -3.893
  222    HE2  LYS  27           2HE      LYS  27   8.855   3.624  -3.887
  223    HE3  LYS  27           1HE      LYS  27   7.150   4.015  -4.190
  224    HZ1  LYS  27           3HZ      LYS  27   8.574   5.065  -2.181
  225    HZ2  LYS  27           1HZ      LYS  27   7.884   3.727  -1.401
  226    HZ3  LYS  27           2HZ      LYS  27   6.885   4.882  -2.147
  227    H    ARG  28           H        ARG  28   2.979   0.082  -5.617
  228    HA   ARG  28           HA       ARG  28   2.115   2.839  -6.348
  229    HB2  ARG  28           2HB      ARG  28   2.722   0.260  -7.780
  230    HB3  ARG  28           1HB      ARG  28   1.802   1.524  -8.596
  231    HG2  ARG  28           2HG      ARG  28   3.801   3.034  -7.621
  232    HG3  ARG  28           1HG      ARG  28   4.660   1.499  -7.760
  233    HD2  ARG  28           2HD      ARG  28   4.360   1.394 -10.091
  234    HD3  ARG  28           1HD      ARG  28   2.990   2.521 -10.059
  235    HE   ARG  28           HE       ARG  28   4.537   4.308 -10.050
  236   HH11  ARG  28          1HH2      ARG  28   6.002   1.335  -9.082
  237   HH12  ARG  28          2HH2      ARG  28   7.608   1.982  -9.068
  238   HH21  ARG  28          1HH1      ARG  28   6.626   5.161 -10.038
  239   HH22  ARG  28          2HH1      ARG  28   7.962   4.145  -9.608
  240    H    LEU  29           H        LEU  29   0.818  -0.495  -6.194
  241    HA   LEU  29           HA       LEU  29  -1.890   0.422  -6.849
  242    HB2  LEU  29           2HB      LEU  29  -0.463  -2.151  -6.281
  243    HB3  LEU  29           1HB      LEU  29  -2.228  -2.126  -6.184
  244    HG   LEU  29           HG       LEU  29  -0.659  -1.120  -8.574
  245   HD11  LEU  29          1HD1      LEU  29  -0.498  -3.241  -9.317
  246   HD12  LEU  29          2HD1      LEU  29  -2.220  -3.507  -9.040
  247   HD13  LEU  29          3HD1      LEU  29  -1.065  -3.791  -7.738
  248   HD21  LEU  29          3HD2      LEU  29  -3.147  -0.424  -7.908
  249   HD22  LEU  29          1HD2      LEU  29  -3.523  -1.992  -8.622
  250   HD23  LEU  29          2HD2      LEU  29  -2.714  -0.756  -9.584
  251    H    CYS  30           H        CYS  30  -0.363  -1.096  -3.959
  252    HA   CYS  30           HA       CYS  30  -2.516   0.208  -2.326
  253    HB2  CYS  30           2HB      CYS  30  -1.465  -2.631  -2.265
  254    HB3  CYS  30           1HB      CYS  30  -2.522  -1.955  -1.025
  255    HA   PRO  31           HA       PRO  31   1.550   1.051  -0.367
  256    HB2  PRO  31           2HB      PRO  31   1.097   3.707   0.090
  257    HB3  PRO  31           1HB      PRO  31   1.751   3.094  -1.443
  258    HG2  PRO  31           2HG      PRO  31  -0.978   4.038  -0.791
  259    HG3  PRO  31           1HG      PRO  31  -0.088   4.114  -2.320
  260    HD2  PRO  31           2HD      PRO  31  -2.093   2.285  -1.690
  261    HD3  PRO  31           1HD      PRO  31  -0.925   2.129  -3.021
  262    H    ARG  32           H        ARG  32  -1.764   1.863   0.442
  263    HA   ARG  32           HA       ARG  32  -1.427   2.527   3.217
  264    HB2  ARG  32           2HB      ARG  32  -3.389   2.936   1.659
  265    HB3  ARG  32           1HB      ARG  32  -3.785   1.226   1.824
  266    HG2  ARG  32           2HG      ARG  32  -4.087   1.473   4.222
  267    HG3  ARG  32           1HG      ARG  32  -3.540   3.150   4.153
  268    HD2  ARG  32           2HD      ARG  32  -5.500   3.413   2.398
  269    HD3  ARG  32           1HD      ARG  32  -6.143   1.976   3.215
  270    HE   ARG  32           HE       ARG  32  -5.855   4.638   4.405
  271   HH11  ARG  32          1HH2      ARG  32  -6.052   1.224   4.907
  272   HH12  ARG  32          2HH2      ARG  32  -6.620   1.370   6.535
  273   HH21  ARG  32          1HH1      ARG  32  -6.593   4.836   6.524
  274   HH22  ARG  32          2HH1      ARG  32  -6.929   3.410   7.449
  275    H    SER  33           H        SER  33  -1.368  -0.497   1.507
  276    HA   SER  33           HA       SER  33  -2.264  -2.296   3.521
  277    HB2  SER  33           2HB      SER  33  -1.642  -2.586   1.011
  278    HB3  SER  33           1HB      SER  33  -0.003  -2.850   1.604
  279    HG   SER  33           HG       SER  33  -1.978  -4.581   1.495
  280    H    CYS  34           H        CYS  34   1.190  -1.875   2.641
  281    HA   CYS  34           HA       CYS  34   1.898  -2.560   5.446
  282    HB2  CYS  34           2HB      CYS  34   3.021  -2.884   2.761
  283    HB3  CYS  34           1HB      CYS  34   4.219  -2.334   3.936
  284    H    ASP  35           H        ASP  35   0.824   0.084   4.943
  285    HA   ASP  35           HA       ASP  35   1.331   2.347   5.395
  286    HB2  ASP  35           2HB      ASP  35   3.703   1.069   6.784
  287    HB3  ASP  35           1HB      ASP  35   2.887   2.573   7.224
  288    H    PHE  36           H        PHE  36   2.535   1.151   2.907
  289    HA   PHE  36           HA       PHE  36   5.205   1.810   2.397
  290    HB2  PHE  36           2HB      PHE  36   2.648   2.009   0.819
  291    HB3  PHE  36           1HB      PHE  36   4.178   2.525   0.097
  292    HD1  PHE  36           1HD      PHE  36   6.034   0.940  -0.210
  293    HD2  PHE  36           2HD      PHE  36   2.202  -0.341   1.244
  294    HE1  PHE  36           1HE      PHE  36   6.633  -1.410  -0.700
  295    HE2  PHE  36           2HE      PHE  36   2.802  -2.694   0.753
  296    HZ   PHE  36           HZ       PHE  36   5.019  -3.231  -0.220
  297    H    CYS  37           H        CYS  37   2.529   3.961   3.048
  298    HA   CYS  37           HA       CYS  37   3.954   6.363   2.111
  299    HB2  CYS  37           2HB      CYS  37   1.436   5.836   2.039
  300    HB3  CYS  37           1HB      CYS  37   1.435   6.171   3.773
  301    HXT  CYS  37           2H       CYS  37   4.347   5.722   6.126
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1   4.012  11.114  -1.997
    2    HA   TYR   1           HA       TYR   1   2.618  13.272  -0.662
    3    HB2  TYR   1           2HB      TYR   1   3.921  13.776  -3.185
    4    HB3  TYR   1           1HB      TYR   1   2.174  13.925  -3.388
    5    HD1  TYR   1           1HD      TYR   1   1.312  14.857  -0.735
    6    HD2  TYR   1           2HD      TYR   1   4.728  15.986  -3.080
    7    HE1  TYR   1           1HE      TYR   1   1.364  17.060   0.403
    8    HE2  TYR   1           2HE      TYR   1   4.782  18.189  -1.942
    9    HH   TYR   1           HH       TYR   1   4.006  19.157   0.221
   10    H    GLY   2           H        GLY   2   2.507  11.279  -3.642
   11    HA2  GLY   2           2HA      GLY   2  -0.380  10.822  -3.248
   12    HA3  GLY   2           1HA      GLY   2   0.581  10.251  -4.613
   13    H    CYS   3           H        CYS   3  -0.542   9.503  -1.408
   14    HA   CYS   3           HA       CYS   3   0.711   6.787  -1.660
   15    HB2  CYS   3           2HB      CYS   3   0.134   8.336   0.882
   16    HB3  CYS   3           1HB      CYS   3   1.082   6.856   0.729
   17    H    LEU   4           H        LEU   4  -1.174   5.744  -2.450
   18    HA   LEU   4           HA       LEU   4  -3.250   5.185  -0.467
   19    HB2  LEU   4           2HB      LEU   4  -5.039   6.319  -1.522
   20    HB3  LEU   4           1HB      LEU   4  -3.715   7.478  -1.603
   21    HG   LEU   4           HG       LEU   4  -4.488   5.566  -3.829
   22   HD11  LEU   4          1HD1      LEU   4  -4.766   8.303  -4.555
   23   HD12  LEU   4          2HD1      LEU   4  -5.596   8.088  -3.014
   24   HD13  LEU   4          3HD1      LEU   4  -6.038   7.092  -4.401
   25   HD21  LEU   4          3HD2      LEU   4  -2.975   7.345  -5.062
   26   HD22  LEU   4          1HD2      LEU   4  -2.224   6.012  -4.185
   27   HD23  LEU   4          2HD2      LEU   4  -2.318   7.610  -3.447
   28    H    ASP   5           H        ASP   5  -4.889   3.638  -1.405
   29    HA   ASP   5           HA       ASP   5  -3.542   1.837  -3.362
   30    HB2  ASP   5           2HB      ASP   5  -5.026   0.161  -2.374
   31    HB3  ASP   5           1HB      ASP   5  -4.235   1.066  -1.082
   32    H    ARG   6           H        ARG   6  -5.439   0.519  -4.630
   33    HA   ARG   6           HA       ARG   6  -7.431   2.518  -5.650
   34    HB2  ARG   6           2HB      ARG   6  -6.784   1.840  -7.944
   35    HB3  ARG   6           1HB      ARG   6  -5.411   2.514  -7.065
   36    HG2  ARG   6           2HG      ARG   6  -4.796   0.131  -6.427
   37    HG3  ARG   6           1HG      ARG   6  -6.011  -0.405  -7.589
   38    HD2  ARG   6           2HD      ARG   6  -3.565   1.294  -8.190
   39    HD3  ARG   6           1HD      ARG   6  -3.874  -0.365  -8.740
   40    HE   ARG   6           HE       ARG   6  -6.103   0.954  -9.625
   41   HH11  ARG   6          1HH2      ARG   6  -2.717   1.614  -9.814
   42   HH12  ARG   6          2HH2      ARG   6  -2.831   2.424 -11.340
   43   HH21  ARG   6          1HH1      ARG   6  -6.259   2.005 -11.615
   44   HH22  ARG   6          2HH1      ARG   6  -4.832   2.645 -12.358
   45    H    ILE   7           H        ILE   7  -7.237  -0.290  -4.120
   46    HA   ILE   7           HA       ILE   7  -9.745  -1.304  -5.282
   47    HB   ILE   7           HB       ILE   7  -8.603  -3.601  -5.577
   48   HG12  ILE   7          2HG1      ILE   7  -6.175  -1.780  -5.544
   49   HG13  ILE   7          1HG1      ILE   7  -6.533  -3.047  -4.370
   50   HG21  ILE   7          1HG2      ILE   7  -8.331  -3.154  -7.821
   51   HG22  ILE   7          2HG2      ILE   7  -7.431  -1.667  -7.525
   52   HG23  ILE   7          3HG2      ILE   7  -9.186  -1.685  -7.350
   53   HD11  ILE   7          3HD1      ILE   7  -6.414  -3.730  -7.292
   54   HD12  ILE   7          1HD1      ILE   7  -6.122  -4.767  -5.896
   55   HD13  ILE   7          2HD1      ILE   7  -4.917  -3.570  -6.372
   56    H    PHE   8           H        PHE   8 -10.575  -3.167  -3.950
   57    HA   PHE   8           HA       PHE   8  -9.796  -2.806  -1.105
   58    HB2  PHE   8           2HB      PHE   8 -12.189  -3.205  -2.605
   59    HB3  PHE   8           1HB      PHE   8 -11.995  -4.608  -1.549
   60    HD1  PHE   8           1HD      PHE   8 -10.806  -1.132  -0.938
   61    HD2  PHE   8           2HD      PHE   8 -13.621  -4.193   0.138
   62    HE1  PHE   8           1HE      PHE   8 -11.545   0.229   0.999
   63    HE2  PHE   8           2HE      PHE   8 -14.359  -2.832   2.076
   64    HZ   PHE   8           HZ       PHE   8 -13.321  -0.621   2.506
   65    H    VAL   9           H        VAL   9  -7.913  -4.249  -2.684
   66    HA   VAL   9           HA       VAL   9  -8.233  -7.003  -1.550
   67    HB   VAL   9           HB       VAL   9  -7.984  -6.046  -4.286
   68   HG11  VAL   9          1HG1      VAL   9  -5.544  -6.531  -3.840
   69   HG12  VAL   9          2HG1      VAL   9  -6.264  -7.518  -5.115
   70   HG13  VAL   9          3HG1      VAL   9  -6.001  -8.204  -3.511
   71   HG21  VAL   9          3HG2      VAL   9  -9.346  -7.979  -2.934
   72   HG22  VAL   9          1HG2      VAL   9  -8.089  -8.944  -3.707
   73   HG23  VAL   9          2HG2      VAL   9  -9.166  -7.951  -4.688
   74    H    CYS  10           H        CYS  10  -6.625  -4.281  -1.031
   75    HA   CYS  10           HA       CYS  10  -3.835  -4.947  -1.240
   76    HB2  CYS  10           2HB      CYS  10  -5.151  -3.205   0.858
   77    HB3  CYS  10           1HB      CYS  10  -3.535  -3.030   0.171
   78    H    THR  11           H        THR  11  -5.964  -4.964   1.650
   79    HA   THR  11           HA       THR  11  -4.260  -6.140   3.509
   80    HB   THR  11           HB       THR  11  -6.998  -7.241   3.461
   81    HG1  THR  11           1HG      THR  11  -7.994  -5.465   3.006
   82   HG21  THR  11          3HG2      THR  11  -6.210  -5.230   5.462
   83   HG22  THR  11          1HG2      THR  11  -5.115  -6.611   5.354
   84   HG23  THR  11          2HG2      THR  11  -6.828  -6.867   5.690
   85    H    SER  12           H        SER  12  -6.473  -7.940   1.330
   86    HA   SER  12           HA       SER  12  -5.745 -10.560   1.982
   87    HB2  SER  12           2HB      SER  12  -7.492 -10.342   0.458
   88    HB3  SER  12           1HB      SER  12  -6.649  -9.115  -0.484
   89    HG   SER  12           HG       SER  12  -6.260 -10.777  -1.735
   90    H    TRP  13           H        TRP  13  -4.068  -8.295  -0.202
   91    HA   TRP  13           HA       TRP  13  -2.078 -10.164  -1.126
   92    HB2  TRP  13           2HB      TRP  13  -2.516  -7.203  -1.054
   93    HB3  TRP  13           1HB      TRP  13  -0.897  -7.784  -1.449
   94    HD1  TRP  13           HD       TRP  13  -2.057 -10.483  -2.928
   95    HE1  TRP  13           1HE      TRP  13  -2.975 -10.219  -5.319
   96    HE3  TRP  13           3HE      TRP  13  -2.944  -5.451  -2.985
   97    HZ2  TRP  13           2HZ      TRP  13  -3.958  -8.153  -7.030
   98    HZ3  TRP  13           3HZ      TRP  13  -3.869  -4.362  -5.013
   99    HH2  TRP  13           HH       TRP  13  -4.376  -5.706  -7.032
  100    H    ALA  14           H        ALA  14  -2.095  -7.744   1.496
  101    HA   ALA  14           HA       ALA  14   0.533  -7.929   2.428
  102    HB1  ALA  14           1HB      ALA  14  -1.605  -6.610   3.200
  103    HB2  ALA  14           2HB      ALA  14  -0.354  -6.982   4.386
  104    HB3  ALA  14           3HB      ALA  14  -1.817  -7.964   4.309
  105    H    ARG  15           H        ARG  15  -2.194 -10.111   3.182
  106    HA   ARG  15           HA       ARG  15  -0.513 -11.863   4.837
  107    HB2  ARG  15           2HB      ARG  15  -3.365 -11.705   3.905
  108    HB3  ARG  15           1HB      ARG  15  -2.773 -13.213   4.601
  109    HG2  ARG  15           2HG      ARG  15  -2.430 -10.534   5.964
  110    HG3  ARG  15           1HG      ARG  15  -3.813 -11.590   6.260
  111    HD2  ARG  15           2HD      ARG  15  -2.370 -13.366   7.069
  112    HD3  ARG  15           1HD      ARG  15  -0.920 -12.455   6.603
  113    HE   ARG  15           HE       ARG  15  -1.214 -11.114   8.528
  114   HH11  ARG  15          1HH2      ARG  15  -4.092 -12.831   7.697
  115   HH12  ARG  15          2HH2      ARG  15  -4.953 -12.335   9.115
  116   HH21  ARG  15          1HH1      ARG  15  -2.322 -10.469  10.387
  117   HH22  ARG  15          2HH1      ARG  15  -3.953 -10.997  10.635
  118    H    LYS  16           H        LYS  16  -1.226 -11.536   1.497
  119    HA   LYS  16           HA       LYS  16  -0.799 -14.388   0.860
  120    HB2  LYS  16           2HB      LYS  16  -2.475 -13.080  -0.341
  121    HB3  LYS  16           1HB      LYS  16  -1.271 -11.870  -0.771
  122    HG2  LYS  16           2HG      LYS  16  -1.749 -13.418  -2.651
  123    HG3  LYS  16           1HG      LYS  16  -0.068 -13.512  -2.137
  124    HD2  LYS  16           2HD      LYS  16  -0.886 -15.456  -0.606
  125    HD3  LYS  16           1HD      LYS  16  -2.296 -15.483  -1.663
  126    HE2  LYS  16           2HE      LYS  16   0.552 -15.622  -2.703
  127    HE3  LYS  16           1HE      LYS  16  -0.447 -17.055  -2.387
  128    HZ1  LYS  16           3HZ      LYS  16  -0.526 -15.386  -4.624
  129    HZ2  LYS  16           1HZ      LYS  16  -1.977 -15.142  -3.780
  130    HZ3  LYS  16           2HZ      LYS  16  -1.536 -16.707  -4.275
  131    H    GLY  17           H        GLY  17   1.256 -12.070   1.831
  132    HA2  GLY  17           2HA      GLY  17   3.602 -11.899   1.641
  133    HA3  GLY  17           1HA      GLY  17   3.560 -13.293   0.551
  134    H    PHE  18           H        PHE  18   1.928 -10.150   0.300
  135    HA   PHE  18           HA       PHE  18   3.125  -9.828  -2.424
  136    HB2  PHE  18           2HB      PHE  18   0.532  -9.791  -1.414
  137    HB3  PHE  18           1HB      PHE  18   0.924  -8.084  -1.611
  138    HD1  PHE  18           1HD      PHE  18   1.533 -11.279  -3.495
  139    HD2  PHE  18           2HD      PHE  18   0.337  -7.158  -3.635
  140    HE1  PHE  18           1HE      PHE  18   1.158 -11.474  -5.939
  141    HE2  PHE  18           2HE      PHE  18  -0.046  -7.353  -6.078
  142    HZ   PHE  18           HZ       PHE  18   0.369  -9.509  -7.232
  143    H    CYS  19           H        CYS  19   2.750  -8.313   0.727
  144    HA   CYS  19           HA       CYS  19   3.681  -5.691  -0.144
  145    HB2  CYS  19           2HB      CYS  19   2.958  -7.087   2.408
  146    HB3  CYS  19           1HB      CYS  19   3.833  -5.557   2.501
  147    H    ASP  20           H        ASP  20   5.228  -8.635   0.903
  148    HA   ASP  20           HA       ASP  20   7.799  -7.139   1.294
  149    HB2  ASP  20           2HB      ASP  20   6.467  -9.468   2.552
  150    HB3  ASP  20           1HB      ASP  20   8.210  -9.638   2.308
  151    H    VAL  21           H        VAL  21   6.219  -9.769  -0.451
  152    HA   VAL  21           HA       VAL  21   8.765 -10.533  -1.765
  153    HB   VAL  21           HB       VAL  21   6.189 -11.709  -1.120
  154   HG11  VAL  21          1HG1      VAL  21   6.216 -13.149  -3.299
  155   HG12  VAL  21          2HG1      VAL  21   7.039 -11.759  -4.008
  156   HG13  VAL  21          3HG1      VAL  21   5.422 -11.576  -3.328
  157   HG21  VAL  21          3HG2      VAL  21   8.977 -12.509  -1.705
  158   HG22  VAL  21          1HG2      VAL  21   7.757 -13.739  -2.032
  159   HG23  VAL  21          2HG2      VAL  21   7.898 -13.043  -0.417
  160    H    ARG  22           H        ARG  22   5.544  -9.255  -2.643
  161    HA   ARG  22           HA       ARG  22   6.501  -8.649  -5.388
  162    HB2  ARG  22           2HB      ARG  22   3.856  -8.684  -3.934
  163    HB3  ARG  22           1HB      ARG  22   4.004  -7.963  -5.537
  164    HG2  ARG  22           2HG      ARG  22   4.927 -10.774  -4.906
  165    HG3  ARG  22           1HG      ARG  22   3.320 -10.407  -5.530
  166    HD2  ARG  22           2HD      ARG  22   5.878  -9.532  -6.912
  167    HD3  ARG  22           1HD      ARG  22   4.989 -11.010  -7.330
  168    HE   ARG  22           HE       ARG  22   3.020  -9.085  -7.330
  169   HH11  ARG  22          1HH2      ARG  22   6.140  -9.382  -8.781
  170   HH12  ARG  22          2HH2      ARG  22   5.720  -8.450 -10.179
  171   HH21  ARG  22          1HH1      ARG  22   2.463  -7.866  -9.144
  172   HH22  ARG  22          2HH1      ARG  22   3.642  -7.590 -10.382
  173    H    GLN  23           H        GLN  23   6.653  -7.138  -2.461
  174    HA   GLN  23           HA       GLN  23   5.806  -4.673  -2.170
  175    HB2  GLN  23           2HB      GLN  23   8.364  -3.952  -2.066
  176    HB3  GLN  23           1HB      GLN  23   7.702  -5.121  -0.921
  177    HG2  GLN  23           2HG      GLN  23   8.967  -6.807  -1.752
  178    HG3  GLN  23           1HG      GLN  23   8.621  -6.356  -3.423
  179   HE21  GLN  23          1HE2      GLN  23  11.277  -7.040  -2.144
  180   HE22  GLN  23          2HE2      GLN  23  12.269  -5.696  -2.445
  181    H    ARG  24           H        ARG  24   8.119  -5.266  -4.857
  182    HA   ARG  24           HA       ARG  24   8.308  -2.717  -5.950
  183    HB2  ARG  24           2HB      ARG  24   8.069  -5.462  -7.196
  184    HB3  ARG  24           1HB      ARG  24   8.465  -4.032  -8.151
  185    HG2  ARG  24           2HG      ARG  24  10.446  -3.618  -6.821
  186    HG3  ARG  24           1HG      ARG  24  10.011  -4.904  -5.695
  187    HD2  ARG  24           2HD      ARG  24  10.271  -5.602  -8.601
  188    HD3  ARG  24           1HD      ARG  24  11.749  -5.387  -7.641
  189    HE   ARG  24           HE       ARG  24   9.797  -7.536  -7.303
  190   HH11  ARG  24          1HH2      ARG  24  12.184  -5.527  -5.820
  191   HH12  ARG  24          2HH2      ARG  24  12.543  -6.664  -4.565
  192   HH21  ARG  24          1HH1      ARG  24  10.254  -9.019  -5.671
  193   HH22  ARG  24          2HH1      ARG  24  11.452  -8.639  -4.479
  194    H    LEU  25           H        LEU  25   5.518  -4.889  -6.107
  195    HA   LEU  25           HA       LEU  25   4.124  -3.041  -7.975
  196    HB2  LEU  25           2HB      LEU  25   4.096  -5.407  -8.502
  197    HB3  LEU  25           1HB      LEU  25   3.517  -5.802  -6.882
  198    HG   LEU  25           HG       LEU  25   1.748  -3.852  -7.972
  199   HD11  LEU  25          1HD1      LEU  25   2.784  -5.806  -9.927
  200   HD12  LEU  25          2HD1      LEU  25   1.938  -4.282 -10.198
  201   HD13  LEU  25          3HD1      LEU  25   1.024  -5.742  -9.817
  202   HD21  LEU  25          3HD2      LEU  25   0.510  -5.231  -6.680
  203   HD22  LEU  25          1HD2      LEU  25   1.718  -6.512  -6.787
  204   HD23  LEU  25          2HD2      LEU  25   0.489  -6.350  -8.042
  205    H    MET  26           H        MET  26   3.909  -4.252  -4.640
  206    HA   MET  26           HA       MET  26   1.289  -3.067  -4.142
  207    HB2  MET  26           2HB      MET  26   3.466  -4.448  -2.624
  208    HB3  MET  26           1HB      MET  26   2.241  -3.569  -1.709
  209    HG2  MET  26           2HG      MET  26   1.587  -5.629  -3.832
  210    HG3  MET  26           1HG      MET  26   1.680  -5.994  -2.110
  211    HE1  MET  26           3HE      MET  26  -1.395  -4.923  -0.552
  212    HE2  MET  26           1HE      MET  26   0.221  -4.254  -0.290
  213    HE3  MET  26           2HE      MET  26   0.020  -5.968  -0.647
  214    H    LYS  27           H        LYS  27   3.158  -1.078  -5.180
  215    HA   LYS  27           HA       LYS  27   3.635   0.605  -2.755
  216    HB2  LYS  27           2HB      LYS  27   5.577  -0.070  -4.154
  217    HB3  LYS  27           1HB      LYS  27   4.832   0.729  -5.539
  218    HG2  LYS  27           2HG      LYS  27   5.637   2.719  -4.869
  219    HG3  LYS  27           1HG      LYS  27   4.856   2.536  -3.298
  220    HD2  LYS  27           2HD      LYS  27   6.957   0.799  -3.051
  221    HD3  LYS  27           1HD      LYS  27   7.664   2.055  -4.069
  222    HE2  LYS  27           2HE      LYS  27   6.715   3.748  -2.379
  223    HE3  LYS  27           1HE      LYS  27   6.457   2.355  -1.309
  224    HZ1  LYS  27           3HZ      LYS  27   8.774   1.735  -1.623
  225    HZ2  LYS  27           1HZ      LYS  27   8.662   3.296  -0.973
  226    HZ3  LYS  27           2HZ      LYS  27   9.024   3.086  -2.619
  227    H    ARG  28           H        ARG  28   2.411   0.737  -6.118
  228    HA   ARG  28           HA       ARG  28   1.328   3.461  -5.594
  229    HB2  ARG  28           2HB      ARG  28   1.419   1.835  -8.142
  230    HB3  ARG  28           1HB      ARG  28   1.193   3.574  -7.995
  231    HG2  ARG  28           2HG      ARG  28   3.639   2.509  -6.708
  232    HG3  ARG  28           1HG      ARG  28   3.604   2.405  -8.467
  233    HD2  ARG  28           2HD      ARG  28   2.718   4.930  -8.207
  234    HD3  ARG  28           1HD      ARG  28   3.683   4.817  -6.721
  235    HE   ARG  28           HE       ARG  28   5.009   3.728  -9.100
  236   HH11  ARG  28          1HH2      ARG  28   4.418   6.469  -7.078
  237   HH12  ARG  28          2HH2      ARG  28   5.870   7.286  -7.548
  238   HH21  ARG  28          1HH1      ARG  28   6.899   4.789  -9.718
  239   HH22  ARG  28          2HH1      ARG  28   7.272   6.337  -9.037
  240    H    LEU  29           H        LEU  29   0.184   0.184  -5.875
  241    HA   LEU  29           HA       LEU  29  -2.582   1.192  -6.404
  242    HB2  LEU  29           2HB      LEU  29  -2.930  -1.347  -6.804
  243    HB3  LEU  29           1HB      LEU  29  -1.976  -0.439  -7.979
  244    HG   LEU  29           HG       LEU  29  -0.453  -1.560  -5.700
  245   HD11  LEU  29          1HD1      LEU  29  -0.824  -3.767  -6.078
  246   HD12  LEU  29          2HD1      LEU  29  -0.906  -3.542  -7.826
  247   HD13  LEU  29          3HD1      LEU  29  -2.329  -3.235  -6.828
  248   HD21  LEU  29          3HD2      LEU  29   0.701  -2.308  -8.098
  249   HD22  LEU  29          1HD2      LEU  29   1.064  -0.823  -7.220
  250   HD23  LEU  29          2HD2      LEU  29  -0.123  -0.808  -8.524
  251    H    CYS  30           H        CYS  30  -0.685  -0.379  -3.881
  252    HA   CYS  30           HA       CYS  30  -3.099  -0.278  -2.145
  253    HB2  CYS  30           2HB      CYS  30  -1.725  -2.689  -3.201
  254    HB3  CYS  30           1HB      CYS  30  -2.207  -2.748  -1.504
  255    HA   PRO  31           HA       PRO  31   1.061   0.412  -0.059
  256    HB2  PRO  31           2HB      PRO  31   1.123   3.141   0.021
  257    HB3  PRO  31           1HB      PRO  31   1.798   2.203  -1.327
  258    HG2  PRO  31           2HG      PRO  31  -0.727   3.734  -1.169
  259    HG3  PRO  31           1HG      PRO  31   0.331   3.429  -2.557
  260    HD2  PRO  31           2HD      PRO  31  -2.071   2.118  -2.019
  261    HD3  PRO  31           1HD      PRO  31  -0.810   1.566  -3.144
  262    H    ARG  32           H        ARG  32  -2.205   1.223   0.331
  263    HA   ARG  32           HA       ARG  32  -2.064   2.618   2.885
  264    HB2  ARG  32           2HB      ARG  32  -3.899   2.266   0.904
  265    HB3  ARG  32           1HB      ARG  32  -4.492   1.112   2.099
  266    HG2  ARG  32           2HG      ARG  32  -5.501   2.890   3.073
  267    HG3  ARG  32           1HG      ARG  32  -3.889   3.322   3.644
  268    HD2  ARG  32           2HD      ARG  32  -4.397   5.292   2.537
  269    HD3  ARG  32           1HD      ARG  32  -3.772   4.378   1.149
  270    HE   ARG  32           HE       ARG  32  -5.991   4.161   0.352
  271   HH11  ARG  32          1HH2      ARG  32  -5.887   5.126   3.668
  272   HH12  ARG  32          2HH2      ARG  32  -7.591   5.412   3.772
  273   HH21  ARG  32          1HH1      ARG  32  -8.213   4.536   0.477
  274   HH22  ARG  32          2HH1      ARG  32  -8.906   5.078   1.968
  275    H    SER  33           H        SER  33  -2.890  -0.733   1.930
  276    HA   SER  33           HA       SER  33  -3.399  -1.703   4.571
  277    HB2  SER  33           2HB      SER  33  -2.820  -2.780   1.860
  278    HB3  SER  33           1HB      SER  33  -2.633  -3.897   3.212
  279    HG   SER  33           HG       SER  33  -4.908  -2.255   3.051
  280    H    CYS  34           H        CYS  34  -0.385  -1.058   2.916
  281    HA   CYS  34           HA       CYS  34   1.060  -2.421   5.166
  282    HB2  CYS  34           2HB      CYS  34   1.490  -2.314   2.195
  283    HB3  CYS  34           1HB      CYS  34   2.846  -2.652   3.275
  284    H    ASP  35           H        ASP  35   0.361   0.549   3.807
  285    HA   ASP  35           HA       ASP  35   1.279   2.693   4.173
  286    HB2  ASP  35           2HB      ASP  35   1.901   0.981   6.357
  287    HB3  ASP  35           1HB      ASP  35   3.338   1.959   6.040
  288    H    PHE  36           H        PHE  36   2.440   1.131   1.984
  289    HA   PHE  36           HA       PHE  36   5.258   1.000   1.889
  290    HB2  PHE  36           2HB      PHE  36   3.086   1.684  -0.091
  291    HB3  PHE  36           1HB      PHE  36   4.784   1.778  -0.577
  292    HD1  PHE  36           2HD      PHE  36   2.472  -0.578   1.233
  293    HD2  PHE  36           1HD      PHE  36   5.796  -0.095  -1.443
  294    HE1  PHE  36           2HE      PHE  36   2.564  -3.034   0.894
  295    HE2  PHE  36           1HE      PHE  36   5.885  -2.548  -1.778
  296    HZ   PHE  36           HZ       PHE  36   4.269  -4.015  -0.610
  297    H    CYS  37           H        CYS  37   3.143   3.825   1.817
  298    HA   CYS  37           HA       CYS  37   5.353   5.666   1.161
  299    HB2  CYS  37           2HB      CYS  37   2.552   5.599   0.951
  300    HB3  CYS  37           1HB      CYS  37   2.887   6.843   2.161
  301    HXT  CYS  37           2H       CYS  37   4.454   5.533   5.168
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1  -0.284  14.009  -0.284
    2    HA   TYR   1           HA       TYR   1   0.642  12.816   1.549
    3    HB2  TYR   1           2HB      TYR   1  -2.005  11.485   1.050
    4    HB3  TYR   1           1HB      TYR   1  -0.870  10.738   2.173
    5    HD1  TYR   1           2HD      TYR   1  -1.349  14.377   1.506
    6    HD2  TYR   1           1HD      TYR   1  -1.882  11.143   4.282
    7    HE1  TYR   1           2HE      TYR   1  -2.010  15.996   3.267
    8    HE2  TYR   1           1HE      TYR   1  -2.542  12.761   6.041
    9    HH   TYR   1           HH       TYR   1  -2.444  16.263   5.448
   10    H    GLY   2           H        GLY   2  -0.535  10.935  -1.231
   11    HA2  GLY   2           2HA      GLY   2   0.894   9.603  -2.632
   12    HA3  GLY   2           1HA      GLY   2   2.096   9.578  -1.341
   13    H    CYS   3           H        CYS   3  -0.112   8.901   0.631
   14    HA   CYS   3           HA       CYS   3   0.074   5.985   0.292
   15    HB2  CYS   3           2HB      CYS   3  -1.225   7.727   2.413
   16    HB3  CYS   3           1HB      CYS   3  -0.875   6.005   2.565
   17    H    LEU   4           H        LEU   4  -1.327   5.762  -1.607
   18    HA   LEU   4           HA       LEU   4  -4.183   5.590  -0.845
   19    HB2  LEU   4           2HB      LEU   4  -4.801   7.382  -2.084
   20    HB3  LEU   4           1HB      LEU   4  -3.095   7.780  -2.226
   21    HG   LEU   4           HG       LEU   4  -3.086   6.146  -4.237
   22   HD11  LEU   4          1HD1      LEU   4  -5.114   5.502  -5.177
   23   HD12  LEU   4          2HD1      LEU   4  -6.001   6.824  -4.418
   24   HD13  LEU   4          3HD1      LEU   4  -5.512   5.425  -3.460
   25   HD21  LEU   4          3HD2      LEU   4  -2.810   8.338  -4.912
   26   HD22  LEU   4          1HD2      LEU   4  -4.249   8.890  -4.053
   27   HD23  LEU   4          2HD2      LEU   4  -4.409   8.045  -5.592
   28    H    ASP   5           H        ASP   5  -5.032   3.726  -1.643
   29    HA   ASP   5           HA       ASP   5  -3.370   2.038  -3.402
   30    HB2  ASP   5           2HB      ASP   5  -5.101   0.361  -2.788
   31    HB3  ASP   5           1HB      ASP   5  -4.429   1.160  -1.364
   32    H    ARG   6           H        ARG   6  -4.698   0.750  -5.127
   33    HA   ARG   6           HA       ARG   6  -6.522   2.663  -6.558
   34    HB2  ARG   6           2HB      ARG   6  -4.312   0.857  -7.587
   35    HB3  ARG   6           1HB      ARG   6  -5.435   1.724  -8.636
   36    HG2  ARG   6           2HG      ARG   6  -4.599   3.726  -6.958
   37    HG3  ARG   6           1HG      ARG   6  -3.140   2.748  -7.094
   38    HD2  ARG   6           2HD      ARG   6  -2.943   4.210  -8.928
   39    HD3  ARG   6           1HD      ARG   6  -3.692   2.784  -9.675
   40    HE   ARG   6           HE       ARG   6  -5.897   4.122  -8.877
   41   HH11  ARG   6          1HH2      ARG   6  -3.003   5.219 -10.434
   42   HH12  ARG   6          2HH2      ARG   6  -3.784   6.549 -11.217
   43   HH21  ARG   6          1HH1      ARG   6  -6.913   5.846  -9.910
   44   HH22  ARG   6          2HH1      ARG   6  -5.990   6.900 -10.928
   45    H    ILE   7           H        ILE   7  -6.675  -0.032  -4.852
   46    HA   ILE   7           HA       ILE   7  -8.890  -1.142  -6.470
   47    HB   ILE   7           HB       ILE   7  -7.790  -3.453  -6.164
   48   HG12  ILE   7          2HG1      ILE   7  -5.395  -1.651  -5.677
   49   HG13  ILE   7          1HG1      ILE   7  -6.109  -2.757  -4.504
   50   HG21  ILE   7          1HG2      ILE   7  -6.479  -3.196  -8.191
   51   HG22  ILE   7          2HG2      ILE   7  -6.337  -1.459  -7.925
   52   HG23  ILE   7          3HG2      ILE   7  -7.905  -2.165  -8.318
   53   HD11  ILE   7          3HD1      ILE   7  -5.458  -4.019  -7.071
   54   HD12  ILE   7          1HD1      ILE   7  -5.137  -4.564  -5.426
   55   HD13  ILE   7          2HD1      ILE   7  -4.053  -3.406  -6.196
   56    H    PHE   8           H        PHE   8  -9.239  -3.501  -4.938
   57    HA   PHE   8           HA       PHE   8  -9.513  -2.443  -2.147
   58    HB2  PHE   8           2HB      PHE   8 -11.753  -3.674  -2.194
   59    HB3  PHE   8           1HB      PHE   8 -11.655  -2.227  -3.201
   60    HD1  PHE   8           1HD      PHE   8 -11.114  -2.510  -5.689
   61    HD2  PHE   8           2HD      PHE   8 -12.225  -5.787  -3.142
   62    HE1  PHE   8           1HE      PHE   8 -11.694  -3.866  -7.685
   63    HE2  PHE   8           2HE      PHE   8 -12.801  -7.142  -5.138
   64    HZ   PHE   8           HZ       PHE   8 -12.536  -6.182  -7.407
   65    H    VAL   9           H        VAL   9  -7.389  -4.107  -2.914
   66    HA   VAL   9           HA       VAL   9  -8.053  -6.566  -1.373
   67    HB   VAL   9           HB       VAL   9  -7.009  -7.949  -3.120
   68   HG11  VAL   9          1HG1      VAL   9  -8.715  -7.640  -4.888
   69   HG12  VAL   9          2HG1      VAL   9  -9.118  -6.061  -4.211
   70   HG13  VAL   9          3HG1      VAL   9  -9.426  -7.525  -3.278
   71   HG21  VAL   9          3HG2      VAL   9  -6.667  -5.281  -4.513
   72   HG22  VAL   9          1HG2      VAL   9  -6.487  -6.835  -5.325
   73   HG23  VAL   9          2HG2      VAL   9  -5.392  -6.394  -4.014
   74    H    CYS  10           H        CYS  10  -6.510  -4.154  -0.733
   75    HA   CYS  10           HA       CYS  10  -3.665  -4.785  -0.972
   76    HB2  CYS  10           2HB      CYS  10  -4.928  -2.903   1.024
   77    HB3  CYS  10           1HB      CYS  10  -3.381  -2.741   0.194
   78    H    THR  11           H        THR  11  -6.043  -4.766   1.694
   79    HA   THR  11           HA       THR  11  -4.386  -5.763   3.761
   80    HB   THR  11           HB       THR  11  -7.336  -6.132   3.149
   81    HG1  THR  11           1HG      THR  11  -7.561  -4.325   4.394
   82   HG21  THR  11          3HG2      THR  11  -7.521  -6.494   5.629
   83   HG22  THR  11          1HG2      THR  11  -5.762  -6.599   5.694
   84   HG23  THR  11          2HG2      THR  11  -6.684  -7.794   4.781
   85    H    SER  12           H        SER  12  -6.702  -7.669   1.775
   86    HA   SER  12           HA       SER  12  -6.002 -10.241   2.621
   87    HB2  SER  12           2HB      SER  12  -7.336  -8.946   0.414
   88    HB3  SER  12           1HB      SER  12  -6.407 -10.317  -0.188
   89    HG   SER  12           HG       SER  12  -7.412 -11.475   1.660
   90    H    TRP  13           H        TRP  13  -4.400  -8.222   0.170
   91    HA   TRP  13           HA       TRP  13  -2.507 -10.151  -0.761
   92    HB2  TRP  13           2HB      TRP  13  -2.770  -7.160  -0.655
   93    HB3  TRP  13           1HB      TRP  13  -1.251  -7.863  -1.213
   94    HD1  TRP  13           HD       TRP  13  -3.576 -10.346  -2.230
   95    HE1  TRP  13           1HE      TRP  13  -4.406 -10.011  -4.644
   96    HE3  TRP  13           3HE      TRP  13  -2.152  -5.499  -2.995
   97    HZ2  TRP  13           2HZ      TRP  13  -4.463  -7.963  -6.637
   98    HZ3  TRP  13           3HZ      TRP  13  -2.611  -4.383  -5.159
   99    HH2  TRP  13           HH       TRP  13  -3.767  -5.603  -6.974
  100    H    ALA  14           H        ALA  14  -2.254  -7.676   1.809
  101    HA   ALA  14           HA       ALA  14   0.442  -8.203   2.566
  102    HB1  ALA  14           1HB      ALA  14  -1.719  -7.399   4.499
  103    HB2  ALA  14           2HB      ALA  14  -1.298  -6.331   3.160
  104    HB3  ALA  14           3HB      ALA  14  -0.076  -6.772   4.352
  105    H    ARG  15           H        ARG  15  -2.547  -9.894   3.320
  106    HA   ARG  15           HA       ARG  15  -1.539 -11.350   5.617
  107    HB2  ARG  15           2HB      ARG  15  -3.959 -10.922   4.279
  108    HB3  ARG  15           1HB      ARG  15  -3.648 -12.647   4.071
  109    HG2  ARG  15           2HG      ARG  15  -2.972 -11.993   6.755
  110    HG3  ARG  15           1HG      ARG  15  -4.547 -11.271   6.425
  111    HD2  ARG  15           2HD      ARG  15  -5.567 -13.303   6.364
  112    HD3  ARG  15           1HD      ARG  15  -4.286 -13.997   5.347
  113    HE   ARG  15           HE       ARG  15  -3.059 -13.645   7.807
  114   HH11  ARG  15          1HH2      ARG  15  -5.920 -15.202   6.657
  115   HH12  ARG  15          2HH2      ARG  15  -5.911 -16.414   7.893
  116   HH21  ARG  15          1HH1      ARG  15  -3.035 -15.221   9.421
  117   HH22  ARG  15          2HH1      ARG  15  -4.282 -16.424   9.460
  118    H    LYS  16           H        LYS  16  -0.747 -11.532   2.346
  119    HA   LYS  16           HA       LYS  16   0.021 -14.423   2.591
  120    HB2  LYS  16           2HB      LYS  16  -1.098 -12.704   0.426
  121    HB3  LYS  16           1HB      LYS  16   0.063 -13.939  -0.065
  122    HG2  LYS  16           2HG      LYS  16  -1.265 -15.688   0.935
  123    HG3  LYS  16           1HG      LYS  16  -2.347 -14.510   1.680
  124    HD2  LYS  16           2HD      LYS  16  -3.166 -13.798  -0.485
  125    HD3  LYS  16           1HD      LYS  16  -1.967 -14.792  -1.313
  126    HE2  LYS  16           2HE      LYS  16  -3.188 -16.708  -1.029
  127    HE3  LYS  16           1HE      LYS  16  -3.689 -16.252   0.611
  128    HZ1  LYS  16           3HZ      LYS  16  -4.854 -15.464  -1.969
  129    HZ2  LYS  16           1HZ      LYS  16  -4.948 -14.382  -0.666
  130    HZ3  LYS  16           2HZ      LYS  16  -5.635 -15.930  -0.534
  131    H    GLY  17           H        GLY  17   1.134 -11.172   2.127
  132    HA2  GLY  17           2HA      GLY  17   3.546 -10.757   2.561
  133    HA3  GLY  17           1HA      GLY  17   3.893 -12.227   1.642
  134    H    PHE  18           H        PHE  18   1.371 -10.598   0.165
  135    HA   PHE  18           HA       PHE  18   2.635 -10.074  -2.271
  136    HB2  PHE  18           2HB      PHE  18   0.151  -9.885  -1.286
  137    HB3  PHE  18           1HB      PHE  18   0.566  -8.172  -1.281
  138    HD1  PHE  18           1HD      PHE  18   0.936 -11.160  -3.526
  139    HD2  PHE  18           2HD      PHE  18   0.097  -6.958  -3.211
  140    HE1  PHE  18           1HE      PHE  18   0.525 -11.059  -5.968
  141    HE2  PHE  18           2HE      PHE  18  -0.315  -6.858  -5.655
  142    HZ   PHE  18           HZ       PHE  18  -0.102  -8.908  -7.034
  143    H    CYS  19           H        CYS  19   2.236  -7.812   0.481
  144    HA   CYS  19           HA       CYS  19   3.714  -5.684  -0.872
  145    HB2  CYS  19           2HB      CYS  19   2.989  -4.429   0.906
  146    HB3  CYS  19           1HB      CYS  19   1.831  -5.746   1.025
  147    H    ASP  20           H        ASP  20   4.785  -8.547   0.218
  148    HA   ASP  20           HA       ASP  20   7.390  -7.419   1.185
  149    HB2  ASP  20           2HB      ASP  20   5.556  -9.091   2.486
  150    HB3  ASP  20           1HB      ASP  20   6.821 -10.188   1.922
  151    H    VAL  21           H        VAL  21   5.706  -9.793  -0.805
  152    HA   VAL  21           HA       VAL  21   8.248 -10.875  -1.898
  153    HB   VAL  21           HB       VAL  21   5.360 -11.517  -2.572
  154   HG11  VAL  21          1HG1      VAL  21   6.348 -13.725  -3.174
  155   HG12  VAL  21          2HG1      VAL  21   7.950 -13.077  -2.825
  156   HG13  VAL  21          3HG1      VAL  21   6.997 -12.408  -4.151
  157   HG21  VAL  21          3HG2      VAL  21   5.149 -12.345  -0.489
  158   HG22  VAL  21          1HG2      VAL  21   6.822 -11.939  -0.114
  159   HG23  VAL  21          2HG2      VAL  21   6.439 -13.488  -0.863
  160    H    ARG  22           H        ARG  22   5.171  -9.643  -3.258
  161    HA   ARG  22           HA       ARG  22   6.589  -8.784  -5.721
  162    HB2  ARG  22           2HB      ARG  22   3.696  -8.981  -4.835
  163    HB3  ARG  22           1HB      ARG  22   4.173  -8.336  -6.407
  164    HG2  ARG  22           2HG      ARG  22   5.277 -10.987  -5.560
  165    HG3  ARG  22           1HG      ARG  22   3.608 -10.910  -6.128
  166    HD2  ARG  22           2HD      ARG  22   4.271 -10.044  -8.262
  167    HD3  ARG  22           1HD      ARG  22   5.917  -9.711  -7.688
  168    HE   ARG  22           HE       ARG  22   5.542 -12.434  -7.221
  169   HH11  ARG  22          1HH2      ARG  22   5.359 -10.280  -9.916
  170   HH12  ARG  22          2HH2      ARG  22   5.850 -11.474 -11.069
  171   HH21  ARG  22          1HH1      ARG  22   6.184 -14.001  -8.720
  172   HH22  ARG  22          2HH1      ARG  22   6.318 -13.576 -10.394
  173    H    GLN  23           H        GLN  23   6.084  -7.500  -2.750
  174    HA   GLN  23           HA       GLN  23   4.988  -5.145  -2.437
  175    HB2  GLN  23           2HB      GLN  23   7.171  -4.307  -1.493
  176    HB3  GLN  23           1HB      GLN  23   6.741  -5.947  -1.003
  177    HG2  GLN  23           2HG      GLN  23   8.813  -6.514  -1.705
  178    HG3  GLN  23           1HG      GLN  23   8.148  -6.385  -3.332
  179   HE21  GLN  23          1HE2      GLN  23  10.927  -5.702  -2.290
  180   HE22  GLN  23          2HE2      GLN  23  11.175  -4.087  -2.752
  181    H    ARG  24           H        ARG  24   7.676  -5.407  -4.823
  182    HA   ARG  24           HA       ARG  24   7.824  -2.660  -5.494
  183    HB2  ARG  24           2HB      ARG  24   9.070  -3.425  -7.350
  184    HB3  ARG  24           1HB      ARG  24   9.268  -4.701  -6.156
  185    HG2  ARG  24           2HG      ARG  24   8.130  -6.221  -7.411
  186    HG3  ARG  24           1HG      ARG  24   6.933  -5.044  -7.946
  187    HD2  ARG  24           2HD      ARG  24   8.038  -4.742  -9.903
  188    HD3  ARG  24           1HD      ARG  24   9.535  -4.378  -9.032
  189    HE   ARG  24           HE       ARG  24  10.124  -6.703  -9.093
  190   HH11  ARG  24          1HH2      ARG  24   6.981  -6.064 -10.416
  191   HH12  ARG  24          2HH2      ARG  24   6.888  -7.584 -11.230
  192   HH21  ARG  24          1HH1      ARG  24   9.987  -8.677 -10.149
  193   HH22  ARG  24          2HH1      ARG  24   8.575  -9.061 -11.078
  194    H    LEU  25           H        LEU  25   5.255  -4.863  -6.033
  195    HA   LEU  25           HA       LEU  25   4.124  -3.285  -8.282
  196    HB2  LEU  25           2HB      LEU  25   4.151  -5.703  -8.484
  197    HB3  LEU  25           1HB      LEU  25   3.396  -5.886  -6.900
  198    HG   LEU  25           HG       LEU  25   1.658  -4.195  -8.265
  199   HD11  LEU  25          1HD1      LEU  25   1.881  -6.451 -10.148
  200   HD12  LEU  25          2HD1      LEU  25   3.221  -5.308 -10.235
  201   HD13  LEU  25          3HD1      LEU  25   1.565  -4.745 -10.469
  202   HD21  LEU  25          3HD2      LEU  25   0.274  -6.355  -8.410
  203   HD22  LEU  25          1HD2      LEU  25   0.865  -5.910  -6.810
  204   HD23  LEU  25          2HD2      LEU  25   1.680  -7.173  -7.731
  205    H    MET  26           H        MET  26   3.162  -4.457  -5.023
  206    HA   MET  26           HA       MET  26   0.687  -3.047  -4.842
  207    HB2  MET  26           2HB      MET  26   1.735  -4.892  -3.376
  208    HB3  MET  26           1HB      MET  26   2.595  -3.586  -2.559
  209    HG2  MET  26           2HG      MET  26   0.246  -2.480  -2.355
  210    HG3  MET  26           1HG      MET  26  -0.369  -4.101  -2.677
  211    HE1  MET  26           3HE      MET  26  -0.820  -5.540   0.336
  212    HE2  MET  26           1HE      MET  26   0.453  -6.364  -0.576
  213    HE3  MET  26           2HE      MET  26  -0.850  -5.536  -1.426
  214    H    LYS  27           H        LYS  27   3.913  -1.876  -4.858
  215    HA   LYS  27           HA       LYS  27   3.978   0.319  -3.156
  216    HB2  LYS  27           2HB      LYS  27   5.484  -0.687  -5.191
  217    HB3  LYS  27           1HB      LYS  27   4.868   0.780  -5.952
  218    HG2  LYS  27           2HG      LYS  27   5.991   2.173  -4.506
  219    HG3  LYS  27           1HG      LYS  27   5.895   1.030  -3.165
  220    HD2  LYS  27           2HD      LYS  27   7.592  -0.395  -4.262
  221    HD3  LYS  27           1HD      LYS  27   7.705   0.766  -5.584
  222    HE2  LYS  27           2HE      LYS  27   8.203   2.506  -3.680
  223    HE3  LYS  27           1HE      LYS  27   8.619   1.065  -2.730
  224    HZ1  LYS  27           3HZ      LYS  27   9.603   1.107  -5.460
  225    HZ2  LYS  27           1HZ      LYS  27  10.370   0.583  -4.041
  226    HZ3  LYS  27           2HZ      LYS  27  10.319   2.240  -4.417
  227    H    ARG  28           H        ARG  28   2.756   0.415  -6.532
  228    HA   ARG  28           HA       ARG  28   1.334   2.958  -5.915
  229    HB2  ARG  28           2HB      ARG  28   1.941   1.416  -8.458
  230    HB3  ARG  28           1HB      ARG  28   1.088   2.958  -8.420
  231    HG2  ARG  28           2HG      ARG  28   3.050   3.994  -7.304
  232    HG3  ARG  28           1HG      ARG  28   3.904   2.455  -7.412
  233    HD2  ARG  28           2HD      ARG  28   4.442   2.809  -9.592
  234    HD3  ARG  28           1HD      ARG  28   2.784   3.298  -9.992
  235    HE   ARG  28           HE       ARG  28   4.039   5.329  -8.391
  236   HH11  ARG  28          1HH2      ARG  28   4.004   3.914 -11.544
  237   HH12  ARG  28          2HH2      ARG  28   4.507   5.367 -12.340
  238   HH21  ARG  28          1HH1      ARG  28   4.694   7.228  -9.426
  239   HH22  ARG  28          2HH1      ARG  28   4.893   7.239 -11.146
  240    H    LEU  29           H        LEU  29   0.725  -0.400  -6.149
  241    HA   LEU  29           HA       LEU  29  -2.060  -0.161  -7.068
  242    HB2  LEU  29           2HB      LEU  29  -0.029  -2.224  -6.522
  243    HB3  LEU  29           1HB      LEU  29  -1.667  -2.711  -6.076
  244    HG   LEU  29           HG       LEU  29  -0.714  -1.753  -8.788
  245   HD11  LEU  29          1HD1      LEU  29  -1.708  -4.003  -9.434
  246   HD12  LEU  29          2HD1      LEU  29  -1.841  -4.349  -7.708
  247   HD13  LEU  29          3HD1      LEU  29  -0.256  -4.086  -8.437
  248   HD21  LEU  29          3HD2      LEU  29  -3.367  -2.613  -8.983
  249   HD22  LEU  29          1HD2      LEU  29  -2.806  -0.943  -9.067
  250   HD23  LEU  29          2HD2      LEU  29  -3.341  -1.617  -7.527
  251    H    CYS  30           H        CYS  30  -0.351  -0.831  -4.004
  252    HA   CYS  30           HA       CYS  30  -2.768  -0.020  -2.490
  253    HB2  CYS  30           2HB      CYS  30  -1.742  -2.784  -2.894
  254    HB3  CYS  30           1HB      CYS  30  -2.293  -2.383  -1.270
  255    HA   PRO  31           HA       PRO  31   1.301   0.794  -0.412
  256    HB2  PRO  31           2HB      PRO  31   1.146   3.518  -0.379
  257    HB3  PRO  31           1HB      PRO  31   1.824   2.609  -1.746
  258    HG2  PRO  31           2HG      PRO  31  -0.790   3.957  -1.483
  259    HG3  PRO  31           1HG      PRO  31   0.195   3.667  -2.925
  260    HD2  PRO  31           2HD      PRO  31  -2.073   2.224  -2.140
  261    HD3  PRO  31           1HD      PRO  31  -0.897   1.740  -3.383
  262    H    ARG  32           H        ARG  32  -1.991   1.333   0.174
  263    HA   ARG  32           HA       ARG  32  -1.771   2.768   2.710
  264    HB2  ARG  32           2HB      ARG  32  -3.960   1.224   1.295
  265    HB3  ARG  32           1HB      ARG  32  -4.216   2.106   2.802
  266    HG2  ARG  32           2HG      ARG  32  -2.830   3.708   0.790
  267    HG3  ARG  32           1HG      ARG  32  -4.424   3.177   0.253
  268    HD2  ARG  32           2HD      ARG  32  -4.203   4.228   3.045
  269    HD3  ARG  32           1HD      ARG  32  -4.145   5.400   1.713
  270    HE   ARG  32           HE       ARG  32  -6.250   3.500   1.249
  271   HH11  ARG  32          1HH2      ARG  32  -5.334   6.217   3.174
  272   HH12  ARG  32          2HH2      ARG  32  -6.963   6.742   3.437
  273   HH21  ARG  32          1HH1      ARG  32  -8.377   4.180   1.581
  274   HH22  ARG  32          2HH1      ARG  32  -8.682   5.591   2.540
  275    H    SER  33           H        SER  33  -1.800  -0.592   1.695
  276    HA   SER  33           HA       SER  33  -2.403  -1.677   4.338
  277    HB2  SER  33           2HB      SER  33  -1.786  -2.594   1.596
  278    HB3  SER  33           1HB      SER  33  -1.272  -3.697   2.874
  279    HG   SER  33           HG       SER  33  -3.439  -3.475   3.719
  280    H    CYS  34           H        CYS  34   0.545  -2.050   2.327
  281    HA   CYS  34           HA       CYS  34   2.152  -2.616   4.724
  282    HB2  CYS  34           2HB      CYS  34   2.134  -3.423   2.134
  283    HB3  CYS  34           1HB      CYS  34   3.401  -2.200   2.071
  284    H    ASP  35           H        ASP  35   1.299   0.188   2.941
  285    HA   ASP  35           HA       ASP  35   1.955   2.438   3.282
  286    HB2  ASP  35           2HB      ASP  35   2.382   1.290   5.636
  287    HB3  ASP  35           1HB      ASP  35   4.077   1.517   5.190
  288    H    PHE  36           H        PHE  36   2.865   1.747   1.008
  289    HA   PHE  36           HA       PHE  36   5.786   1.468   0.835
  290    HB2  PHE  36           2HB      PHE  36   3.446   1.724  -1.051
  291    HB3  PHE  36           1HB      PHE  36   5.101   1.857  -1.660
  292    HD1  PHE  36           1HD      PHE  36   2.662  -0.389  -0.021
  293    HD2  PHE  36           2HD      PHE  36   6.601  -0.033  -1.687
  294    HE1  PHE  36           1HE      PHE  36   2.893  -2.846   0.003
  295    HE2  PHE  36           2HE      PHE  36   6.830  -2.498  -1.666
  296    HZ   PHE  36           HZ       PHE  36   4.974  -3.910  -0.822
  297    H    CYS  37           H        CYS  37   3.944   4.009   1.727
  298    HA   CYS  37           HA       CYS  37   4.737   6.167   0.024
  299    HB2  CYS  37           2HB      CYS  37   3.854   5.844   2.888
  300    HB3  CYS  37           1HB      CYS  37   4.305   7.438   2.270
  301    HXT  CYS  37           2H       CYS  37   8.237   6.189   0.803
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1   4.600  12.562  -4.983
    2    HA   TYR   1           HA       TYR   1   4.769  11.724  -2.776
    3    HB2  TYR   1           2HB      TYR   1   4.326  13.372  -1.003
    4    HB3  TYR   1           1HB      TYR   1   5.193  14.141  -2.333
    5    HD1  TYR   1           1HD      TYR   1   3.709  15.235  -4.198
    6    HD2  TYR   1           2HD      TYR   1   2.325  14.325  -0.234
    7    HE1  TYR   1           1HE      TYR   1   1.864  16.869  -4.468
    8    HE2  TYR   1           2HE      TYR   1   0.480  15.962  -0.504
    9    HH   TYR   1           HH       TYR   1  -0.805  16.954  -2.589
   10    H    GLY   2           H        GLY   2   1.762  12.850  -4.093
   11    HA2  GLY   2           2HA      GLY   2  -0.013  11.854  -2.065
   12    HA3  GLY   2           1HA      GLY   2  -0.457  12.168  -3.743
   13    H    CYS   3           H        CYS   3   0.211   9.737  -1.444
   14    HA   CYS   3           HA       CYS   3   0.268   7.660  -3.610
   15    HB2  CYS   3           2HB      CYS   3   2.311   7.815  -2.238
   16    HB3  CYS   3           1HB      CYS   3   1.349   7.639  -0.771
   17    H    LEU   4           H        LEU   4  -1.082   5.784  -3.248
   18    HA   LEU   4           HA       LEU   4  -2.735   5.465  -0.891
   19    HB2  LEU   4           2HB      LEU   4  -4.854   6.217  -1.950
   20    HB3  LEU   4           1HB      LEU   4  -3.692   7.539  -1.823
   21    HG   LEU   4           HG       LEU   4  -3.114   6.288  -4.271
   22   HD11  LEU   4          1HD1      LEU   4  -5.361   5.182  -4.032
   23   HD12  LEU   4          2HD1      LEU   4  -5.233   6.225  -5.448
   24   HD13  LEU   4          3HD1      LEU   4  -6.094   6.786  -4.015
   25   HD21  LEU   4          3HD2      LEU   4  -4.897   8.689  -4.167
   26   HD22  LEU   4          1HD2      LEU   4  -3.425   8.427  -5.103
   27   HD23  LEU   4          2HD2      LEU   4  -3.321   8.796  -3.381
   28    H    ASP   5           H        ASP   5  -4.587   3.877  -1.409
   29    HA   ASP   5           HA       ASP   5  -3.497   1.741  -3.132
   30    HB2  ASP   5           2HB      ASP   5  -5.015   0.370  -1.893
   31    HB3  ASP   5           1HB      ASP   5  -4.381   1.540  -0.735
   32    H    ARG   6           H        ARG   6  -4.355   1.245  -5.128
   33    HA   ARG   6           HA       ARG   6  -6.635   2.866  -6.115
   34    HB2  ARG   6           2HB      ARG   6  -4.318   1.371  -7.194
   35    HB3  ARG   6           1HB      ARG   6  -5.768   1.323  -8.197
   36    HG2  ARG   6           2HG      ARG   6  -5.865   3.714  -8.331
   37    HG3  ARG   6           1HG      ARG   6  -4.642   3.897  -7.072
   38    HD2  ARG   6           2HD      ARG   6  -3.293   4.180  -8.944
   39    HD3  ARG   6           1HD      ARG   6  -3.216   2.412  -8.815
   40    HE   ARG   6           HE       ARG   6  -5.527   2.864 -10.275
   41   HH11  ARG   6          1HH2      ARG   6  -2.211   3.803 -10.514
   42   HH12  ARG   6          2HH2      ARG   6  -2.226   3.883 -12.244
   43   HH21  ARG   6          1HH1      ARG   6  -5.555   2.965 -12.530
   44   HH22  ARG   6          2HH1      ARG   6  -4.115   3.410 -13.383
   45    H    ILE   7           H        ILE   7  -6.069  -0.230  -4.792
   46    HA   ILE   7           HA       ILE   7  -8.664  -1.224  -5.940
   47    HB   ILE   7           HB       ILE   7  -6.645  -3.159  -4.918
   48   HG12  ILE   7          2HG1      ILE   7  -6.263  -1.867  -7.635
   49   HG13  ILE   7          1HG1      ILE   7  -5.292  -1.448  -6.223
   50   HG21  ILE   7          1HG2      ILE   7  -7.960  -3.295  -7.596
   51   HG22  ILE   7          2HG2      ILE   7  -8.981  -3.444  -6.165
   52   HG23  ILE   7          3HG2      ILE   7  -7.656  -4.579  -6.427
   53   HD11  ILE   7          3HD1      ILE   7  -4.116  -3.383  -6.292
   54   HD12  ILE   7          1HD1      ILE   7  -4.670  -3.463  -7.965
   55   HD13  ILE   7          2HD1      ILE   7  -5.539  -4.341  -6.704
   56    H    PHE   8           H        PHE   8  -8.679  -3.529  -4.198
   57    HA   PHE   8           HA       PHE   8  -8.821  -2.283  -1.490
   58    HB2  PHE   8           2HB      PHE   8 -11.080  -2.749  -1.293
   59    HB3  PHE   8           1HB      PHE   8 -10.997  -2.509  -3.038
   60    HD1  PHE   8           1HD      PHE   8 -10.724  -4.550  -4.544
   61    HD2  PHE   8           2HD      PHE   8 -11.687  -4.846  -0.368
   62    HE1  PHE   8           1HE      PHE   8 -11.526  -6.873  -4.892
   63    HE2  PHE   8           2HE      PHE   8 -12.489  -7.166  -0.716
   64    HZ   PHE   8           HZ       PHE   8 -12.409  -8.179  -2.977
   65    H    VAL   9           H        VAL   9  -7.587  -4.735  -3.344
   66    HA   VAL   9           HA       VAL   9  -7.844  -6.891  -1.335
   67    HB   VAL   9           HB       VAL   9  -6.748  -8.208  -3.050
   68   HG11  VAL   9          1HG1      VAL   9  -9.134  -7.527  -3.428
   69   HG12  VAL   9          2HG1      VAL   9  -8.256  -7.855  -4.922
   70   HG13  VAL   9          3HG1      VAL   9  -8.551  -6.190  -4.420
   71   HG21  VAL   9          3HG2      VAL   9  -5.063  -6.337  -3.550
   72   HG22  VAL   9          1HG2      VAL   9  -6.293  -5.660  -4.617
   73   HG23  VAL   9          2HG2      VAL   9  -5.634  -7.263  -4.937
   74    H    CYS  10           H        CYS  10  -6.275  -4.240  -0.962
   75    HA   CYS  10           HA       CYS  10  -3.480  -4.707  -0.945
   76    HB2  CYS  10           2HB      CYS  10  -5.105  -3.171   1.109
   77    HB3  CYS  10           1HB      CYS  10  -3.432  -2.865   0.630
   78    H    THR  11           H        THR  11  -5.944  -5.453   1.520
   79    HA   THR  11           HA       THR  11  -4.030  -6.589   3.403
   80    HB   THR  11           HB       THR  11  -7.049  -6.705   3.111
   81    HG1  THR  11           1HG      THR  11  -5.407  -5.226   4.882
   82   HG21  THR  11          3HG2      THR  11  -7.155  -8.062   4.907
   83   HG22  THR  11          1HG2      THR  11  -5.964  -7.102   5.784
   84   HG23  THR  11          2HG2      THR  11  -5.434  -8.361   4.670
   85    H    SER  12           H        SER  12  -6.489  -7.955   1.188
   86    HA   SER  12           HA       SER  12  -6.064 -10.702   1.690
   87    HB2  SER  12           2HB      SER  12  -6.609  -9.385  -0.987
   88    HB3  SER  12           1HB      SER  12  -7.126 -10.987  -0.469
   89    HG   SER  12           HG       SER  12  -8.316  -8.609  -0.097
   90    H    TRP  13           H        TRP  13  -4.041  -8.377   0.103
   91    HA   TRP  13           HA       TRP  13  -2.409 -10.398  -1.298
   92    HB2  TRP  13           2HB      TRP  13  -2.643  -7.427  -1.084
   93    HB3  TRP  13           1HB      TRP  13  -1.081  -8.080  -1.578
   94    HD1  TRP  13           HD       TRP  13  -2.971 -10.623  -2.991
   95    HE1  TRP  13           1HE      TRP  13  -3.759 -10.134  -5.393
   96    HE3  TRP  13           3HE      TRP  13  -2.358  -5.555  -3.105
   97    HZ2  TRP  13           2HZ      TRP  13  -4.089  -7.890  -7.136
   98    HZ3  TRP  13           3HZ      TRP  13  -2.916  -4.267  -5.147
   99    HH2  TRP  13           HH       TRP  13  -3.781  -5.425  -7.160
  100    H    ALA  14           H        ALA  14  -1.933  -7.981   1.300
  101    HA   ALA  14           HA       ALA  14   0.727  -8.709   1.997
  102    HB1  ALA  14           1HB      ALA  14  -0.739  -6.701   2.659
  103    HB2  ALA  14           2HB      ALA  14   0.296  -7.367   3.923
  104    HB3  ALA  14           3HB      ALA  14  -1.425  -7.754   3.896
  105    H    ARG  15           H        ARG  15  -2.213 -10.436   2.439
  106    HA   ARG  15           HA       ARG  15  -1.337 -11.932   4.815
  107    HB2  ARG  15           2HB      ARG  15  -3.720 -11.459   3.256
  108    HB3  ARG  15           1HB      ARG  15  -3.492 -13.195   3.474
  109    HG2  ARG  15           2HG      ARG  15  -3.097 -11.412   5.844
  110    HG3  ARG  15           1HG      ARG  15  -4.747 -11.744   5.315
  111    HD2  ARG  15           2HD      ARG  15  -4.337 -14.167   5.473
  112    HD3  ARG  15           1HD      ARG  15  -2.661 -13.857   5.971
  113    HE   ARG  15           HE       ARG  15  -5.015 -13.528   7.656
  114   HH11  ARG  15          1HH2      ARG  15  -1.827 -12.419   6.924
  115   HH12  ARG  15          2HH2      ARG  15  -1.531 -11.819   8.521
  116   HH21  ARG  15          1HH1      ARG  15  -4.637 -12.751   9.742
  117   HH22  ARG  15          2HH1      ARG  15  -3.117 -12.009  10.115
  118    H    LYS  16           H        LYS  16  -0.647 -12.063   1.501
  119    HA   LYS  16           HA       LYS  16   0.036 -14.982   1.677
  120    HB2  LYS  16           2HB      LYS  16  -1.277 -13.262  -0.317
  121    HB3  LYS  16           1HB      LYS  16  -0.013 -14.286  -1.000
  122    HG2  LYS  16           2HG      LYS  16  -2.135 -15.382   0.853
  123    HG3  LYS  16           1HG      LYS  16  -2.370 -15.300  -0.894
  124    HD2  LYS  16           2HD      LYS  16  -0.247 -16.598  -1.187
  125    HD3  LYS  16           1HD      LYS  16  -0.165 -16.781   0.565
  126    HE2  LYS  16           2HE      LYS  16  -2.771 -17.522  -0.639
  127    HE3  LYS  16           1HE      LYS  16  -1.411 -18.584  -1.056
  128    HZ1  LYS  16           3HZ      LYS  16  -1.977 -19.446   0.969
  129    HZ2  LYS  16           1HZ      LYS  16  -2.546 -17.968   1.577
  130    HZ3  LYS  16           2HZ      LYS  16  -0.875 -18.255   1.474
  131    H    GLY  17           H        GLY  17   1.404 -11.995   1.882
  132    HA2  GLY  17           2HA      GLY  17   3.778 -11.612   1.976
  133    HA3  GLY  17           1HA      GLY  17   4.020 -13.022   0.937
  134    H    PHE  18           H        PHE  18   1.797 -10.298   0.405
  135    HA   PHE  18           HA       PHE  18   2.981  -9.918  -2.288
  136    HB2  PHE  18           2HB      PHE  18   0.471 -10.089  -1.540
  137    HB3  PHE  18           1HB      PHE  18   0.675  -8.396  -1.103
  138    HD1  PHE  18           2HD      PHE  18   1.852  -6.896  -2.966
  139    HD2  PHE  18           1HD      PHE  18  -0.173 -10.608  -3.718
  140    HE1  PHE  18           2HE      PHE  18   1.552  -6.250  -5.340
  141    HE2  PHE  18           1HE      PHE  18  -0.473  -9.962  -6.093
  142    HZ   PHE  18           HZ       PHE  18   0.389  -7.783  -6.904
  143    H    CYS  19           H        CYS  19   3.057  -8.463   0.854
  144    HA   CYS  19           HA       CYS  19   3.942  -5.831  -0.196
  145    HB2  CYS  19           2HB      CYS  19   2.928  -7.001   2.332
  146    HB3  CYS  19           1HB      CYS  19   4.104  -5.702   2.524
  147    H    ASP  20           H        ASP  20   5.452  -8.666   0.036
  148    HA   ASP  20           HA       ASP  20   8.014  -7.429   0.988
  149    HB2  ASP  20           2HB      ASP  20   6.551  -9.879   1.783
  150    HB3  ASP  20           1HB      ASP  20   8.287 -10.097   1.534
  151    H    VAL  21           H        VAL  21   6.403  -9.727  -1.177
  152    HA   VAL  21           HA       VAL  21   8.961 -10.077  -2.685
  153    HB   VAL  21           HB       VAL  21   7.382 -11.964  -1.753
  154   HG11  VAL  21          1HG1      VAL  21   5.996 -11.278  -4.363
  155   HG12  VAL  21          2HG1      VAL  21   5.318 -10.990  -2.762
  156   HG13  VAL  21          3HG1      VAL  21   5.620 -12.639  -3.306
  157   HG21  VAL  21          3HG2      VAL  21   8.232 -12.071  -4.660
  158   HG22  VAL  21          1HG2      VAL  21   8.095 -13.426  -3.537
  159   HG23  VAL  21          2HG2      VAL  21   9.357 -12.215  -3.309
  160    H    ARG  22           H        ARG  22   5.540  -9.177  -3.086
  161    HA   ARG  22           HA       ARG  22   6.086  -8.279  -5.875
  162    HB2  ARG  22           2HB      ARG  22   4.006  -9.626  -4.582
  163    HB3  ARG  22           1HB      ARG  22   3.370  -8.002  -4.844
  164    HG2  ARG  22           2HG      ARG  22   2.841  -9.267  -6.814
  165    HG3  ARG  22           1HG      ARG  22   4.172  -8.193  -7.247
  166    HD2  ARG  22           2HD      ARG  22   5.680  -9.927  -7.457
  167    HD3  ARG  22           1HD      ARG  22   4.899 -10.894  -6.189
  168    HE   ARG  22           HE       ARG  22   3.179 -10.509  -8.504
  169   HH11  ARG  22          1HH2      ARG  22   5.768 -12.340  -7.133
  170   HH12  ARG  22          2HH2      ARG  22   5.434 -13.755  -8.075
  171   HH21  ARG  22          1HH1      ARG  22   2.737 -12.347  -9.733
  172   HH22  ARG  22          2HH1      ARG  22   3.721 -13.760  -9.544
  173    H    GLN  23           H        GLN  23   6.295  -6.989  -2.844
  174    HA   GLN  23           HA       GLN  23   4.948  -4.677  -2.468
  175    HB2  GLN  23           2HB      GLN  23   7.150  -3.705  -1.722
  176    HB3  GLN  23           1HB      GLN  23   6.869  -5.350  -1.142
  177    HG2  GLN  23           2HG      GLN  23   8.336  -6.284  -2.771
  178    HG3  GLN  23           1HG      GLN  23   8.387  -4.783  -3.694
  179   HE21  GLN  23          1HE2      GLN  23  10.428  -3.866  -3.438
  180   HE22  GLN  23          2HE2      GLN  23  11.276  -3.770  -1.971
  181    H    ARG  24           H        ARG  24   7.222  -5.199  -5.132
  182    HA   ARG  24           HA       ARG  24   7.643  -2.615  -6.103
  183    HB2  ARG  24           2HB      ARG  24   7.195  -5.314  -7.367
  184    HB3  ARG  24           1HB      ARG  24   7.485  -3.901  -8.383
  185    HG2  ARG  24           2HG      ARG  24   9.689  -4.033  -7.970
  186    HG3  ARG  24           1HG      ARG  24   9.385  -3.877  -6.240
  187    HD2  ARG  24           2HD      ARG  24  10.553  -5.981  -6.600
  188    HD3  ARG  24           1HD      ARG  24   8.865  -6.372  -6.215
  189    HE   ARG  24           HE       ARG  24   8.905  -6.048  -8.987
  190   HH11  ARG  24          1HH2      ARG  24  10.536  -7.984  -6.635
  191   HH12  ARG  24          2HH2      ARG  24  10.761  -9.324  -7.707
  192   HH21  ARG  24          1HH1      ARG  24   9.196  -7.791 -10.394
  193   HH22  ARG  24          2HH1      ARG  24  10.006  -9.216  -9.833
  194    H    LEU  25           H        LEU  25   4.685  -4.550  -6.252
  195    HA   LEU  25           HA       LEU  25   3.365  -2.479  -7.939
  196    HB2  LEU  25           2HB      LEU  25   3.196  -4.841  -8.579
  197    HB3  LEU  25           1HB      LEU  25   2.537  -5.240  -6.992
  198    HG   LEU  25           HG       LEU  25   1.020  -3.076  -8.138
  199   HD11  LEU  25          1HD1      LEU  25   1.397  -3.700 -10.341
  200   HD12  LEU  25          2HD1      LEU  25   0.035  -4.752  -9.949
  201   HD13  LEU  25          3HD1      LEU  25   1.680  -5.390  -9.923
  202   HD21  LEU  25          3HD2      LEU  25  -0.774  -4.952  -7.968
  203   HD22  LEU  25          1HD2      LEU  25   0.009  -4.421  -6.479
  204   HD23  LEU  25          2HD2      LEU  25   0.519  -5.919  -7.258
  205    H    MET  26           H        MET  26   2.538  -4.378  -5.002
  206    HA   MET  26           HA       MET  26   0.306  -3.039  -4.092
  207    HB2  MET  26           2HB      MET  26   1.207  -4.922  -2.925
  208    HB3  MET  26           1HB      MET  26   2.736  -4.094  -2.628
  209    HG2  MET  26           2HG      MET  26   1.922  -3.311  -0.685
  210    HG3  MET  26           1HG      MET  26   0.670  -2.448  -1.576
  211    HE1  MET  26           3HE      MET  26   0.349  -6.655  -1.748
  212    HE2  MET  26           1HE      MET  26   0.778  -6.643  -0.032
  213    HE3  MET  26           2HE      MET  26   1.819  -5.845  -1.210
  214    H    LYS  27           H        LYS  27   3.681  -1.961  -3.651
  215    HA   LYS  27           HA       LYS  27   3.238   0.304  -2.016
  216    HB2  LYS  27           2HB      LYS  27   5.453  -0.421  -2.419
  217    HB3  LYS  27           1HB      LYS  27   5.216  -0.458  -4.166
  218    HG2  LYS  27           2HG      LYS  27   6.561   1.482  -3.653
  219    HG3  LYS  27           1HG      LYS  27   4.954   2.053  -4.100
  220    HD2  LYS  27           2HD      LYS  27   4.666   3.005  -2.083
  221    HD3  LYS  27           1HD      LYS  27   5.061   1.493  -1.265
  222    HE2  LYS  27           2HE      LYS  27   7.282   2.072  -0.978
  223    HE3  LYS  27           1HE      LYS  27   7.326   3.040  -2.466
  224    HZ1  LYS  27           3HZ      LYS  27   7.255   4.621  -0.769
  225    HZ2  LYS  27           1HZ      LYS  27   6.128   3.741   0.145
  226    HZ3  LYS  27           2HZ      LYS  27   5.639   4.516  -1.285
  227    H    ARG  28           H        ARG  28   2.273  -0.234  -5.289
  228    HA   ARG  28           HA       ARG  28   2.043   2.679  -5.851
  229    HB2  ARG  28           2HB      ARG  28   1.897   0.122  -7.442
  230    HB3  ARG  28           1HB      ARG  28   1.382   1.659  -8.137
  231    HG2  ARG  28           2HG      ARG  28   3.809   2.306  -6.986
  232    HG3  ARG  28           1HG      ARG  28   4.092   0.672  -7.592
  233    HD2  ARG  28           2HD      ARG  28   2.845   1.646  -9.749
  234    HD3  ARG  28           1HD      ARG  28   3.492   3.173  -9.118
  235    HE   ARG  28           HE       ARG  28   5.488   1.078  -9.037
  236   HH11  ARG  28          1HH2      ARG  28   3.847   3.346 -11.059
  237   HH12  ARG  28          2HH2      ARG  28   5.145   3.466 -12.197
  238   HH21  ARG  28          1HH1      ARG  28   7.188   1.227 -10.519
  239   HH22  ARG  28          2HH1      ARG  28   7.033   2.269 -11.894
  240    H    LEU  29           H        LEU  29  -0.039  -0.249  -5.662
  241    HA   LEU  29           HA       LEU  29  -2.389   1.621  -5.650
  242    HB2  LEU  29           2HB      LEU  29  -3.523  -0.550  -6.603
  243    HB3  LEU  29           1HB      LEU  29  -2.551   0.471  -7.667
  244    HG   LEU  29           HG       LEU  29  -1.240  -1.772  -6.154
  245   HD11  LEU  29          1HD1      LEU  29  -2.475  -3.312  -7.240
  246   HD12  LEU  29          2HD1      LEU  29  -1.827  -2.687  -8.758
  247   HD13  LEU  29          3HD1      LEU  29  -3.344  -2.054  -8.119
  248   HD21  LEU  29          3HD2      LEU  29  -0.363   0.198  -7.902
  249   HD22  LEU  29          1HD2      LEU  29  -0.535  -1.211  -8.948
  250   HD23  LEU  29          2HD2      LEU  29   0.504  -1.291  -7.526
  251    H    CYS  30           H        CYS  30  -0.712  -0.114  -3.478
  252    HA   CYS  30           HA       CYS  30  -3.100  -0.527  -1.809
  253    HB2  CYS  30           2HB      CYS  30  -1.738  -2.662  -3.301
  254    HB3  CYS  30           1HB      CYS  30  -1.938  -3.018  -1.583
  255    HA   PRO  31           HA       PRO  31   1.039   0.039   0.359
  256    HB2  PRO  31           2HB      PRO  31   1.076   2.745   0.716
  257    HB3  PRO  31           1HB      PRO  31   1.766   1.958  -0.719
  258    HG2  PRO  31           2HG      PRO  31  -0.762   3.460  -0.420
  259    HG3  PRO  31           1HG      PRO  31   0.294   3.285  -1.831
  260    HD2  PRO  31           2HD      PRO  31  -2.112   1.926  -1.392
  261    HD3  PRO  31           1HD      PRO  31  -0.869   1.517  -2.597
  262    H    ARG  32           H        ARG  32  -1.992   1.857   0.760
  263    HA   ARG  32           HA       ARG  32  -2.077   2.684   3.352
  264    HB2  ARG  32           2HB      ARG  32  -4.076   1.135   1.700
  265    HB3  ARG  32           1HB      ARG  32  -4.503   1.806   3.274
  266    HG2  ARG  32           2HG      ARG  32  -3.359   3.987   2.199
  267    HG3  ARG  32           1HG      ARG  32  -3.912   3.209   0.716
  268    HD2  ARG  32           2HD      ARG  32  -6.204   3.003   1.753
  269    HD3  ARG  32           1HD      ARG  32  -5.614   3.991   3.106
  270    HE   ARG  32           HE       ARG  32  -4.882   5.349   0.745
  271   HH11  ARG  32          1HH2      ARG  32  -7.738   4.292   2.377
  272   HH12  ARG  32          2HH2      ARG  32  -8.716   5.585   1.772
  273   HH21  ARG  32          1HH1      ARG  32  -6.149   7.038  -0.048
  274   HH22  ARG  32          2HH1      ARG  32  -7.819   7.139   0.402
  275    H    SER  33           H        SER  33  -2.730  -0.713   2.417
  276    HA   SER  33           HA       SER  33  -3.160  -1.778   4.990
  277    HB2  SER  33           2HB      SER  33  -2.305  -2.724   2.309
  278    HB3  SER  33           1HB      SER  33  -1.995  -3.828   3.651
  279    HG   SER  33           HG       SER  33  -4.091  -4.064   3.949
  280    H    CYS  34           H        CYS  34  -0.076  -2.074   3.173
  281    HA   CYS  34           HA       CYS  34   1.365  -2.737   5.644
  282    HB2  CYS  34           2HB      CYS  34   2.312  -2.268   2.806
  283    HB3  CYS  34           1HB      CYS  34   3.192  -3.121   4.077
  284    H    ASP  35           H        ASP  35   0.225   0.084   5.198
  285    HA   ASP  35           HA       ASP  35   0.950   2.326   5.479
  286    HB2  ASP  35           2HB      ASP  35   2.361   0.455   7.247
  287    HB3  ASP  35           1HB      ASP  35   3.234   1.975   7.019
  288    H    PHE  36           H        PHE  36   2.216   0.661   3.198
  289    HA   PHE  36           HA       PHE  36   4.935   1.263   2.790
  290    HB2  PHE  36           2HB      PHE  36   2.513   0.990   1.021
  291    HB3  PHE  36           1HB      PHE  36   4.096   1.326   0.321
  292    HD1  PHE  36           1HD      PHE  36   4.655  -0.461   3.298
  293    HD2  PHE  36           2HD      PHE  36   3.290  -1.015  -0.736
  294    HE1  PHE  36           1HE      PHE  36   5.231  -2.865   3.431
  295    HE2  PHE  36           2HE      PHE  36   3.863  -3.411  -0.601
  296    HZ   PHE  36           HZ       PHE  36   4.838  -4.344   1.481
  297    H    CYS  37           H        CYS  37   2.160   3.406   2.690
  298    HA   CYS  37           HA       CYS  37   3.996   5.638   1.888
  299    HB2  CYS  37           2HB      CYS  37   1.133   4.981   1.166
  300    HB3  CYS  37           1HB      CYS  37   1.799   6.601   0.941
  301    HXT  CYS  37           2H       CYS  37   1.005   7.003   4.265
  Start of MODEL   14
    1    H1   TYR   1           H        TYR   1   3.986  13.432  -0.452
    2    HA   TYR   1           HA       TYR   1   3.137  11.856   1.942
    3    HB2  TYR   1           2HB      TYR   1   3.536  14.708   1.219
    4    HB3  TYR   1           1HB      TYR   1   2.179  14.375   2.294
    5    HD1  TYR   1           1HD      TYR   1   3.107  12.089   3.863
    6    HD2  TYR   1           2HD      TYR   1   5.256  15.571   2.559
    7    HE1  TYR   1           1HE      TYR   1   4.678  11.832   5.765
    8    HE2  TYR   1           2HE      TYR   1   6.826  15.315   4.460
    9    HH   TYR   1           HH       TYR   1   7.346  14.150   6.267
   10    H    GLY   2           H        GLY   2   1.906  10.833  -0.222
   11    HA2  GLY   2           2HA      GLY   2  -0.882  11.339   0.242
   12    HA3  GLY   2           1HA      GLY   2  -0.385  12.101  -1.270
   13    H    CYS   3           H        CYS   3  -0.089   8.960   0.424
   14    HA   CYS   3           HA       CYS   3  -0.172   7.621  -2.257
   15    HB2  CYS   3           2HB      CYS   3   0.915   5.755  -0.991
   16    HB3  CYS   3           1HB      CYS   3   1.849   7.249  -0.925
   17    H    LEU   4           H        LEU   4  -1.657   5.906  -2.559
   18    HA   LEU   4           HA       LEU   4  -3.355   4.934  -0.388
   19    HB2  LEU   4           2HB      LEU   4  -5.416   5.960  -1.216
   20    HB3  LEU   4           1HB      LEU   4  -4.233   7.224  -0.879
   21    HG   LEU   4           HG       LEU   4  -3.904   6.264  -3.582
   22   HD11  LEU   4          1HD1      LEU   4  -6.149   7.324  -4.339
   23   HD12  LEU   4          2HD1      LEU   4  -6.685   7.016  -2.687
   24   HD13  LEU   4          3HD1      LEU   4  -6.187   5.675  -3.717
   25   HD21  LEU   4          3HD2      LEU   4  -4.433   8.842  -2.142
   26   HD22  LEU   4          1HD2      LEU   4  -4.637   8.799  -3.893
   27   HD23  LEU   4          2HD2      LEU   4  -3.077   8.398  -3.177
   28    H    ASP   5           H        ASP   5  -4.677   3.168  -1.096
   29    HA   ASP   5           HA       ASP   5  -3.668   1.782  -3.460
   30    HB2  ASP   5           2HB      ASP   5  -4.894  -0.049  -2.535
   31    HB3  ASP   5           1HB      ASP   5  -4.279   0.856  -1.149
   32    H    ARG   6           H        ARG   6  -5.468   0.643  -4.855
   33    HA   ARG   6           HA       ARG   6  -7.706   2.539  -5.446
   34    HB2  ARG   6           2HB      ARG   6  -5.463   1.543  -7.179
   35    HB3  ARG   6           1HB      ARG   6  -7.018   1.924  -7.918
   36    HG2  ARG   6           2HG      ARG   6  -6.798   4.149  -6.517
   37    HG3  ARG   6           1HG      ARG   6  -5.080   3.751  -6.539
   38    HD2  ARG   6           2HD      ARG   6  -5.047   4.778  -8.575
   39    HD3  ARG   6           1HD      ARG   6  -5.867   3.324  -9.177
   40    HE   ARG   6           HE       ARG   6  -7.691   5.226  -7.920
   41   HH11  ARG   6          1HH2      ARG   6  -6.029   4.284 -10.797
   42   HH12  ARG   6          2HH2      ARG   6  -7.171   5.036 -11.858
   43   HH21  ARG   6          1HH1      ARG   6  -9.189   6.210  -9.292
   44   HH22  ARG   6          2HH1      ARG   6  -8.962   6.125 -11.007
   45    H    ILE   7           H        ILE   7  -6.906  -0.531  -4.593
   46    HA   ILE   7           HA       ILE   7  -9.327  -1.647  -5.950
   47    HB   ILE   7           HB       ILE   7  -8.047  -3.657  -6.518
   48   HG12  ILE   7          2HG1      ILE   7  -5.897  -2.222  -4.958
   49   HG13  ILE   7          1HG1      ILE   7  -6.452  -3.886  -4.791
   50   HG21  ILE   7          1HG2      ILE   7  -7.166  -2.713  -8.397
   51   HG22  ILE   7          2HG2      ILE   7  -6.156  -1.596  -7.481
   52   HG23  ILE   7          3HG2      ILE   7  -7.859  -1.225  -7.752
   53   HD11  ILE   7          3HD1      ILE   7  -4.355  -2.822  -6.492
   54   HD12  ILE   7          1HD1      ILE   7  -5.553  -3.704  -7.439
   55   HD13  ILE   7          2HD1      ILE   7  -4.730  -4.500  -6.101
   56    H    PHE   8           H        PHE   8  -9.820  -3.910  -4.870
   57    HA   PHE   8           HA       PHE   8  -9.612  -3.501  -1.920
   58    HB2  PHE   8           2HB      PHE   8 -11.689  -4.605  -1.817
   59    HB3  PHE   8           1HB      PHE   8 -11.793  -3.701  -3.330
   60    HD1  PHE   8           1HD      PHE   8 -11.342  -7.039  -1.817
   61    HD2  PHE   8           2HD      PHE   8 -11.714  -4.836  -5.486
   62    HE1  PHE   8           1HE      PHE   8 -11.702  -9.159  -3.052
   63    HE2  PHE   8           2HE      PHE   8 -12.074  -6.958  -6.721
   64    HZ   PHE   8           HZ       PHE   8 -12.068  -9.118  -5.505
   65    H    VAL   9           H        VAL   9  -8.328  -5.497  -4.393
   66    HA   VAL   9           HA       VAL   9  -8.093  -7.955  -2.861
   67    HB   VAL   9           HB       VAL   9  -8.069  -7.845  -5.318
   68   HG11  VAL   9          1HG1      VAL   9  -5.671  -7.013  -6.176
   69   HG12  VAL   9          2HG1      VAL   9  -5.811  -5.981  -4.752
   70   HG13  VAL   9          3HG1      VAL   9  -7.037  -5.911  -6.019
   71   HG21  VAL   9          3HG2      VAL   9  -6.836  -9.658  -4.089
   72   HG22  VAL   9          1HG2      VAL   9  -5.363  -8.705  -4.255
   73   HG23  VAL   9          2HG2      VAL   9  -6.180  -9.324  -5.691
   74    H    CYS  10           H        CYS  10  -6.722  -5.004  -2.300
   75    HA   CYS  10           HA       CYS  10  -3.944  -5.594  -1.867
   76    HB2  CYS  10           2HB      CYS  10  -4.663  -3.342  -2.037
   77    HB3  CYS  10           1HB      CYS  10  -5.939  -3.564  -0.848
   78    H    THR  11           H        THR  11  -6.622  -5.277   0.490
   79    HA   THR  11           HA       THR  11  -5.264  -5.970   2.795
   80    HB   THR  11           HB       THR  11  -7.748  -5.319   2.268
   81    HG1  THR  11           1HG      THR  11  -7.508  -5.372   4.347
   82   HG21  THR  11          3HG2      THR  11  -9.293  -7.256   2.499
   83   HG22  THR  11          1HG2      THR  11  -7.908  -8.342   2.399
   84   HG23  THR  11          2HG2      THR  11  -8.338  -7.334   1.018
   85    H    SER  12           H        SER  12  -6.782  -8.262   0.502
   86    HA   SER  12           HA       SER  12  -6.094 -10.645   1.940
   87    HB2  SER  12           2HB      SER  12  -6.152 -11.068  -0.898
   88    HB3  SER  12           1HB      SER  12  -7.401 -11.440   0.285
   89    HG   SER  12           HG       SER  12  -8.188  -9.966  -1.229
   90    H    TRP  13           H        TRP  13  -4.312  -8.649  -0.357
   91    HA   TRP  13           HA       TRP  13  -2.205 -10.512  -0.960
   92    HB2  TRP  13           2HB      TRP  13  -2.646  -7.541  -1.057
   93    HB3  TRP  13           1HB      TRP  13  -1.041  -8.187  -1.399
   94    HD1  TRP  13           HD       TRP  13  -2.689 -10.913  -2.685
   95    HE1  TRP  13           1HE      TRP  13  -3.381 -10.673  -5.157
   96    HE3  TRP  13           3HE      TRP  13  -2.413  -5.847  -3.184
   97    HZ2  TRP  13           2HZ      TRP  13  -3.765  -8.594  -7.093
   98    HZ3  TRP  13           3HZ      TRP  13  -2.944  -4.757  -5.341
   99    HH2  TRP  13           HH       TRP  13  -3.623  -6.120  -7.294
  100    H    ALA  14           H        ALA  14  -2.103  -7.637   1.189
  101    HA   ALA  14           HA       ALA  14   0.402  -8.241   2.392
  102    HB1  ALA  14           1HB      ALA  14  -0.385  -6.061   2.668
  103    HB2  ALA  14           2HB      ALA  14  -0.728  -6.749   4.256
  104    HB3  ALA  14           3HB      ALA  14  -2.019  -6.597   3.063
  105    H    ARG  15           H        ARG  15  -2.697  -9.704   2.879
  106    HA   ARG  15           HA       ARG  15  -2.429 -10.532   5.616
  107    HB2  ARG  15           2HB      ARG  15  -4.052 -11.172   3.220
  108    HB3  ARG  15           1HB      ARG  15  -3.959 -12.455   4.427
  109    HG2  ARG  15           2HG      ARG  15  -4.473 -10.555   6.140
  110    HG3  ARG  15           1HG      ARG  15  -5.041  -9.661   4.729
  111    HD2  ARG  15           2HD      ARG  15  -7.000 -10.795   4.828
  112    HD3  ARG  15           1HD      ARG  15  -6.119 -12.317   4.584
  113    HE   ARG  15           HE       ARG  15  -5.872 -11.301   7.305
  114   HH11  ARG  15          1HH2      ARG  15  -7.809 -13.097   5.076
  115   HH12  ARG  15          2HH2      ARG  15  -8.569 -14.047   6.306
  116   HH21  ARG  15          1HH1      ARG  15  -6.855 -12.538   8.914
  117   HH22  ARG  15          2HH1      ARG  15  -8.032 -13.730   8.478
  118    H    LYS  16           H        LYS  16  -0.613 -11.419   2.880
  119    HA   LYS  16           HA       LYS  16   0.294 -13.920   4.276
  120    HB2  LYS  16           2HB      LYS  16  -1.155 -14.353   2.300
  121    HB3  LYS  16           1HB      LYS  16  -0.036 -13.430   1.297
  122    HG2  LYS  16           2HG      LYS  16   0.601 -15.701   0.992
  123    HG3  LYS  16           1HG      LYS  16   1.783 -15.048   2.123
  124    HD2  LYS  16           2HD      LYS  16  -0.641 -16.146   3.394
  125    HD3  LYS  16           1HD      LYS  16   0.348 -17.339   2.553
  126    HE2  LYS  16           2HE      LYS  16   2.234 -16.917   3.908
  127    HE3  LYS  16           1HE      LYS  16   1.612 -15.341   4.437
  128    HZ1  LYS  16           3HZ      LYS  16  -0.386 -16.860   5.203
  129    HZ2  LYS  16           1HZ      LYS  16   0.956 -16.591   6.204
  130    HZ3  LYS  16           2HZ      LYS  16   0.845 -18.028   5.303
  131    H    GLY  17           H        GLY  17   1.153 -10.882   3.067
  132    HA2  GLY  17           2HA      GLY  17   3.444 -10.076   3.511
  133    HA3  GLY  17           1HA      GLY  17   4.034 -11.681   3.054
  134    H    PHE  18           H        PHE  18   1.501 -10.019   1.298
  135    HA   PHE  18           HA       PHE  18   2.837 -10.336  -1.239
  136    HB2  PHE  18           2HB      PHE  18   0.358 -10.244  -0.689
  137    HB3  PHE  18           1HB      PHE  18   0.548  -8.503  -0.490
  138    HD1  PHE  18           1HD      PHE  18   1.307  -7.100  -2.431
  139    HD2  PHE  18           2HD      PHE  18   0.286 -11.251  -2.854
  140    HE1  PHE  18           1HE      PHE  18   1.098  -6.799  -4.884
  141    HE2  PHE  18           2HE      PHE  18   0.079 -10.951  -5.305
  142    HZ   PHE  18           HZ       PHE  18   0.484  -8.726  -6.322
  143    H    CYS  19           H        CYS  19   2.633  -7.688   1.100
  144    HA   CYS  19           HA       CYS  19   3.613  -5.634  -0.702
  145    HB2  CYS  19           2HB      CYS  19   3.672  -4.303   1.283
  146    HB3  CYS  19           1HB      CYS  19   2.292  -5.387   1.462
  147    H    ASP  20           H        ASP  20   5.148  -8.261   0.867
  148    HA   ASP  20           HA       ASP  20   7.811  -6.904   0.795
  149    HB2  ASP  20           2HB      ASP  20   6.504  -9.094   2.316
  150    HB3  ASP  20           1HB      ASP  20   8.214  -9.338   1.943
  151    H    VAL  21           H        VAL  21   5.886  -9.405  -0.707
  152    HA   VAL  21           HA       VAL  21   8.233 -10.488  -2.188
  153    HB   VAL  21           HB       VAL  21   5.304 -11.288  -2.171
  154   HG11  VAL  21          1HG1      VAL  21   6.282 -12.296  -4.055
  155   HG12  VAL  21          2HG1      VAL  21   6.480 -13.528  -2.809
  156   HG13  VAL  21          3HG1      VAL  21   7.840 -12.499  -3.254
  157   HG21  VAL  21          3HG2      VAL  21   7.179 -11.442  -0.074
  158   HG22  VAL  21          1HG2      VAL  21   7.115 -13.063  -0.765
  159   HG23  VAL  21          2HG2      VAL  21   5.639 -12.296  -0.180
  160    H    ARG  22           H        ARG  22   5.065  -8.966  -2.759
  161    HA   ARG  22           HA       ARG  22   5.730  -8.578  -5.635
  162    HB2  ARG  22           2HB      ARG  22   3.232  -8.220  -3.949
  163    HB3  ARG  22           1HB      ARG  22   3.303  -7.874  -5.678
  164    HG2  ARG  22           2HG      ARG  22   4.385 -10.511  -4.939
  165    HG3  ARG  22           1HG      ARG  22   2.665 -10.323  -4.604
  166    HD2  ARG  22           2HD      ARG  22   2.128 -10.313  -6.818
  167    HD3  ARG  22           1HD      ARG  22   3.487  -9.247  -7.227
  168    HE   ARG  22           HE       ARG  22   4.346 -11.919  -6.434
  169   HH11  ARG  22          1HH2      ARG  22   3.217  -9.891  -8.990
  170   HH12  ARG  22          2HH2      ARG  22   3.918 -10.859 -10.242
  171   HH21  ARG  22          1HH1      ARG  22   5.265 -13.189  -8.059
  172   HH22  ARG  22          2HH1      ARG  22   5.078 -12.723  -9.716
  173    H    GLN  23           H        GLN  23   6.321  -6.992  -2.826
  174    HA   GLN  23           HA       GLN  23   5.669  -4.490  -2.478
  175    HB2  GLN  23           2HB      GLN  23   7.812  -5.625  -1.803
  176    HB3  GLN  23           1HB      GLN  23   8.495  -5.140  -3.359
  177    HG2  GLN  23           2HG      GLN  23   7.189  -3.003  -1.748
  178    HG3  GLN  23           1HG      GLN  23   8.726  -3.622  -1.144
  179   HE21  GLN  23          1HE2      GLN  23   9.957  -1.721  -1.728
  180   HE22  GLN  23          2HE2      GLN  23  10.245  -1.294  -3.345
  181    H    ARG  24           H        ARG  24   7.549  -5.225  -5.471
  182    HA   ARG  24           HA       ARG  24   7.532  -2.614  -6.558
  183    HB2  ARG  24           2HB      ARG  24   7.815  -3.854  -8.729
  184    HB3  ARG  24           1HB      ARG  24   8.873  -4.437  -7.443
  185    HG2  ARG  24           2HG      ARG  24   6.728  -6.022  -7.012
  186    HG3  ARG  24           1HG      ARG  24   6.571  -5.780  -8.752
  187    HD2  ARG  24           2HD      ARG  24   9.286  -6.255  -8.459
  188    HD3  ARG  24           1HD      ARG  24   8.558  -7.357  -7.275
  189    HE   ARG  24           HE       ARG  24   7.517  -8.523  -9.058
  190   HH11  ARG  24          1HH2      ARG  24   8.778  -5.464 -10.060
  191   HH12  ARG  24          2HH2      ARG  24   8.505  -5.760 -11.744
  192   HH21  ARG  24          1HH1      ARG  24   7.156  -8.914 -11.249
  193   HH22  ARG  24          2HH1      ARG  24   7.587  -7.709 -12.416
  194    H    LEU  25           H        LEU  25   5.069  -5.175  -6.821
  195    HA   LEU  25           HA       LEU  25   3.351  -3.688  -8.626
  196    HB2  LEU  25           2HB      LEU  25   3.550  -6.212  -8.204
  197    HB3  LEU  25           1HB      LEU  25   2.602  -5.934  -6.743
  198    HG   LEU  25           HG       LEU  25   1.234  -4.555  -8.766
  199   HD11  LEU  25          1HD1      LEU  25   2.059  -5.582 -10.647
  200   HD12  LEU  25          2HD1      LEU  25   0.892  -6.821 -10.190
  201   HD13  LEU  25          3HD1      LEU  25   2.592  -7.009  -9.760
  202   HD21  LEU  25          3HD2      LEU  25   0.334  -5.853  -6.808
  203   HD22  LEU  25          1HD2      LEU  25   0.679  -7.339  -7.694
  204   HD23  LEU  25          2HD2      LEU  25  -0.506  -6.193  -8.320
  205    H    MET  26           H        MET  26   2.622  -4.759  -5.291
  206    HA   MET  26           HA       MET  26   0.459  -3.147  -4.701
  207    HB2  MET  26           2HB      MET  26   1.700  -4.898  -3.309
  208    HB3  MET  26           1HB      MET  26   2.784  -3.598  -2.815
  209    HG2  MET  26           2HG      MET  26   1.255  -3.352  -1.132
  210    HG3  MET  26           1HG      MET  26   0.401  -2.404  -2.350
  211    HE1  MET  26           3HE      MET  26  -0.860  -4.265   0.312
  212    HE2  MET  26           1HE      MET  26   0.615  -5.163  -0.076
  213    HE3  MET  26           2HE      MET  26  -0.952  -5.965  -0.143
  214    H    LYS  27           H        LYS  27   3.801  -2.124  -5.027
  215    HA   LYS  27           HA       LYS  27   4.023   0.244  -3.649
  216    HB2  LYS  27           2HB      LYS  27   5.170  -1.007  -5.907
  217    HB3  LYS  27           1HB      LYS  27   4.815   0.648  -6.403
  218    HG2  LYS  27           2HG      LYS  27   5.850   1.007  -3.873
  219    HG3  LYS  27           1HG      LYS  27   6.809  -0.342  -4.483
  220    HD2  LYS  27           2HD      LYS  27   7.905   0.969  -5.966
  221    HD3  LYS  27           1HD      LYS  27   6.420   1.771  -6.477
  222    HE2  LYS  27           2HE      LYS  27   7.608   2.407  -3.779
  223    HE3  LYS  27           1HE      LYS  27   8.221   3.206  -5.241
  224    HZ1  LYS  27           3HZ      LYS  27   5.602   3.404  -3.984
  225    HZ2  LYS  27           1HZ      LYS  27   5.611   3.340  -5.680
  226    HZ3  LYS  27           2HZ      LYS  27   6.468   4.564  -4.872
  227    H    ARG  28           H        ARG  28   2.407  -0.049  -6.842
  228    HA   ARG  28           HA       ARG  28   1.263   2.681  -6.468
  229    HB2  ARG  28           2HB      ARG  28   0.664   2.305  -8.898
  230    HB3  ARG  28           1HB      ARG  28   2.392   2.240  -8.557
  231    HG2  ARG  28           2HG      ARG  28   2.494  -0.075  -8.794
  232    HG3  ARG  28           1HG      ARG  28   0.780  -0.288  -8.443
  233    HD2  ARG  28           2HD      ARG  28   1.814   1.058 -10.962
  234    HD3  ARG  28           1HD      ARG  28   1.350  -0.647 -10.870
  235    HE   ARG  28           HE       ARG  28  -0.933   0.014 -10.432
  236   HH11  ARG  28          1HH2      ARG  28   1.242   2.694 -10.857
  237   HH12  ARG  28          2HH2      ARG  28  -0.030   3.823 -11.156
  238   HH21  ARG  28          1HH1      ARG  28  -2.568   1.499 -10.807
  239   HH22  ARG  28          2HH1      ARG  28  -2.173   3.155 -11.124
  240    H    LEU  29           H        LEU  29   0.309  -0.708  -6.670
  241    HA   LEU  29           HA       LEU  29  -2.510  -0.250  -7.093
  242    HB2  LEU  29           2HB      LEU  29  -0.759  -2.504  -6.129
  243    HB3  LEU  29           1HB      LEU  29  -2.519  -2.672  -6.102
  244    HG   LEU  29           HG       LEU  29  -0.784  -2.077  -8.519
  245   HD11  LEU  29          1HD1      LEU  29  -2.740  -4.308  -8.438
  246   HD12  LEU  29          2HD1      LEU  29  -1.329  -4.483  -7.396
  247   HD13  LEU  29          3HD1      LEU  29  -1.120  -4.257  -9.132
  248   HD21  LEU  29          3HD2      LEU  29  -3.633  -1.587  -7.971
  249   HD22  LEU  29          1HD2      LEU  29  -3.353  -2.556  -9.417
  250   HD23  LEU  29          2HD2      LEU  29  -2.617  -0.960  -9.268
  251    H    CYS  30           H        CYS  30  -0.675  -1.057  -4.103
  252    HA   CYS  30           HA       CYS  30  -2.717   0.444  -2.537
  253    HB2  CYS  30           2HB      CYS  30  -3.506  -1.879  -2.718
  254    HB3  CYS  30           1HB      CYS  30  -1.954  -2.461  -2.109
  255    HA   PRO  31           HA       PRO  31   1.581   0.934  -0.969
  256    HB2  PRO  31           2HB      PRO  31   1.612   3.663  -1.027
  257    HB3  PRO  31           1HB      PRO  31   2.034   2.665  -2.434
  258    HG2  PRO  31           2HG      PRO  31  -0.441   4.185  -1.865
  259    HG3  PRO  31           1HG      PRO  31   0.328   3.812  -3.415
  260    HD2  PRO  31           2HD      PRO  31  -1.899   2.521  -2.344
  261    HD3  PRO  31           1HD      PRO  31  -0.880   1.918  -3.671
  262    H    ARG  32           H        ARG  32  -1.527   1.582   0.098
  263    HA   ARG  32           HA       ARG  32  -0.699   3.001   2.577
  264    HB2  ARG  32           2HB      ARG  32  -2.660   3.738   1.265
  265    HB3  ARG  32           1HB      ARG  32  -3.397   2.150   1.480
  266    HG2  ARG  32           2HG      ARG  32  -3.548   2.455   3.863
  267    HG3  ARG  32           1HG      ARG  32  -2.586   3.932   3.788
  268    HD2  ARG  32           2HD      ARG  32  -4.502   4.720   2.125
  269    HD3  ARG  32           1HD      ARG  32  -5.448   3.499   3.001
  270    HE   ARG  32           HE       ARG  32  -5.296   4.842   4.949
  271   HH11  ARG  32          1HH2      ARG  32  -3.037   5.811   2.519
  272   HH12  ARG  32          2HH2      ARG  32  -2.566   7.254   3.352
  273   HH21  ARG  32          1HH1      ARG  32  -4.688   6.723   6.039
  274   HH22  ARG  32          2HH1      ARG  32  -3.499   7.770   5.338
  275    H    SER  33           H        SER  33  -0.824  -0.174   1.588
  276    HA   SER  33           HA       SER  33  -2.064  -1.300   4.013
  277    HB2  SER  33           2HB      SER  33  -1.609  -2.093   1.378
  278    HB3  SER  33           1HB      SER  33  -0.507  -3.095   2.319
  279    HG   SER  33           HG       SER  33  -2.186  -3.932   3.412
  280    H    CYS  34           H        CYS  34   1.107  -2.021   2.515
  281    HA   CYS  34           HA       CYS  34   2.223  -2.666   5.152
  282    HB2  CYS  34           2HB      CYS  34   2.594  -3.441   2.515
  283    HB3  CYS  34           1HB      CYS  34   4.054  -2.520   2.875
  284    H    ASP  35           H        ASP  35   1.545   0.245   4.181
  285    HA   ASP  35           HA       ASP  35   2.428   2.344   4.799
  286    HB2  ASP  35           2HB      ASP  35   3.601   2.105   6.715
  287    HB3  ASP  35           1HB      ASP  35   3.717   0.380   6.382
  288    H    PHE  36           H        PHE  36   3.132   0.774   2.227
  289    HA   PHE  36           HA       PHE  36   5.634   1.148   1.152
  290    HB2  PHE  36           2HB      PHE  36   2.863   1.708   0.112
  291    HB3  PHE  36           1HB      PHE  36   4.270   1.944  -0.929
  292    HD1  PHE  36           1HD      PHE  36   2.425  -0.569   1.102
  293    HD2  PHE  36           2HD      PHE  36   5.469   0.108  -1.851
  294    HE1  PHE  36           1HE      PHE  36   2.514  -3.000   0.637
  295    HE2  PHE  36           2HE      PHE  36   5.559  -2.324  -2.316
  296    HZ   PHE  36           HZ       PHE  36   4.083  -3.877  -1.072
  297    H    CYS  37           H        CYS  37   3.345   3.723   1.981
  298    HA   CYS  37           HA       CYS  37   4.374   5.949   0.679
  299    HB2  CYS  37           2HB      CYS  37   2.701   5.360   2.853
  300    HB3  CYS  37           1HB      CYS  37   3.914   6.464   3.511
  301    HXT  CYS  37           2H       CYS  37   7.791   6.063   1.699
  Start of MODEL   15
    1    H1   TYR   1           H        TYR   1  -2.580  12.761  -1.142
    2    HA   TYR   1           HA       TYR   1  -1.723  12.547  -3.609
    3    HB2  TYR   1           2HB      TYR   1  -1.482  14.533  -1.979
    4    HB3  TYR   1           1HB      TYR   1   0.151  13.939  -1.685
    5    HD1  TYR   1           1HD      TYR   1  -2.132  15.404  -4.187
    6    HD2  TYR   1           2HD      TYR   1   1.862  14.031  -3.407
    7    HE1  TYR   1           1HE      TYR   1  -1.347  16.507  -6.265
    8    HE2  TYR   1           2HE      TYR   1   2.647  15.134  -5.483
    9    HH   TYR   1           HH       TYR   1   1.126  17.454  -7.019
   10    H    GLY   2           H        GLY   2  -1.089  10.014  -2.970
   11    HA2  GLY   2           2HA      GLY   2   0.831   8.815  -4.063
   12    HA3  GLY   2           1HA      GLY   2   1.896   9.905  -3.174
   13    H    CYS   3           H        CYS   3  -0.949   8.766  -1.565
   14    HA   CYS   3           HA       CYS   3   0.506   6.543  -0.239
   15    HB2  CYS   3           2HB      CYS   3  -0.360   9.153   1.009
   16    HB3  CYS   3           1HB      CYS   3  -0.148   7.700   1.985
   17    H    LEU   4           H        LEU   4  -1.719   6.274  -1.893
   18    HA   LEU   4           HA       LEU   4  -3.841   5.520   0.076
   19    HB2  LEU   4           2HB      LEU   4  -5.513   6.492  -1.420
   20    HB3  LEU   4           1HB      LEU   4  -4.315   7.720  -1.012
   21    HG   LEU   4           HG       LEU   4  -3.385   6.287  -3.309
   22   HD11  LEU   4          1HD1      LEU   4  -5.186   6.831  -4.898
   23   HD12  LEU   4          2HD1      LEU   4  -6.189   7.418  -3.572
   24   HD13  LEU   4          3HD1      LEU   4  -5.766   5.708  -3.668
   25   HD21  LEU   4          3HD2      LEU   4  -3.997   8.737  -4.239
   26   HD22  LEU   4          1HD2      LEU   4  -2.611   8.455  -3.184
   27   HD23  LEU   4          2HD2      LEU   4  -4.124   9.064  -2.512
   28    H    ASP   5           H        ASP   5  -5.204   3.801  -0.680
   29    HA   ASP   5           HA       ASP   5  -3.824   1.815  -2.295
   30    HB2  ASP   5           2HB      ASP   5  -5.897   0.532  -1.748
   31    HB3  ASP   5           1HB      ASP   5  -5.161   1.265  -0.322
   32    H    ARG   6           H        ARG   6  -4.278   1.214  -4.426
   33    HA   ARG   6           HA       ARG   6  -6.115   3.010  -5.934
   34    HB2  ARG   6           2HB      ARG   6  -3.618   1.526  -6.359
   35    HB3  ARG   6           1HB      ARG   6  -4.737   1.431  -7.721
   36    HG2  ARG   6           2HG      ARG   6  -3.717   3.407  -8.258
   37    HG3  ARG   6           1HG      ARG   6  -4.964   4.045  -7.193
   38    HD2  ARG   6           2HD      ARG   6  -3.465   4.531  -5.511
   39    HD3  ARG   6           1HD      ARG   6  -2.411   3.161  -5.917
   40    HE   ARG   6           HE       ARG   6  -2.177   4.725  -8.147
   41   HH11  ARG   6          1HH2      ARG   6  -1.967   5.361  -4.758
   42   HH12  ARG   6          2HH2      ARG   6  -0.888   6.701  -4.947
   43   HH21  ARG   6          1HH1      ARG   6  -0.774   6.470  -8.405
   44   HH22  ARG   6          2HH1      ARG   6  -0.214   7.330  -7.010
   45    H    ILE   7           H        ILE   7  -6.230  -0.043  -4.505
   46    HA   ILE   7           HA       ILE   7  -8.395  -0.873  -6.405
   47    HB   ILE   7           HB       ILE   7  -6.614  -2.920  -5.136
   48   HG12  ILE   7          2HG1      ILE   7  -5.882  -1.504  -7.716
   49   HG13  ILE   7          1HG1      ILE   7  -5.104  -1.164  -6.169
   50   HG21  ILE   7          1HG2      ILE   7  -7.968  -4.163  -6.431
   51   HG22  ILE   7          2HG2      ILE   7  -7.121  -3.493  -7.824
   52   HG23  ILE   7          3HG2      ILE   7  -8.604  -2.733  -7.245
   53   HD11  ILE   7          3HD1      ILE   7  -4.740  -3.729  -6.041
   54   HD12  ILE   7          1HD1      ILE   7  -3.696  -2.789  -7.108
   55   HD13  ILE   7          2HD1      ILE   7  -5.048  -3.703  -7.777
   56    H    PHE   8           H        PHE   8  -8.498  -3.426  -4.753
   57    HA   PHE   8           HA       PHE   8  -9.507  -2.353  -2.166
   58    HB2  PHE   8           2HB      PHE   8 -11.013  -3.341  -4.473
   59    HB3  PHE   8           1HB      PHE   8 -11.407  -4.215  -2.990
   60    HD1  PHE   8           1HD      PHE   8 -11.167  -0.817  -4.497
   61    HD2  PHE   8           2HD      PHE   8 -12.678  -3.198  -1.257
   62    HE1  PHE   8           1HE      PHE   8 -12.548   1.097  -3.734
   63    HE2  PHE   8           2HE      PHE   8 -14.059  -1.286  -0.494
   64    HZ   PHE   8           HZ       PHE   8 -13.995   0.862  -1.732
   65    H    VAL   9           H        VAL   9  -7.200  -4.096  -3.041
   66    HA   VAL   9           HA       VAL   9  -7.908  -6.504  -1.398
   67    HB   VAL   9           HB       VAL   9  -6.552  -7.818  -2.957
   68   HG11  VAL   9          1HG1      VAL   9  -8.168  -6.264  -4.896
   69   HG12  VAL   9          2HG1      VAL   9  -9.035  -6.831  -3.468
   70   HG13  VAL   9          3HG1      VAL   9  -8.212  -7.985  -4.517
   71   HG21  VAL   9          3HG2      VAL   9  -4.916  -6.050  -3.514
   72   HG22  VAL   9          1HG2      VAL   9  -6.162  -5.177  -4.406
   73   HG23  VAL   9          2HG2      VAL   9  -5.607  -6.750  -4.977
   74    H    CYS  10           H        CYS  10  -6.319  -3.787  -1.083
   75    HA   CYS  10           HA       CYS  10  -3.563  -4.295  -0.737
   76    HB2  CYS  10           2HB      CYS  10  -5.367  -2.641   1.059
   77    HB3  CYS  10           1HB      CYS  10  -3.647  -2.381   0.762
   78    H    THR  11           H        THR  11  -6.314  -5.180   1.279
   79    HA   THR  11           HA       THR  11  -4.672  -6.057   3.545
   80    HB   THR  11           HB       THR  11  -7.427  -7.037   3.340
   81    HG1  THR  11           1HG      THR  11  -8.255  -5.325   2.495
   82   HG21  THR  11          3HG2      THR  11  -7.028  -4.979   5.289
   83   HG22  THR  11          1HG2      THR  11  -5.602  -6.015   5.269
   84   HG23  THR  11          2HG2      THR  11  -7.196  -6.716   5.548
   85    H    SER  12           H        SER  12  -6.606  -7.649   0.985
   86    HA   SER  12           HA       SER  12  -6.079 -10.346   1.769
   87    HB2  SER  12           2HB      SER  12  -7.545  -9.007  -0.139
   88    HB3  SER  12           1HB      SER  12  -6.294  -9.767  -1.118
   89    HG   SER  12           HG       SER  12  -8.156 -10.967   0.646
   90    H    TRP  13           H        TRP  13  -4.281  -8.064  -0.267
   91    HA   TRP  13           HA       TRP  13  -2.336  -9.951  -1.252
   92    HB2  TRP  13           2HB      TRP  13  -2.671  -6.982  -1.023
   93    HB3  TRP  13           1HB      TRP  13  -1.066  -7.601  -1.412
   94    HD1  TRP  13           HD       TRP  13  -2.812 -10.168  -2.948
   95    HE1  TRP  13           1HE      TRP  13  -3.438  -9.708  -5.397
   96    HE3  TRP  13           3HE      TRP  13  -2.272  -5.075  -3.075
   97    HZ2  TRP  13           2HZ      TRP  13  -3.684  -7.496  -7.176
   98    HZ3  TRP  13           3HZ      TRP  13  -2.722  -3.828  -5.164
   99    HH2  TRP  13           HH       TRP  13  -3.422  -5.031  -7.213
  100    H    ALA  14           H        ALA  14  -2.010  -7.427   1.277
  101    HA   ALA  14           HA       ALA  14   0.498  -8.351   2.284
  102    HB1  ALA  14           1HB      ALA  14   0.161  -6.655   3.828
  103    HB2  ALA  14           2HB      ALA  14  -1.531  -7.086   4.078
  104    HB3  ALA  14           3HB      ALA  14  -1.054  -6.192   2.635
  105    H    ARG  15           H        ARG  15  -2.675  -9.647   2.578
  106    HA   ARG  15           HA       ARG  15  -2.537 -10.909   5.146
  107    HB2  ARG  15           2HB      ARG  15  -4.204 -10.795   2.809
  108    HB3  ARG  15           1HB      ARG  15  -4.021 -12.482   3.288
  109    HG2  ARG  15           2HG      ARG  15  -4.394 -11.181   5.708
  110    HG3  ARG  15           1HG      ARG  15  -5.480 -10.320   4.617
  111    HD2  ARG  15           2HD      ARG  15  -5.535 -13.255   4.286
  112    HD3  ARG  15           1HD      ARG  15  -6.132 -12.678   5.855
  113    HE   ARG  15           HE       ARG  15  -7.316 -10.927   4.118
  114   HH11  ARG  15          1HH2      ARG  15  -7.024 -14.369   4.208
  115   HH12  ARG  15          2HH2      ARG  15  -8.528 -14.644   3.395
  116   HH21  ARG  15          1HH1      ARG  15  -9.278 -11.276   3.064
  117   HH22  ARG  15          2HH1      ARG  15  -9.803 -12.896   2.749
  118    H    LYS  16           H        LYS  16  -0.834 -11.562   2.223
  119    HA   LYS  16           HA       LYS  16  -0.046 -14.263   3.279
  120    HB2  LYS  16           2HB      LYS  16   0.020 -15.010   0.985
  121    HB3  LYS  16           1HB      LYS  16  -1.511 -14.163   1.203
  122    HG2  LYS  16           2HG      LYS  16   0.296 -12.150   0.498
  123    HG3  LYS  16           1HG      LYS  16   0.719 -13.505  -0.550
  124    HD2  LYS  16           2HD      LYS  16  -2.172 -12.785  -0.187
  125    HD3  LYS  16           1HD      LYS  16  -1.177 -11.825  -1.283
  126    HE2  LYS  16           2HE      LYS  16  -0.445 -14.307  -2.085
  127    HE3  LYS  16           1HE      LYS  16  -2.109 -14.633  -1.561
  128    HZ1  LYS  16           3HZ      LYS  16  -1.608 -12.182  -3.075
  129    HZ2  LYS  16           1HZ      LYS  16  -2.976 -13.185  -3.067
  130    HZ3  LYS  16           2HZ      LYS  16  -1.592 -13.646  -3.937
  131    H    GLY  17           H        GLY  17   0.988 -11.133   2.387
  132    HA2  GLY  17           2HA      GLY  17   3.321 -10.538   3.021
  133    HA3  GLY  17           1HA      GLY  17   3.826 -12.084   2.327
  134    H    PHE  18           H        PHE  18   1.366 -10.358   0.636
  135    HA   PHE  18           HA       PHE  18   2.845 -10.205  -1.806
  136    HB2  PHE  18           2HB      PHE  18   0.279 -10.061  -1.097
  137    HB3  PHE  18           1HB      PHE  18   0.605  -8.330  -1.153
  138    HD1  PHE  18           2HD      PHE  18   1.818 -11.210  -3.239
  139    HD2  PHE  18           1HD      PHE  18  -0.246  -7.445  -3.126
  140    HE1  PHE  18           2HE      PHE  18   1.605 -11.250  -5.711
  141    HE2  PHE  18           1HE      PHE  18  -0.458  -7.484  -5.596
  142    HZ   PHE  18           HZ       PHE  18   0.465  -9.387  -6.889
  143    H    CYS  19           H        CYS  19   2.676  -8.074   0.960
  144    HA   CYS  19           HA       CYS  19   3.513  -5.631  -0.322
  145    HB2  CYS  19           2HB      CYS  19   3.666  -6.721   2.503
  146    HB3  CYS  19           1HB      CYS  19   4.090  -5.061   2.086
  147    H    ASP  20           H        ASP  20   5.175  -8.528   0.079
  148    HA   ASP  20           HA       ASP  20   7.824  -7.115  -0.000
  149    HB2  ASP  20           2HB      ASP  20   6.735  -9.198   1.707
  150    HB3  ASP  20           1HB      ASP  20   8.174  -9.778   0.860
  151    H    VAL  21           H        VAL  21   6.632 -10.424  -0.632
  152    HA   VAL  21           HA       VAL  21   8.349 -11.182  -2.665
  153    HB   VAL  21           HB       VAL  21   6.255 -12.478  -3.495
  154   HG11  VAL  21          1HG1      VAL  21   8.020 -13.170  -1.744
  155   HG12  VAL  21          2HG1      VAL  21   6.473 -14.015  -1.712
  156   HG13  VAL  21          3HG1      VAL  21   6.804 -12.741  -0.539
  157   HG21  VAL  21          3HG2      VAL  21   4.271 -11.663  -2.786
  158   HG22  VAL  21          1HG2      VAL  21   5.053 -10.555  -1.660
  159   HG23  VAL  21          2HG2      VAL  21   4.710 -12.212  -1.168
  160    H    ARG  22           H        ARG  22   5.150  -9.657  -3.294
  161    HA   ARG  22           HA       ARG  22   6.115  -8.903  -6.009
  162    HB2  ARG  22           2HB      ARG  22   3.643  -9.760  -4.777
  163    HB3  ARG  22           1HB      ARG  22   3.398  -8.226  -5.613
  164    HG2  ARG  22           2HG      ARG  22   3.015  -9.925  -7.252
  165    HG3  ARG  22           1HG      ARG  22   4.610  -9.262  -7.605
  166    HD2  ARG  22           2HD      ARG  22   5.094 -11.320  -5.747
  167    HD3  ARG  22           1HD      ARG  22   3.902 -11.985  -6.883
  168    HE   ARG  22           HE       ARG  22   5.874 -10.528  -8.358
  169   HH11  ARG  22          1HH2      ARG  22   5.424 -13.406  -6.500
  170   HH12  ARG  22          2HH2      ARG  22   6.655 -14.291  -7.336
  171   HH21  ARG  22          1HH1      ARG  22   7.480 -11.673  -9.453
  172   HH22  ARG  22          2HH1      ARG  22   7.817 -13.312  -9.007
  173    H    GLN  23           H        GLN  23   6.148  -7.563  -3.009
  174    HA   GLN  23           HA       GLN  23   5.041  -5.116  -2.795
  175    HB2  GLN  23           2HB      GLN  23   6.949  -4.508  -1.529
  176    HB3  GLN  23           1HB      GLN  23   6.952  -6.272  -1.498
  177    HG2  GLN  23           2HG      GLN  23   9.145  -5.925  -2.106
  178    HG3  GLN  23           1HG      GLN  23   8.416  -5.924  -3.711
  179   HE21  GLN  23          1HE2      GLN  23  10.850  -4.424  -2.748
  180   HE22  GLN  23          2HE2      GLN  23  10.520  -2.788  -3.061
  181    H    ARG  24           H        ARG  24   7.456  -5.899  -5.281
  182    HA   ARG  24           HA       ARG  24   8.189  -3.316  -6.139
  183    HB2  ARG  24           2HB      ARG  24   7.924  -6.041  -7.295
  184    HB3  ARG  24           1HB      ARG  24   8.014  -4.721  -8.463
  185    HG2  ARG  24           2HG      ARG  24   9.957  -4.800  -6.172
  186    HG3  ARG  24           1HG      ARG  24  10.236  -5.823  -7.583
  187    HD2  ARG  24           2HD      ARG  24   9.888  -2.800  -7.605
  188    HD3  ARG  24           1HD      ARG  24  11.387  -3.691  -7.934
  189    HE   ARG  24           HE       ARG  24   9.117  -3.432  -9.764
  190   HH11  ARG  24          1HH2      ARG  24  11.842  -5.302  -8.758
  191   HH12  ARG  24          2HH2      ARG  24  12.027  -6.091 -10.287
  192   HH21  ARG  24          1HH1      ARG  24   9.344  -4.461 -11.758
  193   HH22  ARG  24          2HH1      ARG  24  10.614  -5.616 -11.985
  194    H    LEU  25           H        LEU  25   5.129  -4.961  -6.409
  195    HA   LEU  25           HA       LEU  25   4.109  -2.984  -8.388
  196    HB2  LEU  25           2HB      LEU  25   3.597  -5.215  -8.958
  197    HB3  LEU  25           1HB      LEU  25   3.258  -5.657  -7.285
  198    HG   LEU  25           HG       LEU  25   1.521  -3.507  -8.179
  199   HD11  LEU  25          1HD1      LEU  25   1.191  -4.226 -10.308
  200   HD12  LEU  25          2HD1      LEU  25   0.290  -5.548  -9.563
  201   HD13  LEU  25          3HD1      LEU  25   1.985  -5.770 -10.002
  202   HD21  LEU  25          3HD2      LEU  25   0.265  -4.559  -6.630
  203   HD22  LEU  25          1HD2      LEU  25   1.517  -5.793  -6.486
  204   HD23  LEU  25          2HD2      LEU  25   0.197  -6.004  -7.637
  205    H    MET  26           H        MET  26   2.823  -4.513  -5.412
  206    HA   MET  26           HA       MET  26   0.735  -2.895  -4.724
  207    HB2  MET  26           2HB      MET  26   2.916  -4.269  -3.230
  208    HB3  MET  26           1HB      MET  26   1.887  -3.175  -2.305
  209    HG2  MET  26           2HG      MET  26  -0.116  -4.364  -3.129
  210    HG3  MET  26           1HG      MET  26   0.918  -5.468  -4.038
  211    HE1  MET  26           3HE      MET  26  -0.456  -4.312  -0.664
  212    HE2  MET  26           1HE      MET  26  -0.565  -5.910   0.088
  213    HE3  MET  26           2HE      MET  26  -1.321  -5.615  -1.475
  214    H    LYS  27           H        LYS  27   4.154  -2.063  -4.067
  215    HA   LYS  27           HA       LYS  27   4.025   0.252  -2.626
  216    HB2  LYS  27           2HB      LYS  27   5.665  -0.748  -4.887
  217    HB3  LYS  27           1HB      LYS  27   5.839   0.966  -4.510
  218    HG2  LYS  27           2HG      LYS  27   5.816  -0.403  -2.031
  219    HG3  LYS  27           1HG      LYS  27   6.903  -1.300  -3.091
  220    HD2  LYS  27           2HD      LYS  27   7.025   1.657  -2.443
  221    HD3  LYS  27           1HD      LYS  27   8.194   0.420  -1.975
  222    HE2  LYS  27           2HE      LYS  27   7.618   1.455  -4.770
  223    HE3  LYS  27           1HE      LYS  27   9.157   1.492  -3.887
  224    HZ1  LYS  27           3HZ      LYS  27   7.727  -0.848  -4.987
  225    HZ2  LYS  27           1HZ      LYS  27   8.857  -1.024  -3.734
  226    HZ3  LYS  27           2HZ      LYS  27   9.342  -0.385  -5.230
  227    H    ARG  28           H        ARG  28   3.075  -0.037  -6.040
  228    HA   ARG  28           HA       ARG  28   2.495   2.877  -6.159
  229    HB2  ARG  28           2HB      ARG  28   2.512   0.613  -8.170
  230    HB3  ARG  28           1HB      ARG  28   2.118   2.280  -8.578
  231    HG2  ARG  28           2HG      ARG  28   4.337   2.992  -7.712
  232    HG3  ARG  28           1HG      ARG  28   4.732   1.303  -7.393
  233    HD2  ARG  28           2HD      ARG  28   5.690   1.885  -9.550
  234    HD3  ARG  28           1HD      ARG  28   4.283   0.848  -9.863
  235    HE   ARG  28           HE       ARG  28   3.161   3.347  -9.838
  236   HH11  ARG  28          1HH2      ARG  28   5.926   1.979 -11.397
  237   HH12  ARG  28          2HH2      ARG  28   5.826   3.025 -12.773
  238   HH21  ARG  28          1HH1      ARG  28   3.023   4.716 -11.630
  239   HH22  ARG  28          2HH1      ARG  28   4.188   4.573 -12.905
  240    H    LEU  29           H        LEU  29   0.796  -0.029  -5.472
  241    HA   LEU  29           HA       LEU  29  -1.782   1.269  -6.301
  242    HB2  LEU  29           2HB      LEU  29  -1.382  -1.668  -5.769
  243    HB3  LEU  29           1HB      LEU  29  -2.613  -0.888  -6.764
  244    HG   LEU  29           HG       LEU  29   0.344  -0.845  -7.423
  245   HD11  LEU  29          1HD1      LEU  29  -0.004  -2.695  -8.862
  246   HD12  LEU  29          2HD1      LEU  29  -1.760  -2.555  -8.754
  247   HD13  LEU  29          3HD1      LEU  29  -0.836  -3.150  -7.371
  248   HD21  LEU  29          3HD2      LEU  29  -1.808  -0.535  -9.455
  249   HD22  LEU  29          1HD2      LEU  29  -0.260   0.300  -9.323
  250   HD23  LEU  29          2HD2      LEU  29  -1.621   0.798  -8.317
  251    H    CYS  30           H        CYS  30  -0.574  -1.096  -3.884
  252    HA   CYS  30           HA       CYS  30  -2.645  -0.044  -1.988
  253    HB2  CYS  30           2HB      CYS  30  -1.462  -2.697  -2.671
  254    HB3  CYS  30           1HB      CYS  30  -2.033  -2.454  -1.018
  255    HA   PRO  31           HA       PRO  31   1.530   0.801  -0.105
  256    HB2  PRO  31           2HB      PRO  31   1.209   3.493   0.235
  257    HB3  PRO  31           1HB      PRO  31   1.870   2.785  -1.255
  258    HG2  PRO  31           2HG      PRO  31  -0.844   3.856  -0.704
  259    HG3  PRO  31           1HG      PRO  31   0.106   3.896  -2.198
  260    HD2  PRO  31           2HD      PRO  31  -1.980   2.153  -1.690
  261    HD3  PRO  31           1HD      PRO  31  -0.703   1.895  -2.902
  262    H    ARG  32           H        ARG  32  -1.785   1.598   0.582
  263    HA   ARG  32           HA       ARG  32  -1.565   2.552   3.267
  264    HB2  ARG  32           2HB      ARG  32  -3.543   2.672   1.748
  265    HB3  ARG  32           1HB      ARG  32  -3.751   0.929   1.923
  266    HG2  ARG  32           2HG      ARG  32  -4.321   1.106   4.207
  267    HG3  ARG  32           1HG      ARG  32  -3.652   2.733   4.340
  268    HD2  ARG  32           2HD      ARG  32  -5.731   3.543   3.931
  269    HD3  ARG  32           1HD      ARG  32  -5.623   2.854   2.302
  270    HE   ARG  32           HE       ARG  32  -6.879   0.972   3.041
  271   HH11  ARG  32          1HH2      ARG  32  -5.836   2.974   5.661
  272   HH12  ARG  32          2HH2      ARG  32  -6.855   2.198   6.824
  273   HH21  ARG  32          1HH1      ARG  32  -8.209  -0.044   4.555
  274   HH22  ARG  32          2HH1      ARG  32  -8.192   0.491   6.202
  275    H    SER  33           H        SER  33  -2.339  -0.746   2.084
  276    HA   SER  33           HA       SER  33  -2.256  -1.977   4.681
  277    HB2  SER  33           2HB      SER  33  -2.090  -2.896   1.813
  278    HB3  SER  33           1HB      SER  33  -1.979  -4.052   3.142
  279    HG   SER  33           HG       SER  33  -4.082  -2.208   2.625
  280    H    CYS  34           H        CYS  34   0.128  -2.043   1.996
  281    HA   CYS  34           HA       CYS  34   2.152  -3.428   3.499
  282    HB2  CYS  34           2HB      CYS  34   2.341  -1.584   1.093
  283    HB3  CYS  34           1HB      CYS  34   3.559  -2.762   1.584
  284    H    ASP  35           H        ASP  35   1.064  -0.168   3.614
  285    HA   ASP  35           HA       ASP  35   1.864   1.665   4.888
  286    HB2  ASP  35           2HB      ASP  35   2.695  -0.733   6.114
  287    HB3  ASP  35           1HB      ASP  35   4.134   0.294   6.079
  288    H    PHE  36           H        PHE  36   2.939   0.992   2.184
  289    HA   PHE  36           HA       PHE  36   5.781   1.407   2.088
  290    HB2  PHE  36           2HB      PHE  36   3.455   1.658   0.190
  291    HB3  PHE  36           1HB      PHE  36   5.086   2.104  -0.327
  292    HD1  PHE  36           1HD      PHE  36   6.806   0.202   1.025
  293    HD2  PHE  36           2HD      PHE  36   2.957  -0.427  -0.777
  294    HE1  PHE  36           1HE      PHE  36   7.358  -2.191   0.680
  295    HE2  PHE  36           2HE      PHE  36   3.511  -2.818  -1.125
  296    HZ   PHE  36           HZ       PHE  36   5.710  -3.698  -0.394
  297    H    CYS  37           H        CYS  37   3.028   3.635   2.168
  298    HA   CYS  37           HA       CYS  37   4.212   6.034   1.326
  299    HB2  CYS  37           2HB      CYS  37   1.845   5.701   1.967
  300    HB3  CYS  37           1HB      CYS  37   2.329   5.526   3.657
  301    HXT  CYS  37           2H       CYS  37   5.574   5.636   5.212
  Start of MODEL   16
    1    H1   TYR   1           H        TYR   1   5.322  13.894  -3.468
    2    HA   TYR   1           HA       TYR   1   5.031  11.464  -2.902
    3    HB2  TYR   1           2HB      TYR   1   5.087  13.667  -0.935
    4    HB3  TYR   1           1HB      TYR   1   4.612  12.106  -0.264
    5    HD1  TYR   1           1HD      TYR   1   6.824  12.521  -3.204
    6    HD2  TYR   1           2HD      TYR   1   6.621  11.681   1.004
    7    HE1  TYR   1           1HE      TYR   1   9.193  11.789  -3.235
    8    HE2  TYR   1           2HE      TYR   1   8.990  10.949   0.972
    9    HH   TYR   1           HH       TYR   1  11.047  11.446  -0.514
   10    H    GLY   2           H        GLY   2   3.078  10.566  -3.746
   11    HA2  GLY   2           2HA      GLY   2   0.732  10.781  -1.902
   12    HA3  GLY   2           1HA      GLY   2   0.528  10.734  -3.654
   13    H    CYS   3           H        CYS   3  -0.171   8.819  -1.311
   14    HA   CYS   3           HA       CYS   3   0.602   6.361  -2.791
   15    HB2  CYS   3           2HB      CYS   3   1.184   6.922   0.135
   16    HB3  CYS   3           1HB      CYS   3   1.412   5.361  -0.650
   17    H    LEU   4           H        LEU   4  -1.624   6.005  -3.241
   18    HA   LEU   4           HA       LEU   4  -3.294   5.363  -0.835
   19    HB2  LEU   4           2HB      LEU   4  -5.190   6.369  -2.019
   20    HB3  LEU   4           1HB      LEU   4  -3.877   7.541  -1.911
   21    HG   LEU   4           HG       LEU   4  -3.753   5.826  -4.301
   22   HD11  LEU   4          1HD1      LEU   4  -5.564   7.388  -5.365
   23   HD12  LEU   4          2HD1      LEU   4  -6.143   7.553  -3.707
   24   HD13  LEU   4          3HD1      LEU   4  -6.085   5.962  -4.467
   25   HD21  LEU   4          3HD2      LEU   4  -3.138   8.558  -3.424
   26   HD22  LEU   4          1HD2      LEU   4  -3.830   8.494  -5.045
   27   HD23  LEU   4          2HD2      LEU   4  -2.367   7.582  -4.674
   28    H    ASP   5           H        ASP   5  -4.643   3.558  -1.076
   29    HA   ASP   5           HA       ASP   5  -3.805   1.601  -3.076
   30    HB2  ASP   5           2HB      ASP   5  -5.387   0.183  -1.820
   31    HB3  ASP   5           1HB      ASP   5  -4.353   1.082  -0.708
   32    H    ARG   6           H        ARG   6  -4.992   0.971  -4.899
   33    HA   ARG   6           HA       ARG   6  -7.383   2.681  -5.508
   34    HB2  ARG   6           2HB      ARG   6  -6.791   1.940  -7.881
   35    HB3  ARG   6           1HB      ARG   6  -5.595   2.956  -7.077
   36    HG2  ARG   6           2HG      ARG   6  -4.177   1.119  -6.620
   37    HG3  ARG   6           1HG      ARG   6  -5.452  -0.055  -6.953
   38    HD2  ARG   6           2HD      ARG   6  -5.244   1.454  -9.317
   39    HD3  ARG   6           1HD      ARG   6  -3.570   1.150  -8.809
   40    HE   ARG   6           HE       ARG   6  -4.866  -1.277  -8.398
   41   HH11  ARG   6          1HH2      ARG   6  -4.425   0.923 -11.024
   42   HH12  ARG   6          2HH2      ARG   6  -4.445  -0.315 -12.233
   43   HH21  ARG   6          1HH1      ARG   6  -4.896  -2.899  -9.964
   44   HH22  ARG   6          2HH1      ARG   6  -4.713  -2.478 -11.634
   45    H    ILE   7           H        ILE   7  -6.717  -0.331  -4.344
   46    HA   ILE   7           HA       ILE   7  -9.308  -1.386  -5.354
   47    HB   ILE   7           HB       ILE   7  -8.191  -3.546  -5.873
   48   HG12  ILE   7          2HG1      ILE   7  -5.690  -1.955  -5.217
   49   HG13  ILE   7          1HG1      ILE   7  -6.282  -3.386  -4.373
   50   HG21  ILE   7          1HG2      ILE   7  -6.933  -1.170  -7.282
   51   HG22  ILE   7          2HG2      ILE   7  -8.529  -1.826  -7.640
   52   HG23  ILE   7          3HG2      ILE   7  -7.088  -2.800  -7.935
   53   HD11  ILE   7          3HD1      ILE   7  -5.881  -3.698  -7.294
   54   HD12  ILE   7          1HD1      ILE   7  -5.523  -4.817  -5.979
   55   HD13  ILE   7          2HD1      ILE   7  -4.416  -3.491  -6.335
   56    H    PHE   8           H        PHE   8 -10.049  -3.221  -4.006
   57    HA   PHE   8           HA       PHE   8  -9.185  -2.886  -1.187
   58    HB2  PHE   8           2HB      PHE   8 -11.292  -4.265  -0.834
   59    HB3  PHE   8           1HB      PHE   8 -11.539  -2.722  -1.658
   60    HD1  PHE   8           2HD      PHE   8 -11.025  -6.371  -2.282
   61    HD2  PHE   8           1HD      PHE   8 -12.487  -2.632  -3.810
   62    HE1  PHE   8           2HE      PHE   8 -12.011  -7.551  -4.228
   63    HE2  PHE   8           1HE      PHE   8 -13.470  -3.810  -5.757
   64    HZ   PHE   8           HZ       PHE   8 -13.234  -6.269  -5.965
   65    H    VAL   9           H        VAL   9  -7.652  -4.448  -3.325
   66    HA   VAL   9           HA       VAL   9  -7.804  -7.202  -2.199
   67    HB   VAL   9           HB       VAL   9  -6.199  -6.092  -4.524
   68   HG11  VAL   9          1HG1      VAL   9  -5.488  -8.299  -3.609
   69   HG12  VAL   9          2HG1      VAL   9  -6.126  -8.427  -5.249
   70   HG13  VAL   9          3HG1      VAL   9  -7.122  -8.909  -3.875
   71   HG21  VAL   9          3HG2      VAL   9  -8.567  -5.660  -4.920
   72   HG22  VAL   9          1HG2      VAL   9  -8.980  -7.308  -4.444
   73   HG23  VAL   9          2HG2      VAL   9  -8.061  -7.021  -5.922
   74    H    CYS  10           H        CYS  10  -6.267  -4.400  -1.394
   75    HA   CYS  10           HA       CYS  10  -3.501  -5.128  -1.189
   76    HB2  CYS  10           2HB      CYS  10  -5.031  -3.406   0.781
   77    HB3  CYS  10           1HB      CYS  10  -3.349  -3.245   0.278
   78    H    THR  11           H        THR  11  -6.238  -5.514   1.068
   79    HA   THR  11           HA       THR  11  -4.782  -6.674   3.236
   80    HB   THR  11           HB       THR  11  -7.569  -7.544   2.630
   81    HG1  THR  11           1HG      THR  11  -8.226  -5.354   3.217
   82   HG21  THR  11          3HG2      THR  11  -6.185  -7.714   4.844
   83   HG22  THR  11          1HG2      THR  11  -7.879  -7.231   4.924
   84   HG23  THR  11          2HG2      THR  11  -6.609  -6.012   5.028
   85    H    SER  12           H        SER  12  -6.891  -8.376   0.878
   86    HA   SER  12           HA       SER  12  -6.211 -11.017   1.490
   87    HB2  SER  12           2HB      SER  12  -7.028  -9.503  -0.959
   88    HB3  SER  12           1HB      SER  12  -6.530 -11.180  -1.163
   89    HG   SER  12           HG       SER  12  -8.045 -11.562   0.674
   90    H    TRP  13           H        TRP  13  -4.312  -8.597  -0.186
   91    HA   TRP  13           HA       TRP  13  -2.317 -10.505  -1.195
   92    HB2  TRP  13           2HB      TRP  13  -2.719  -7.519  -1.105
   93    HB3  TRP  13           1HB      TRP  13  -1.175  -8.194  -1.628
   94    HD1  TRP  13           HD       TRP  13  -3.131 -10.784  -2.840
   95    HE1  TRP  13           1HE      TRP  13  -3.994 -10.410  -5.241
   96    HE3  TRP  13           3HE      TRP  13  -2.472  -5.745  -3.230
   97    HZ2  TRP  13           2HZ      TRP  13  -4.356  -8.248  -7.085
   98    HZ3  TRP  13           3HZ      TRP  13  -3.091  -4.544  -5.313
   99    HH2  TRP  13           HH       TRP  13  -4.031  -5.789  -7.237
  100    H    ALA  14           H        ALA  14  -2.187  -7.759   1.114
  101    HA   ALA  14           HA       ALA  14   0.354  -8.154   2.186
  102    HB1  ALA  14           1HB      ALA  14  -1.750  -7.558   4.163
  103    HB2  ALA  14           2HB      ALA  14  -1.873  -6.606   2.684
  104    HB3  ALA  14           3HB      ALA  14  -0.391  -6.563   3.640
  105    H    ARG  15           H        ARG  15  -2.568 -10.028   2.761
  106    HA   ARG  15           HA       ARG  15  -1.645 -11.435   5.112
  107    HB2  ARG  15           2HB      ARG  15  -3.938 -11.235   3.425
  108    HB3  ARG  15           1HB      ARG  15  -3.510 -12.944   3.531
  109    HG2  ARG  15           2HG      ARG  15  -3.256 -12.418   6.102
  110    HG3  ARG  15           1HG      ARG  15  -4.308 -11.054   5.723
  111    HD2  ARG  15           2HD      ARG  15  -5.394 -13.356   4.422
  112    HD3  ARG  15           1HD      ARG  15  -5.064 -13.787   6.112
  113    HE   ARG  15           HE       ARG  15  -6.181 -11.292   6.351
  114   HH11  ARG  15          1HH2      ARG  15  -7.066 -14.167   4.650
  115   HH12  ARG  15          2HH2      ARG  15  -8.767 -13.877   4.787
  116   HH21  ARG  15          1HH1      ARG  15  -8.398 -10.907   6.534
  117   HH22  ARG  15          2HH1      ARG  15  -9.521 -12.036   5.851
  118    H    LYS  16           H        LYS  16  -0.542 -11.524   1.939
  119    HA   LYS  16           HA       LYS  16   0.370 -14.372   2.215
  120    HB2  LYS  16           2HB      LYS  16  -1.072 -14.158   0.328
  121    HB3  LYS  16           1HB      LYS  16  -0.346 -12.622  -0.146
  122    HG2  LYS  16           2HG      LYS  16   0.482 -14.371  -1.624
  123    HG3  LYS  16           1HG      LYS  16   1.801 -13.825  -0.589
  124    HD2  LYS  16           2HD      LYS  16   0.805 -15.800   0.965
  125    HD3  LYS  16           1HD      LYS  16   0.378 -16.435  -0.626
  126    HE2  LYS  16           2HE      LYS  16   3.165 -15.396  -0.083
  127    HE3  LYS  16           1HE      LYS  16   2.717 -17.068   0.306
  128    HZ1  LYS  16           3HZ      LYS  16   1.961 -15.944  -2.303
  129    HZ2  LYS  16           1HZ      LYS  16   2.259 -17.558  -1.876
  130    HZ3  LYS  16           2HZ      LYS  16   3.557 -16.479  -2.072
  131    H    GLY  17           H        GLY  17   1.373 -11.129   2.251
  132    HA2  GLY  17           2HA      GLY  17   3.734 -10.696   2.865
  133    HA3  GLY  17           1HA      GLY  17   4.194 -11.982   1.744
  134    H    PHE  18           H        PHE  18   1.751 -10.461   0.206
  135    HA   PHE  18           HA       PHE  18   3.087  -9.410  -1.955
  136    HB2  PHE  18           2HB      PHE  18   0.528  -9.396  -0.882
  137    HB3  PHE  18           1HB      PHE  18   0.917  -7.686  -1.011
  138    HD1  PHE  18           2HD      PHE  18   2.544  -7.445  -3.381
  139    HD2  PHE  18           1HD      PHE  18  -0.826 -10.007  -2.671
  140    HE1  PHE  18           2HE      PHE  18   2.080  -7.513  -5.819
  141    HE2  PHE  18           1HE      PHE  18  -1.288 -10.079  -5.105
  142    HZ   PHE  18           HZ       PHE  18   0.161  -8.829  -6.679
  143    H    CYS  19           H        CYS  19   2.815  -7.919   1.244
  144    HA   CYS  19           HA       CYS  19   3.605  -5.266   0.536
  145    HB2  CYS  19           2HB      CYS  19   4.004  -6.868   3.078
  146    HB3  CYS  19           1HB      CYS  19   4.131  -5.113   2.957
  147    H    ASP  20           H        ASP  20   5.409  -8.164   0.495
  148    HA   ASP  20           HA       ASP  20   7.955  -6.581   0.377
  149    HB2  ASP  20           2HB      ASP  20   7.238  -9.157   1.783
  150    HB3  ASP  20           1HB      ASP  20   8.915  -8.773   1.384
  151    H    VAL  21           H        VAL  21   6.782  -9.901  -0.246
  152    HA   VAL  21           HA       VAL  21   8.507 -10.745  -2.220
  153    HB   VAL  21           HB       VAL  21   5.598 -11.094  -1.615
  154   HG11  VAL  21          1HG1      VAL  21   6.894 -11.781  -4.215
  155   HG12  VAL  21          2HG1      VAL  21   5.212 -11.373  -3.869
  156   HG13  VAL  21          3HG1      VAL  21   5.823 -12.986  -3.498
  157   HG21  VAL  21          3HG2      VAL  21   8.107 -12.421  -1.125
  158   HG22  VAL  21          1HG2      VAL  21   7.009 -13.529  -1.948
  159   HG23  VAL  21          2HG2      VAL  21   6.522 -12.768  -0.433
  160    H    ARG  22           H        ARG  22   5.349  -9.312  -3.123
  161    HA   ARG  22           HA       ARG  22   6.562  -8.420  -5.693
  162    HB2  ARG  22           2HB      ARG  22   3.918  -9.260  -4.667
  163    HB3  ARG  22           1HB      ARG  22   3.879  -7.961  -5.860
  164    HG2  ARG  22           2HG      ARG  22   5.706  -9.668  -6.980
  165    HG3  ARG  22           1HG      ARG  22   4.599 -10.798  -6.200
  166    HD2  ARG  22           2HD      ARG  22   3.178  -8.635  -7.573
  167    HD3  ARG  22           1HD      ARG  22   4.174  -9.609  -8.673
  168    HE   ARG  22           HE       ARG  22   1.804 -10.545  -7.314
  169   HH11  ARG  22          1HH2      ARG  22   5.009 -11.405  -8.272
  170   HH12  ARG  22          2HH2      ARG  22   4.656 -13.096  -8.394
  171   HH21  ARG  22          1HH1      ARG  22   1.332 -12.749  -7.471
  172   HH22  ARG  22          2HH1      ARG  22   2.578 -13.857  -7.940
  173    H    GLN  23           H        GLN  23   6.087  -7.105  -2.698
  174    HA   GLN  23           HA       GLN  23   4.805  -4.793  -2.497
  175    HB2  GLN  23           2HB      GLN  23   6.646  -5.493  -1.038
  176    HB3  GLN  23           1HB      GLN  23   7.818  -5.056  -2.284
  177    HG2  GLN  23           2HG      GLN  23   6.104  -2.808  -1.873
  178    HG3  GLN  23           1HG      GLN  23   6.655  -3.367  -0.292
  179   HE21  GLN  23          1HE2      GLN  23   7.693  -1.899  -3.316
  180   HE22  GLN  23          2HE2      GLN  23   9.305  -1.638  -2.854
  181    H    ARG  24           H        ARG  24   7.558  -5.073  -4.769
  182    HA   ARG  24           HA       ARG  24   7.680  -2.395  -5.661
  183    HB2  ARG  24           2HB      ARG  24   8.327  -5.108  -6.725
  184    HB3  ARG  24           1HB      ARG  24   8.368  -3.761  -7.863
  185    HG2  ARG  24           2HG      ARG  24  10.069  -2.650  -6.685
  186    HG3  ARG  24           1HG      ARG  24   9.755  -3.547  -5.198
  187    HD2  ARG  24           2HD      ARG  24  10.962  -4.668  -7.751
  188    HD3  ARG  24           1HD      ARG  24  11.795  -4.438  -6.201
  189    HE   ARG  24           HE       ARG  24   9.681  -5.957  -5.428
  190   HH11  ARG  24          1HH2      ARG  24  11.891  -6.210  -8.075
  191   HH12  ARG  24          2HH2      ARG  24  11.762  -7.932  -8.181
  192   HH21  ARG  24          1HH1      ARG  24   9.511  -8.199  -5.559
  193   HH22  ARG  24          2HH1      ARG  24  10.413  -9.057  -6.763
  194    H    LEU  25           H        LEU  25   5.137  -4.676  -6.136
  195    HA   LEU  25           HA       LEU  25   4.123  -3.272  -8.557
  196    HB2  LEU  25           2HB      LEU  25   4.248  -5.709  -8.589
  197    HB3  LEU  25           1HB      LEU  25   3.320  -5.804  -7.092
  198    HG   LEU  25           HG       LEU  25   1.941  -4.204  -9.094
  199   HD11  LEU  25          1HD1      LEU  25   3.331  -6.461 -10.111
  200   HD12  LEU  25          2HD1      LEU  25   2.106  -5.494 -10.932
  201   HD13  LEU  25          3HD1      LEU  25   1.630  -6.917 -10.004
  202   HD21  LEU  25          3HD2      LEU  25   0.563  -6.603  -8.441
  203   HD22  LEU  25          1HD2      LEU  25   0.296  -4.993  -7.772
  204   HD23  LEU  25          2HD2      LEU  25   1.426  -6.097  -6.988
  205    H    MET  26           H        MET  26   2.909  -4.344  -5.357
  206    HA   MET  26           HA       MET  26   0.544  -2.609  -5.602
  207    HB2  MET  26           2HB      MET  26   0.133  -3.590  -3.288
  208    HB3  MET  26           1HB      MET  26   0.299  -4.775  -4.583
  209    HG2  MET  26           2HG      MET  26   2.182  -5.645  -3.684
  210    HG3  MET  26           1HG      MET  26   2.866  -4.052  -3.370
  211    HE1  MET  26           3HE      MET  26   0.075  -6.428  -2.499
  212    HE2  MET  26           1HE      MET  26  -0.765  -4.945  -2.021
  213    HE3  MET  26           2HE      MET  26  -0.312  -6.137  -0.806
  214    H    LYS  27           H        LYS  27   3.412  -1.494  -5.357
  215    HA   LYS  27           HA       LYS  27   3.579  -0.213  -2.757
  216    HB2  LYS  27           2HB      LYS  27   5.183  -0.668  -4.994
  217    HB3  LYS  27           1HB      LYS  27   4.962   1.081  -4.978
  218    HG2  LYS  27           2HG      LYS  27   5.478   0.821  -2.403
  219    HG3  LYS  27           1HG      LYS  27   6.245  -0.681  -2.919
  220    HD2  LYS  27           2HD      LYS  27   8.060   0.569  -3.418
  221    HD3  LYS  27           1HD      LYS  27   7.132   1.180  -4.787
  222    HE2  LYS  27           2HE      LYS  27   6.345   3.077  -3.503
  223    HE3  LYS  27           1HE      LYS  27   7.052   2.418  -2.014
  224    HZ1  LYS  27           3HZ      LYS  27   8.888   3.526  -2.599
  225    HZ2  LYS  27           1HZ      LYS  27   8.340   3.803  -4.179
  226    HZ3  LYS  27           2HZ      LYS  27   9.108   2.337  -3.793
  227    H    ARG  28           H        ARG  28   2.331   0.733  -5.943
  228    HA   ARG  28           HA       ARG  28   1.612   3.423  -4.890
  229    HB2  ARG  28           2HB      ARG  28   1.413   2.259  -7.679
  230    HB3  ARG  28           1HB      ARG  28   1.365   3.962  -7.238
  231    HG2  ARG  28           2HG      ARG  28   3.647   4.053  -6.788
  232    HG3  ARG  28           1HG      ARG  28   3.750   2.327  -6.441
  233    HD2  ARG  28           2HD      ARG  28   3.753   1.737  -8.727
  234    HD3  ARG  28           1HD      ARG  28   3.063   3.294  -9.221
  235    HE   ARG  28           HE       ARG  28   5.607   3.614  -7.854
  236   HH11  ARG  28          1HH2      ARG  28   4.038   2.868 -10.842
  237   HH12  ARG  28          2HH2      ARG  28   5.373   3.380 -11.819
  238   HH21  ARG  28          1HH1      ARG  28   7.355   4.282  -9.123
  239   HH22  ARG  28          2HH1      ARG  28   7.246   4.177 -10.849
  240    H    LEU  29           H        LEU  29   0.105   0.375  -5.744
  241    HA   LEU  29           HA       LEU  29  -2.573   1.715  -5.806
  242    HB2  LEU  29           2HB      LEU  29  -3.233  -0.510  -6.830
  243    HB3  LEU  29           1HB      LEU  29  -2.054   0.419  -7.761
  244    HG   LEU  29           HG       LEU  29  -0.735  -1.280  -5.813
  245   HD11  LEU  29          1HD1      LEU  29  -1.549  -3.209  -7.694
  246   HD12  LEU  29          2HD1      LEU  29  -3.033  -2.409  -7.172
  247   HD13  LEU  29          3HD1      LEU  29  -1.968  -3.159  -5.981
  248   HD21  LEU  29          3HD2      LEU  29  -0.643  -0.621  -8.714
  249   HD22  LEU  29          1HD2      LEU  29   0.057  -2.167  -8.237
  250   HD23  LEU  29          2HD2      LEU  29   0.665  -0.670  -7.531
  251    H    CYS  30           H        CYS  30  -0.712   0.315  -3.474
  252    HA   CYS  30           HA       CYS  30  -3.080  -0.401  -1.872
  253    HB2  CYS  30           2HB      CYS  30  -1.323  -2.317  -3.269
  254    HB3  CYS  30           1HB      CYS  30  -1.647  -2.718  -1.579
  255    HA   PRO  31           HA       PRO  31   0.959   0.833   0.286
  256    HB2  PRO  31           2HB      PRO  31   0.456   3.477   0.735
  257    HB3  PRO  31           1HB      PRO  31   1.279   2.884  -0.724
  258    HG2  PRO  31           2HG      PRO  31  -1.534   3.766  -0.360
  259    HG3  PRO  31           1HG      PRO  31  -0.455   3.961  -1.753
  260    HD2  PRO  31           2HD      PRO  31  -2.460   2.078  -1.571
  261    HD3  PRO  31           1HD      PRO  31  -1.044   1.955  -2.640
  262    H    ARG  32           H        ARG  32  -2.423   1.716   0.849
  263    HA   ARG  32           HA       ARG  32  -2.257   2.373   3.612
  264    HB2  ARG  32           2HB      ARG  32  -4.163   2.527   1.835
  265    HB3  ARG  32           1HB      ARG  32  -4.565   0.894   2.366
  266    HG2  ARG  32           2HG      ARG  32  -5.876   2.411   3.702
  267    HG3  ARG  32           1HG      ARG  32  -4.597   1.780   4.740
  268    HD2  ARG  32           2HD      ARG  32  -4.436   4.074   5.184
  269    HD3  ARG  32           1HD      ARG  32  -3.281   3.920   3.844
  270    HE   ARG  32           HE       ARG  32  -4.794   5.134   2.505
  271   HH11  ARG  32          1HH2      ARG  32  -6.377   3.675   5.207
  272   HH12  ARG  32          2HH2      ARG  32  -7.918   4.378   4.847
  273   HH21  ARG  32          1HH1      ARG  32  -6.799   6.047   2.022
  274   HH22  ARG  32          2HH1      ARG  32  -8.158   5.714   3.044
  275    H    SER  33           H        SER  33  -2.407  -0.782   2.001
  276    HA   SER  33           HA       SER  33  -2.881  -2.247   4.489
  277    HB2  SER  33           2HB      SER  33  -3.543  -2.853   2.087
  278    HB3  SER  33           1HB      SER  33  -1.852  -3.292   1.840
  279    HG   SER  33           HG       SER  33  -3.515  -4.301   3.915
  280    H    CYS  34           H        CYS  34  -0.073  -1.929   2.272
  281    HA   CYS  34           HA       CYS  34   1.678  -3.214   4.286
  282    HB2  CYS  34           2HB      CYS  34   2.249  -2.078   1.533
  283    HB3  CYS  34           1HB      CYS  34   3.280  -3.183   2.443
  284    H    ASP  35           H        ASP  35   0.476  -0.205   4.075
  285    HA   ASP  35           HA       ASP  35   1.242   1.936   4.733
  286    HB2  ASP  35           2HB      ASP  35   1.768   0.130   6.615
  287    HB3  ASP  35           1HB      ASP  35   3.440   0.514   6.196
  288    H    PHE  36           H        PHE  36   2.219   1.262   2.206
  289    HA   PHE  36           HA       PHE  36   5.087   1.365   1.970
  290    HB2  PHE  36           2HB      PHE  36   2.769   2.028   0.136
  291    HB3  PHE  36           1HB      PHE  36   4.451   2.044  -0.404
  292    HD1  PHE  36           2HD      PHE  36   5.483  -0.273   1.270
  293    HD2  PHE  36           1HD      PHE  36   1.924   0.168  -1.098
  294    HE1  PHE  36           2HE      PHE  36   5.397  -2.725   0.935
  295    HE2  PHE  36           1HE      PHE  36   1.842  -2.288  -1.418
  296    HZ   PHE  36           HZ       PHE  36   3.577  -3.726  -0.415
  297    H    CYS  37           H        CYS  37   2.828   3.730   2.913
  298    HA   CYS  37           HA       CYS  37   4.901   5.850   2.636
  299    HB2  CYS  37           2HB      CYS  37   2.328   5.602   1.197
  300    HB3  CYS  37           1HB      CYS  37   2.627   7.190   1.911
  301    HXT  CYS  37           2H       CYS  37   2.667   5.487   5.844
  Start of MODEL   17
    1    H1   TYR   1           H        TYR   1  -0.493  12.528  -7.129
    2    HA   TYR   1           HA       TYR   1   1.983  12.123  -6.342
    3    HB2  TYR   1           2HB      TYR   1   2.527  14.308  -4.921
    4    HB3  TYR   1           1HB      TYR   1   2.888  14.243  -6.643
    5    HD1  TYR   1           2HD      TYR   1   0.521  15.520  -4.097
    6    HD2  TYR   1           1HD      TYR   1   1.639  15.550  -8.244
    7    HE1  TYR   1           2HE      TYR   1  -0.987  17.449  -4.490
    8    HE2  TYR   1           1HE      TYR   1   0.134  17.481  -8.638
    9    HH   TYR   1           HH       TYR   1  -0.900  19.296  -7.362
   10    H    GLY   2           H        GLY   2   1.852  10.957  -4.468
   11    HA2  GLY   2           2HA      GLY   2   1.211  11.348  -1.959
   12    HA3  GLY   2           1HA      GLY   2  -0.414  11.543  -2.622
   13    H    CYS   3           H        CYS   3   1.201   9.369  -0.964
   14    HA   CYS   3           HA       CYS   3   0.856   6.956  -2.589
   15    HB2  CYS   3           2HB      CYS   3   1.635   5.872  -0.524
   16    HB3  CYS   3           1HB      CYS   3   2.625   7.289  -0.871
   17    H    LEU   4           H        LEU   4  -0.951   5.669  -2.646
   18    HA   LEU   4           HA       LEU   4  -2.849   5.473  -0.455
   19    HB2  LEU   4           2HB      LEU   4  -4.607   6.792  -1.319
   20    HB3  LEU   4           1HB      LEU   4  -3.180   7.775  -1.634
   21    HG   LEU   4           HG       LEU   4  -3.298   6.175  -3.880
   22   HD11  LEU   4          1HD1      LEU   4  -5.387   5.383  -4.148
   23   HD12  LEU   4          2HD1      LEU   4  -5.980   7.043  -4.181
   24   HD13  LEU   4          3HD1      LEU   4  -5.907   6.162  -2.654
   25   HD21  LEU   4          3HD2      LEU   4  -3.601   8.184  -5.001
   26   HD22  LEU   4          1HD2      LEU   4  -3.105   8.785  -3.420
   27   HD23  LEU   4          2HD2      LEU   4  -4.813   8.761  -3.856
   28    H    ASP   5           H        ASP   5  -4.396   3.809  -0.857
   29    HA   ASP   5           HA       ASP   5  -3.593   1.806  -2.781
   30    HB2  ASP   5           2HB      ASP   5  -5.371   0.560  -1.747
   31    HB3  ASP   5           1HB      ASP   5  -4.634   1.540  -0.478
   32    H    ARG   6           H        ARG   6  -4.453   1.373  -4.797
   33    HA   ARG   6           HA       ARG   6  -6.418   3.323  -5.889
   34    HB2  ARG   6           2HB      ARG   6  -4.514   1.275  -7.055
   35    HB3  ARG   6           1HB      ARG   6  -5.653   2.188  -8.045
   36    HG2  ARG   6           2HG      ARG   6  -4.606   4.254  -6.744
   37    HG3  ARG   6           1HG      ARG   6  -3.240   3.153  -6.560
   38    HD2  ARG   6           2HD      ARG   6  -2.684   4.084  -8.612
   39    HD3  ARG   6           1HD      ARG   6  -3.731   2.770  -9.187
   40    HE   ARG   6           HE       ARG   6  -5.486   4.848  -8.587
   41   HH11  ARG   6          1HH2      ARG   6  -2.701   4.385 -10.575
   42   HH12  ARG   6          2HH2      ARG   6  -3.198   5.541 -11.766
   43   HH21  ARG   6          1HH1      ARG   6  -6.144   6.362 -10.127
   44   HH22  ARG   6          2HH1      ARG   6  -5.147   6.662 -11.511
   45    H    ILE   7           H        ILE   7  -6.363   0.198  -4.568
   46    HA   ILE   7           HA       ILE   7  -9.043  -0.364  -5.760
   47    HB   ILE   7           HB       ILE   7  -8.323  -2.707  -6.133
   48   HG12  ILE   7          2HG1      ILE   7  -5.707  -1.631  -5.050
   49   HG13  ILE   7          1HG1      ILE   7  -6.621  -3.029  -4.487
   50   HG21  ILE   7          1HG2      ILE   7  -7.943  -0.701  -7.789
   51   HG22  ILE   7          2HG2      ILE   7  -7.210  -2.267  -8.141
   52   HG23  ILE   7          3HG2      ILE   7  -6.236  -0.976  -7.435
   53   HD11  ILE   7          3HD1      ILE   7  -5.383  -4.319  -5.845
   54   HD12  ILE   7          1HD1      ILE   7  -4.605  -2.903  -6.552
   55   HD13  ILE   7          2HD1      ILE   7  -6.123  -3.501  -7.219
   56    H    PHE   8           H        PHE   8  -9.290  -2.921  -4.450
   57    HA   PHE   8           HA       PHE   8  -9.331  -2.023  -1.583
   58    HB2  PHE   8           2HB      PHE   8 -11.540  -2.160  -2.620
   59    HB3  PHE   8           1HB      PHE   8 -11.199  -3.799  -3.189
   60    HD1  PHE   8           1HD      PHE   8 -10.521  -2.136   0.096
   61    HD2  PHE   8           2HD      PHE   8 -12.593  -5.260  -2.000
   62    HE1  PHE   8           1HE      PHE   8 -11.325  -3.052   2.255
   63    HE2  PHE   8           2HE      PHE   8 -13.398  -6.176   0.161
   64    HZ   PHE   8           HZ       PHE   8 -12.765  -5.071   2.288
   65    H    VAL   9           H        VAL   9  -8.494  -4.611  -3.801
   66    HA   VAL   9           HA       VAL   9  -8.169  -6.677  -1.789
   67    HB   VAL   9           HB       VAL   9  -8.586  -6.976  -4.227
   68   HG11  VAL   9          1HG1      VAL   9  -7.165  -6.189  -5.813
   69   HG12  VAL   9          2HG1      VAL   9  -5.741  -6.679  -4.895
   70   HG13  VAL   9          3HG1      VAL   9  -6.548  -5.158  -4.522
   71   HG21  VAL   9          3HG2      VAL   9  -7.801  -9.039  -3.764
   72   HG22  VAL   9          1HG2      VAL   9  -6.704  -8.380  -2.551
   73   HG23  VAL   9          2HG2      VAL   9  -6.194  -8.489  -4.235
   74    H    CYS  10           H        CYS  10  -6.870  -4.655  -0.610
   75    HA   CYS  10           HA       CYS  10  -3.960  -4.882  -1.242
   76    HB2  CYS  10           2HB      CYS  10  -5.301  -3.194   0.887
   77    HB3  CYS  10           1HB      CYS  10  -3.757  -2.903   0.089
   78    H    THR  11           H        THR  11  -5.903  -4.814   1.776
   79    HA   THR  11           HA       THR  11  -4.039  -6.088   3.456
   80    HB   THR  11           HB       THR  11  -7.073  -6.168   3.395
   81    HG1  THR  11           1HG      THR  11  -6.830  -4.446   4.840
   82   HG21  THR  11          3HG2      THR  11  -6.873  -7.659   5.074
   83   HG22  THR  11          1HG2      THR  11  -6.217  -6.335   6.034
   84   HG23  THR  11          2HG2      THR  11  -5.129  -7.424   5.174
   85    H    SER  12           H        SER  12  -6.482  -7.539   1.302
   86    HA   SER  12           HA       SER  12  -6.178 -10.256   2.099
   87    HB2  SER  12           2HB      SER  12  -7.607  -8.777   0.244
   88    HB3  SER  12           1HB      SER  12  -6.561  -9.763  -0.775
   89    HG   SER  12           HG       SER  12  -7.632 -11.479  -0.185
   90    H    TRP  13           H        TRP  13  -4.351  -8.260  -0.197
   91    HA   TRP  13           HA       TRP  13  -2.687 -10.385  -1.227
   92    HB2  TRP  13           2HB      TRP  13  -2.777  -7.396  -1.181
   93    HB3  TRP  13           1HB      TRP  13  -1.259  -8.155  -1.651
   94    HD1  TRP  13           HD       TRP  13  -3.066 -10.698  -2.994
   95    HE1  TRP  13           1HE      TRP  13  -3.951 -10.271  -5.377
   96    HE3  TRP  13           3HE      TRP  13  -2.705  -5.617  -3.161
   97    HZ2  TRP  13           2HZ      TRP  13  -4.442  -8.053  -7.129
   98    HZ3  TRP  13           3HZ      TRP  13  -3.385  -4.369  -5.183
   99    HH2  TRP  13           HH       TRP  13  -4.255  -5.573  -7.168
  100    H    ALA  14           H        ALA  14  -2.120  -7.841   1.238
  101    HA   ALA  14           HA       ALA  14   0.492  -8.372   2.008
  102    HB1  ALA  14           1HB      ALA  14  -0.567  -6.614   3.112
  103    HB2  ALA  14           2HB      ALA  14  -0.556  -7.835   4.385
  104    HB3  ALA  14           3HB      ALA  14  -2.019  -7.561   3.438
  105    H    ARG  15           H        ARG  15  -2.394 -10.276   2.818
  106    HA   ARG  15           HA       ARG  15  -1.163 -11.985   4.773
  107    HB2  ARG  15           2HB      ARG  15  -3.639 -11.541   4.154
  108    HB3  ARG  15           1HB      ARG  15  -3.396 -12.742   2.885
  109    HG2  ARG  15           2HG      ARG  15  -2.315 -14.050   5.009
  110    HG3  ARG  15           1HG      ARG  15  -3.567 -13.106   5.819
  111    HD2  ARG  15           2HD      ARG  15  -5.303 -14.135   4.613
  112    HD3  ARG  15           1HD      ARG  15  -4.217 -14.648   3.306
  113    HE   ARG  15           HE       ARG  15  -3.155 -15.930   5.486
  114   HH11  ARG  15          1HH2      ARG  15  -6.342 -15.631   4.188
  115   HH12  ARG  15          2HH2      ARG  15  -6.854 -17.187   4.749
  116   HH21  ARG  15          1HH1      ARG  15  -3.813 -17.962   6.215
  117   HH22  ARG  15          2HH1      ARG  15  -5.425 -18.505   5.891
  118    H    LYS  16           H        LYS  16  -0.892 -11.845   1.328
  119    HA   LYS  16           HA       LYS  16   0.077 -14.658   1.155
  120    HB2  LYS  16           2HB      LYS  16  -1.237 -12.715  -0.549
  121    HB3  LYS  16           1HB      LYS  16   0.210 -13.347  -1.336
  122    HG2  LYS  16           2HG      LYS  16  -0.618 -15.675  -0.676
  123    HG3  LYS  16           1HG      LYS  16  -2.155 -14.904  -0.278
  124    HD2  LYS  16           2HD      LYS  16  -2.278 -13.993  -2.581
  125    HD3  LYS  16           1HD      LYS  16  -0.772 -14.823  -2.975
  126    HE2  LYS  16           2HE      LYS  16  -2.082 -16.580  -3.588
  127    HE3  LYS  16           1HE      LYS  16  -2.363 -16.830  -1.854
  128    HZ1  LYS  16           3HZ      LYS  16  -4.083 -15.603  -3.841
  129    HZ2  LYS  16           1HZ      LYS  16  -3.992 -14.772  -2.367
  130    HZ3  LYS  16           2HZ      LYS  16  -4.490 -16.396  -2.395
  131    H    GLY  17           H        GLY  17   1.331 -11.605   1.770
  132    HA2  GLY  17           2HA      GLY  17   3.692 -11.238   2.148
  133    HA3  GLY  17           1HA      GLY  17   4.047 -12.524   0.988
  134    H    PHE  18           H        PHE  18   1.585 -10.505  -0.135
  135    HA   PHE  18           HA       PHE  18   2.918  -9.603  -2.441
  136    HB2  PHE  18           2HB      PHE  18   0.432  -9.304  -1.094
  137    HB3  PHE  18           1HB      PHE  18   0.969  -7.688  -1.546
  138    HD1  PHE  18           2HD      PHE  18   1.385  -7.112  -3.909
  139    HD2  PHE  18           1HD      PHE  18  -0.137 -10.962  -2.771
  140    HE1  PHE  18           2HE      PHE  18   0.723  -7.543  -6.258
  141    HE2  PHE  18           1HE      PHE  18  -0.802 -11.394  -5.122
  142    HZ   PHE  18           HZ       PHE  18  -0.372  -9.683  -6.866
  143    H    CYS  19           H        CYS  19   2.727  -8.119   0.777
  144    HA   CYS  19           HA       CYS  19   4.046  -5.640  -0.032
  145    HB2  CYS  19           2HB      CYS  19   3.638  -6.868   2.713
  146    HB3  CYS  19           1HB      CYS  19   3.917  -5.165   2.353
  147    H    ASP  20           H        ASP  20   5.220  -8.726   0.211
  148    HA   ASP  20           HA       ASP  20   7.898  -7.799   1.199
  149    HB2  ASP  20           2HB      ASP  20   6.374  -9.651   2.343
  150    HB3  ASP  20           1HB      ASP  20   7.067 -10.678   1.083
  151    H    VAL  21           H        VAL  21   6.497 -10.333  -0.931
  152    HA   VAL  21           HA       VAL  21   8.924 -10.350  -2.599
  153    HB   VAL  21           HB       VAL  21   7.555 -12.364  -1.961
  154   HG11  VAL  21          1HG1      VAL  21   5.397 -12.704  -3.078
  155   HG12  VAL  21          2HG1      VAL  21   5.536 -11.131  -3.862
  156   HG13  VAL  21          3HG1      VAL  21   5.350 -11.230  -2.110
  157   HG21  VAL  21          3HG2      VAL  21   8.648 -13.121  -3.795
  158   HG22  VAL  21          1HG2      VAL  21   8.433 -11.591  -4.644
  159   HG23  VAL  21          2HG2      VAL  21   7.159 -12.810  -4.687
  160    H    ARG  22           H        ARG  22   5.541  -9.284  -2.843
  161    HA   ARG  22           HA       ARG  22   6.059  -8.159  -5.553
  162    HB2  ARG  22           2HB      ARG  22   3.953  -9.522  -4.325
  163    HB3  ARG  22           1HB      ARG  22   3.389  -7.854  -4.406
  164    HG2  ARG  22           2HG      ARG  22   2.750  -8.988  -6.459
  165    HG3  ARG  22           1HG      ARG  22   4.014  -7.815  -6.832
  166    HD2  ARG  22           2HD      ARG  22   4.571  -9.902  -7.962
  167    HD3  ARG  22           1HD      ARG  22   5.699  -9.705  -6.606
  168    HE   ARG  22           HE       ARG  22   4.613 -11.493  -5.486
  169   HH11  ARG  22          1HH2      ARG  22   2.774 -10.323  -8.167
  170   HH12  ARG  22          2HH2      ARG  22   1.652 -11.641  -8.136
  171   HH21  ARG  22          1HH1      ARG  22   3.152 -13.209  -5.432
  172   HH22  ARG  22          2HH1      ARG  22   1.865 -13.274  -6.588
  173    H    GLN  23           H        GLN  23   6.392  -7.137  -2.414
  174    HA   GLN  23           HA       GLN  23   5.092  -4.780  -1.950
  175    HB2  GLN  23           2HB      GLN  23   6.904  -4.238  -0.575
  176    HB3  GLN  23           1HB      GLN  23   7.102  -5.977  -0.788
  177    HG2  GLN  23           2HG      GLN  23   8.467  -4.232  -2.792
  178    HG3  GLN  23           1HG      GLN  23   9.113  -4.226  -1.159
  179   HE21  GLN  23          1HE2      GLN  23  10.688  -5.778  -0.848
  180   HE22  GLN  23          2HE2      GLN  23  10.759  -7.276  -1.642
  181    H    ARG  24           H        ARG  24   7.430  -5.276  -4.544
  182    HA   ARG  24           HA       ARG  24   7.940  -2.517  -5.155
  183    HB2  ARG  24           2HB      ARG  24   7.875  -4.971  -6.942
  184    HB3  ARG  24           1HB      ARG  24   8.719  -3.462  -7.292
  185    HG2  ARG  24           2HG      ARG  24   9.939  -3.838  -5.051
  186    HG3  ARG  24           1HG      ARG  24   9.328  -5.490  -5.141
  187    HD2  ARG  24           2HD      ARG  24  10.771  -4.278  -7.500
  188    HD3  ARG  24           1HD      ARG  24  11.675  -5.020  -6.164
  189    HE   ARG  24           HE       ARG  24   9.447  -6.652  -7.150
  190   HH11  ARG  24          1HH2      ARG  24  12.789  -5.811  -7.412
  191   HH12  ARG  24          2HH2      ARG  24  13.246  -7.326  -8.113
  192   HH21  ARG  24          1HH1      ARG  24  10.036  -8.628  -8.068
  193   HH22  ARG  24          2HH1      ARG  24  11.692  -8.917  -8.483
  194    H    LEU  25           H        LEU  25   5.157  -4.510  -5.664
  195    HA   LEU  25           HA       LEU  25   4.082  -2.707  -7.771
  196    HB2  LEU  25           2HB      LEU  25   4.101  -5.210  -7.972
  197    HB3  LEU  25           1HB      LEU  25   3.009  -5.288  -6.589
  198    HG   LEU  25           HG       LEU  25   1.935  -3.393  -8.426
  199   HD11  LEU  25          1HD1      LEU  25   1.749  -5.792  -9.991
  200   HD12  LEU  25          2HD1      LEU  25   3.452  -5.393  -9.766
  201   HD13  LEU  25          3HD1      LEU  25   2.356  -4.210 -10.479
  202   HD21  LEU  25          3HD2      LEU  25   1.146  -6.202  -7.595
  203   HD22  LEU  25          1HD2      LEU  25   0.098  -5.122  -8.514
  204   HD23  LEU  25          2HD2      LEU  25   0.593  -4.688  -6.878
  205    H    MET  26           H        MET  26   2.578  -4.350  -4.967
  206    HA   MET  26           HA       MET  26   0.354  -2.838  -4.498
  207    HB2  MET  26           2HB      MET  26   2.397  -4.162  -2.790
  208    HB3  MET  26           1HB      MET  26   1.232  -3.128  -1.964
  209    HG2  MET  26           2HG      MET  26  -0.067  -4.823  -3.944
  210    HG3  MET  26           1HG      MET  26   0.823  -5.777  -2.758
  211    HE1  MET  26           3HE      MET  26  -1.039  -6.641  -0.626
  212    HE2  MET  26           1HE      MET  26  -0.523  -5.360   0.471
  213    HE3  MET  26           2HE      MET  26   0.608  -6.032  -0.701
  214    H    LYS  27           H        LYS  27   3.660  -1.780  -3.950
  215    HA   LYS  27           HA       LYS  27   3.572   0.349  -2.249
  216    HB2  LYS  27           2HB      LYS  27   5.384  -0.563  -3.863
  217    HB3  LYS  27           1HB      LYS  27   4.770   0.642  -4.997
  218    HG2  LYS  27           2HG      LYS  27   6.345   1.943  -3.937
  219    HG3  LYS  27           1HG      LYS  27   4.996   2.209  -2.832
  220    HD2  LYS  27           2HD      LYS  27   6.359   1.439  -1.203
  221    HD3  LYS  27           1HD      LYS  27   6.125  -0.159  -1.914
  222    HE2  LYS  27           2HE      LYS  27   8.162  -0.081  -3.083
  223    HE3  LYS  27           1HE      LYS  27   8.238   1.692  -3.018
  224    HZ1  LYS  27           3HZ      LYS  27   8.713  -0.257  -0.856
  225    HZ2  LYS  27           1HZ      LYS  27   8.203   1.318  -0.484
  226    HZ3  LYS  27           2HZ      LYS  27   9.662   1.074  -1.320
  227    H    ARG  28           H        ARG  28   2.467   0.582  -5.673
  228    HA   ARG  28           HA       ARG  28   1.461   3.317  -5.073
  229    HB2  ARG  28           2HB      ARG  28   1.563   3.621  -7.427
  230    HB3  ARG  28           1HB      ARG  28   2.973   2.648  -7.020
  231    HG2  ARG  28           2HG      ARG  28   2.270   1.001  -8.373
  232    HG3  ARG  28           1HG      ARG  28   0.744   0.897  -7.500
  233    HD2  ARG  28           2HD      ARG  28   0.031   1.473  -9.667
  234    HD3  ARG  28           1HD      ARG  28   0.138   3.065  -8.890
  235    HE   ARG  28           HE       ARG  28   1.956   3.538 -10.315
  236   HH11  ARG  28          1HH2      ARG  28   1.517   0.135  -9.905
  237   HH12  ARG  28          2HH2      ARG  28   2.773  -0.291 -11.018
  238   HH21  ARG  28          1HH1      ARG  28   3.597   2.992 -11.768
  239   HH22  ARG  28          2HH1      ARG  28   3.947   1.323 -12.076
  240    H    LEU  29           H        LEU  29   0.160   0.112  -5.477
  241    HA   LEU  29           HA       LEU  29  -2.519   1.298  -6.105
  242    HB2  LEU  29           2HB      LEU  29  -3.023  -1.129  -6.704
  243    HB3  LEU  29           1HB      LEU  29  -1.806  -0.329  -7.707
  244    HG   LEU  29           HG       LEU  29  -0.657  -1.570  -5.325
  245   HD11  LEU  29          1HD1      LEU  29  -1.378  -3.634  -7.311
  246   HD12  LEU  29          2HD1      LEU  29  -2.729  -3.043  -6.345
  247   HD13  LEU  29          3HD1      LEU  29  -1.317  -3.740  -5.550
  248   HD21  LEU  29          3HD2      LEU  29   0.723  -2.637  -7.241
  249   HD22  LEU  29          1HD2      LEU  29   0.816  -0.890  -7.042
  250   HD23  LEU  29          2HD2      LEU  29  -0.199  -1.580  -8.307
  251    H    CYS  30           H        CYS  30  -0.778  -0.360  -3.564
  252    HA   CYS  30           HA       CYS  30  -3.176  -0.176  -1.846
  253    HB2  CYS  30           2HB      CYS  30  -2.059  -2.689  -3.016
  254    HB3  CYS  30           1HB      CYS  30  -2.668  -2.755  -1.363
  255    HA   PRO  31           HA       PRO  31   1.056  -0.064   0.194
  256    HB2  PRO  31           2HB      PRO  31   1.212   2.613   0.709
  257    HB3  PRO  31           1HB      PRO  31   1.817   1.881  -0.791
  258    HG2  PRO  31           2HG      PRO  31  -0.671   3.416  -0.305
  259    HG3  PRO  31           1HG      PRO  31   0.353   3.344  -1.748
  260    HD2  PRO  31           2HD      PRO  31  -2.055   2.010  -1.428
  261    HD3  PRO  31           1HD      PRO  31  -0.795   1.586  -2.610
  262    H    ARG  32           H        ARG  32  -2.069   1.372   0.876
  263    HA   ARG  32           HA       ARG  32  -1.887   2.165   3.547
  264    HB2  ARG  32           2HB      ARG  32  -3.989   0.738   1.919
  265    HB3  ARG  32           1HB      ARG  32  -4.301   1.199   3.592
  266    HG2  ARG  32           2HG      ARG  32  -3.216   3.503   2.572
  267    HG3  ARG  32           1HG      ARG  32  -4.117   2.882   1.189
  268    HD2  ARG  32           2HD      ARG  32  -6.148   3.235   2.195
  269    HD3  ARG  32           1HD      ARG  32  -5.545   2.740   3.786
  270    HE   ARG  32           HE       ARG  32  -4.807   4.968   4.180
  271   HH11  ARG  32          1HH2      ARG  32  -5.818   4.477   0.904
  272   HH12  ARG  32          2HH2      ARG  32  -5.837   6.166   0.530
  273   HH21  ARG  32          1HH1      ARG  32  -4.832   7.161   3.692
  274   HH22  ARG  32          2HH1      ARG  32  -5.278   7.682   2.100
  275    H    SER  33           H        SER  33  -2.117  -1.138   2.269
  276    HA   SER  33           HA       SER  33  -2.283  -2.326   4.951
  277    HB2  SER  33           2HB      SER  33  -1.816  -3.602   2.241
  278    HB3  SER  33           1HB      SER  33  -2.433  -4.394   3.694
  279    HG   SER  33           HG       SER  33  -4.206  -2.888   3.583
  280    H    CYS  34           H        CYS  34   0.137  -2.447   2.293
  281    HA   CYS  34           HA       CYS  34   2.109  -3.897   3.785
  282    HB2  CYS  34           2HB      CYS  34   2.482  -1.926   1.518
  283    HB3  CYS  34           1HB      CYS  34   3.549  -3.265   1.933
  284    H    ASP  35           H        ASP  35   1.016  -0.720   4.239
  285    HA   ASP  35           HA       ASP  35   1.843   0.986   5.668
  286    HB2  ASP  35           2HB      ASP  35   2.842  -1.442   6.578
  287    HB3  ASP  35           1HB      ASP  35   4.298  -0.457   6.389
  288    H    PHE  36           H        PHE  36   2.881   0.332   2.792
  289    HA   PHE  36           HA       PHE  36   5.579   1.113   2.495
  290    HB2  PHE  36           2HB      PHE  36   3.098   1.494   0.801
  291    HB3  PHE  36           1HB      PHE  36   4.719   1.865   0.211
  292    HD1  PHE  36           1HD      PHE  36   6.146  -0.409   1.765
  293    HD2  PHE  36           2HD      PHE  36   2.634  -0.331  -0.709
  294    HE1  PHE  36           1HE      PHE  36   6.476  -2.800   1.220
  295    HE2  PHE  36           2HE      PHE  36   2.966  -2.726  -1.251
  296    HZ   PHE  36           HZ       PHE  36   4.887  -3.961  -0.287
  297    H    CYS  37           H        CYS  37   2.906   2.999   3.583
  298    HA   CYS  37           HA       CYS  37   4.525   5.500   3.196
  299    HB2  CYS  37           2HB      CYS  37   2.120   4.917   2.065
  300    HB3  CYS  37           1HB      CYS  37   1.585   5.665   3.575
  301    HXT  CYS  37           2H       CYS  37   2.629   4.650   6.760
  Start of MODEL   18
    1    H1   TYR   1           H        TYR   1  -4.122  12.642  -4.794
    2    HA   TYR   1           HA       TYR   1  -1.664  12.556  -5.097
    3    HB2  TYR   1           2HB      TYR   1  -2.542  11.913  -2.261
    4    HB3  TYR   1           1HB      TYR   1  -0.979  12.601  -2.697
    5    HD1  TYR   1           2HD      TYR   1  -0.963  14.825  -3.998
    6    HD2  TYR   1           1HD      TYR   1  -4.425  13.301  -1.962
    7    HE1  TYR   1           2HE      TYR   1  -1.965  17.093  -4.003
    8    HE2  TYR   1           1HE      TYR   1  -5.426  15.570  -1.966
    9    HH   TYR   1           HH       TYR   1  -3.732  18.323  -2.496
   10    H    GLY   2           H        GLY   2   0.327  11.259  -4.524
   11    HA2  GLY   2           2HA      GLY   2  -0.189   8.393  -5.008
   12    HA3  GLY   2           1HA      GLY   2   1.388   9.185  -5.054
   13    H    CYS   3           H        CYS   3   1.953   7.200  -3.710
   14    HA   CYS   3           HA       CYS   3   2.640   6.382  -1.609
   15    HB2  CYS   3           2HB      CYS   3   3.457   8.281  -0.674
   16    HB3  CYS   3           1HB      CYS   3   2.196   9.258  -1.403
   17    H    LEU   4           H        LEU   4  -0.430   6.694  -2.610
   18    HA   LEU   4           HA       LEU   4  -1.569   5.506  -0.099
   19    HB2  LEU   4           2HB      LEU   4  -2.516   7.605  -2.012
   20    HB3  LEU   4           1HB      LEU   4  -3.727   6.568  -1.259
   21    HG   LEU   4           HG       LEU   4  -1.879   7.359   0.767
   22   HD11  LEU   4          1HD1      LEU   4  -2.594   9.473  -1.207
   23   HD12  LEU   4          2HD1      LEU   4  -1.182   9.344  -0.159
   24   HD13  LEU   4          3HD1      LEU   4  -2.720   9.901   0.499
   25   HD21  LEU   4          3HD2      LEU   4  -3.847   8.014   1.882
   26   HD22  LEU   4          1HD2      LEU   4  -4.425   6.786   0.756
   27   HD23  LEU   4          2HD2      LEU   4  -4.644   8.497   0.384
   28    H    ASP   5           H        ASP   5  -3.791   4.374  -0.827
   29    HA   ASP   5           HA       ASP   5  -3.063   2.495  -3.028
   30    HB2  ASP   5           2HB      ASP   5  -4.411   0.937  -1.815
   31    HB3  ASP   5           1HB      ASP   5  -3.505   1.825  -0.588
   32    H    ARG   6           H        ARG   6  -4.875   1.785  -4.445
   33    HA   ARG   6           HA       ARG   6  -7.195   3.656  -4.589
   34    HB2  ARG   6           2HB      ARG   6  -6.675   3.788  -7.100
   35    HB3  ARG   6           1HB      ARG   6  -5.572   4.662  -6.037
   36    HG2  ARG   6           2HG      ARG   6  -3.832   3.225  -6.427
   37    HG3  ARG   6           1HG      ARG   6  -4.891   1.823  -6.583
   38    HD2  ARG   6           2HD      ARG   6  -4.241   2.090  -8.808
   39    HD3  ARG   6           1HD      ARG   6  -5.679   3.132  -8.789
   40    HE   ARG   6           HE       ARG   6  -3.445   4.660  -7.884
   41   HH11  ARG   6          1HH2      ARG   6  -4.719   3.127 -10.707
   42   HH12  ARG   6          2HH2      ARG   6  -3.966   4.235 -11.804
   43   HH21  ARG   6          1HH1      ARG   6  -2.460   6.110  -9.309
   44   HH22  ARG   6          2HH1      ARG   6  -2.688   5.920 -11.015
   45    H    ILE   7           H        ILE   7  -6.701   0.738  -3.927
   46    HA   ILE   7           HA       ILE   7  -8.654  -0.387  -5.902
   47    HB   ILE   7           HB       ILE   7  -7.271  -2.423  -5.993
   48   HG12  ILE   7          2HG1      ILE   7  -5.723  -0.903  -3.906
   49   HG13  ILE   7          1HG1      ILE   7  -6.208  -2.598  -3.913
   50   HG21  ILE   7          1HG2      ILE   7  -5.327  -1.444  -7.184
   51   HG22  ILE   7          2HG2      ILE   7  -5.703   0.130  -6.484
   52   HG23  ILE   7          3HG2      ILE   7  -6.828  -0.625  -7.614
   53   HD11  ILE   7          3HD1      ILE   7  -4.599  -2.950  -5.839
   54   HD12  ILE   7          1HD1      ILE   7  -3.839  -2.543  -4.300
   55   HD13  ILE   7          2HD1      ILE   7  -4.008  -1.313  -5.550
   56    H    PHE   8           H        PHE   8  -9.100  -2.833  -4.870
   57    HA   PHE   8           HA       PHE   8  -9.557  -2.481  -1.935
   58    HB2  PHE   8           2HB      PHE   8 -11.547  -1.752  -3.181
   59    HB3  PHE   8           1HB      PHE   8 -11.568  -3.284  -4.062
   60    HD1  PHE   8           1HD      PHE   8 -10.672  -2.985  -0.481
   61    HD2  PHE   8           2HD      PHE   8 -13.739  -4.021  -3.305
   62    HE1  PHE   8           1HE      PHE   8 -12.002  -4.018   1.340
   63    HE2  PHE   8           2HE      PHE   8 -15.066  -5.057  -1.485
   64    HZ   PHE   8           HZ       PHE   8 -14.200  -5.055   0.837
   65    H    VAL   9           H        VAL   9  -7.528  -4.084  -2.655
   66    HA   VAL   9           HA       VAL   9  -8.577  -6.802  -2.100
   67    HB   VAL   9           HB       VAL   9  -8.541  -6.511  -4.563
   68   HG11  VAL   9          1HG1      VAL   9  -6.620  -4.817  -4.438
   69   HG12  VAL   9          2HG1      VAL   9  -6.542  -5.993  -5.749
   70   HG13  VAL   9          3HG1      VAL   9  -5.544  -6.209  -4.313
   71   HG21  VAL   9          3HG2      VAL   9  -7.305  -8.561  -3.052
   72   HG22  VAL   9          1HG2      VAL   9  -6.257  -8.276  -4.442
   73   HG23  VAL   9          2HG2      VAL   9  -7.956  -8.684  -4.688
   74    H    CYS  10           H        CYS  10  -6.897  -4.730  -0.723
   75    HA   CYS  10           HA       CYS  10  -4.152  -5.745  -0.734
   76    HB2  CYS  10           2HB      CYS  10  -5.554  -3.939   1.260
   77    HB3  CYS  10           1HB      CYS  10  -3.822  -4.008   0.910
   78    H    THR  11           H        THR  11  -7.040  -6.150   1.294
   79    HA   THR  11           HA       THR  11  -5.943  -7.372   3.568
   80    HB   THR  11           HB       THR  11  -8.373  -6.746   2.834
   81    HG1  THR  11           1HG      THR  11  -9.116  -8.537   4.286
   82   HG21  THR  11          3HG2      THR  11  -8.230  -9.652   1.990
   83   HG22  THR  11          1HG2      THR  11  -8.498  -8.274   0.921
   84   HG23  THR  11          2HG2      THR  11  -9.710  -8.704   2.127
   85    H    SER  12           H        SER  12  -6.814  -8.908   0.456
   86    HA   SER  12           HA       SER  12  -5.932 -11.557   1.263
   87    HB2  SER  12           2HB      SER  12  -7.530 -11.471  -0.463
   88    HB3  SER  12           1HB      SER  12  -6.704 -10.152  -1.290
   89    HG   SER  12           HG       SER  12  -6.522 -12.529  -2.023
   90    H    TRP  13           H        TRP  13  -4.425  -8.783  -0.324
   91    HA   TRP  13           HA       TRP  13  -2.059 -10.147  -1.260
   92    HB2  TRP  13           2HB      TRP  13  -2.815  -7.285  -0.625
   93    HB3  TRP  13           1HB      TRP  13  -1.224  -7.711  -1.266
   94    HD1  TRP  13           HD       TRP  13  -3.442 -10.133  -2.725
   95    HE1  TRP  13           1HE      TRP  13  -4.207  -9.446  -5.089
   96    HE3  TRP  13           3HE      TRP  13  -2.105  -5.203  -2.692
   97    HZ2  TRP  13           2HZ      TRP  13  -4.250  -7.113  -6.744
   98    HZ3  TRP  13           3HZ      TRP  13  -2.517  -3.776  -4.672
   99    HH2  TRP  13           HH       TRP  13  -3.593  -4.720  -6.694
  100    H    ALA  14           H        ALA  14  -2.462  -7.886   1.506
  101    HA   ALA  14           HA       ALA  14   0.048  -8.248   2.711
  102    HB1  ALA  14           1HB      ALA  14  -2.113  -8.085   4.650
  103    HB2  ALA  14           2HB      ALA  14  -2.435  -7.044   3.262
  104    HB3  ALA  14           3HB      ALA  14  -0.945  -6.849   4.187
  105    H    ARG  15           H        ARG  15  -2.697 -10.431   2.642
  106    HA   ARG  15           HA       ARG  15  -1.681 -12.121   4.830
  107    HB2  ARG  15           2HB      ARG  15  -3.986 -12.137   2.885
  108    HB3  ARG  15           1HB      ARG  15  -3.651 -13.551   3.885
  109    HG2  ARG  15           2HG      ARG  15  -3.498 -11.483   5.709
  110    HG3  ARG  15           1HG      ARG  15  -4.800 -10.956   4.643
  111    HD2  ARG  15           2HD      ARG  15  -4.745 -13.791   5.681
  112    HD3  ARG  15           1HD      ARG  15  -5.437 -12.480   6.657
  113    HE   ARG  15           HE       ARG  15  -6.362 -12.474   3.883
  114   HH11  ARG  15          1HH2      ARG  15  -6.803 -13.695   7.083
  115   HH12  ARG  15          2HH2      ARG  15  -8.494 -13.999   6.874
  116   HH21  ARG  15          1HH1      ARG  15  -8.568 -12.864   3.597
  117   HH22  ARG  15          2HH1      ARG  15  -9.494 -13.526   4.903
  118    H    LYS  16           H        LYS  16  -0.903 -11.727   1.567
  119    HA   LYS  16           HA       LYS  16  -0.004 -14.581   1.333
  120    HB2  LYS  16           2HB      LYS  16  -1.644 -13.048  -0.291
  121    HB3  LYS  16           1HB      LYS  16  -0.079 -12.935  -1.097
  122    HG2  LYS  16           2HG      LYS  16  -0.398 -14.999  -1.933
  123    HG3  LYS  16           1HG      LYS  16  -0.382 -15.636  -0.288
  124    HD2  LYS  16           2HD      LYS  16  -2.919 -14.348  -0.933
  125    HD3  LYS  16           1HD      LYS  16  -2.553 -15.676  -2.035
  126    HE2  LYS  16           2HE      LYS  16  -3.664 -16.746  -0.229
  127    HE3  LYS  16           1HE      LYS  16  -1.949 -16.995   0.153
  128    HZ1  LYS  16           3HZ      LYS  16  -3.602 -15.884   1.875
  129    HZ2  LYS  16           1HZ      LYS  16  -3.178 -14.487   1.012
  130    HZ3  LYS  16           2HZ      LYS  16  -1.972 -15.417   1.766
  131    H    GLY  17           H        GLY  17   1.259 -11.820   2.341
  132    HA2  GLY  17           2HA      GLY  17   3.523 -11.160   2.523
  133    HA3  GLY  17           1HA      GLY  17   3.953 -12.492   1.444
  134    H    PHE  18           H        PHE  18   1.467 -10.279   0.450
  135    HA   PHE  18           HA       PHE  18   2.811  -9.590  -1.990
  136    HB2  PHE  18           2HB      PHE  18   0.281  -9.428  -0.841
  137    HB3  PHE  18           1HB      PHE  18   0.746  -7.743  -1.047
  138    HD1  PHE  18           1HD      PHE  18   0.469 -10.998  -2.856
  139    HD2  PHE  18           2HD      PHE  18   0.721  -6.721  -3.180
  140    HE1  PHE  18           1HE      PHE  18  -0.031 -11.150  -5.282
  141    HE2  PHE  18           2HE      PHE  18   0.222  -6.874  -5.604
  142    HZ   PHE  18           HZ       PHE  18  -0.154  -9.088  -6.656
  143    H    CYS  19           H        CYS  19   2.712  -8.072   1.201
  144    HA   CYS  19           HA       CYS  19   3.703  -5.476   0.415
  145    HB2  CYS  19           2HB      CYS  19   3.914  -7.024   3.019
  146    HB3  CYS  19           1HB      CYS  19   4.150  -5.285   2.845
  147    H    ASP  20           H        ASP  20   5.219  -8.566   0.676
  148    HA   ASP  20           HA       ASP  20   7.924  -7.260   0.646
  149    HB2  ASP  20           2HB      ASP  20   6.719  -9.490   2.120
  150    HB3  ASP  20           1HB      ASP  20   8.247  -9.932   1.347
  151    H    VAL  21           H        VAL  21   5.835  -9.743  -0.772
  152    HA   VAL  21           HA       VAL  21   7.884 -10.666  -2.658
  153    HB   VAL  21           HB       VAL  21   4.881 -11.102  -2.543
  154   HG11  VAL  21          1HG1      VAL  21   6.583 -13.261  -3.530
  155   HG12  VAL  21          2HG1      VAL  21   6.725 -11.800  -4.508
  156   HG13  VAL  21          3HG1      VAL  21   5.146 -12.547  -4.260
  157   HG21  VAL  21          3HG2      VAL  21   5.206 -12.738  -0.960
  158   HG22  VAL  21          1HG2      VAL  21   6.572 -11.709  -0.532
  159   HG23  VAL  21          2HG2      VAL  21   6.823 -13.129  -1.547
  160    H    ARG  22           H        ARG  22   4.715  -9.039  -3.039
  161    HA   ARG  22           HA       ARG  22   5.508  -8.140  -5.747
  162    HB2  ARG  22           2HB      ARG  22   3.087  -8.771  -4.271
  163    HB3  ARG  22           1HB      ARG  22   2.944  -7.211  -5.082
  164    HG2  ARG  22           2HG      ARG  22   4.232  -9.217  -6.769
  165    HG3  ARG  22           1HG      ARG  22   2.606  -9.697  -6.283
  166    HD2  ARG  22           2HD      ARG  22   1.761  -8.280  -7.829
  167    HD3  ARG  22           1HD      ARG  22   2.511  -6.922  -6.968
  168    HE   ARG  22           HE       ARG  22   4.183  -6.913  -8.628
  169   HH11  ARG  22          1HH2      ARG  22   2.676 -10.010  -8.370
  170   HH12  ARG  22          2HH2      ARG  22   3.574 -10.700  -9.679
  171   HH21  ARG  22          1HH1      ARG  22   5.361  -7.801 -10.338
  172   HH22  ARG  22          2HH1      ARG  22   5.092  -9.449 -10.795
  173    H    GLN  23           H        GLN  23   6.004  -6.975  -2.701
  174    HA   GLN  23           HA       GLN  23   5.179  -4.438  -2.284
  175    HB2  GLN  23           2HB      GLN  23   7.390  -3.985  -1.372
  176    HB3  GLN  23           1HB      GLN  23   7.010  -5.689  -1.110
  177    HG2  GLN  23           2HG      GLN  23   9.095  -5.981  -2.011
  178    HG3  GLN  23           1HG      GLN  23   8.204  -5.869  -3.526
  179   HE21  GLN  23          1HE2      GLN  23   9.972  -3.801  -1.167
  180   HE22  GLN  23          2HE2      GLN  23  10.483  -2.664  -2.320
  181    H    ARG  24           H        ARG  24   7.267  -5.352  -5.013
  182    HA   ARG  24           HA       ARG  24   8.061  -2.776  -5.883
  183    HB2  ARG  24           2HB      ARG  24   7.531  -5.450  -7.139
  184    HB3  ARG  24           1HB      ARG  24   7.870  -4.074  -8.191
  185    HG2  ARG  24           2HG      ARG  24   9.629  -4.974  -5.888
  186    HG3  ARG  24           1HG      ARG  24   9.939  -5.316  -7.589
  187    HD2  ARG  24           2HD      ARG  24   9.852  -2.581  -6.273
  188    HD3  ARG  24           1HD      ARG  24  11.254  -3.367  -7.021
  189    HE   ARG  24           HE       ARG  24   9.493  -3.401  -9.084
  190   HH11  ARG  24          1HH2      ARG  24  10.375  -0.927  -6.831
  191   HH12  ARG  24          2HH2      ARG  24  10.066   0.364  -7.940
  192   HH21  ARG  24          1HH1      ARG  24   9.104  -1.725 -10.531
  193   HH22  ARG  24          2HH1      ARG  24   9.351  -0.085 -10.033
  194    H    LEU  25           H        LEU  25   4.988  -4.468  -6.219
  195    HA   LEU  25           HA       LEU  25   3.895  -2.288  -7.925
  196    HB2  LEU  25           2HB      LEU  25   3.579  -4.630  -8.602
  197    HB3  LEU  25           1HB      LEU  25   2.832  -4.992  -7.045
  198    HG   LEU  25           HG       LEU  25   1.356  -2.831  -7.904
  199   HD11  LEU  25          1HD1      LEU  25   2.492  -4.274 -10.240
  200   HD12  LEU  25          2HD1      LEU  25   1.906  -2.616 -10.117
  201   HD13  LEU  25          3HD1      LEU  25   0.761  -3.945 -10.301
  202   HD21  LEU  25          3HD2      LEU  25   0.615  -5.042  -6.918
  203   HD22  LEU  25          1HD2      LEU  25   0.745  -5.737  -8.533
  204   HD23  LEU  25          2HD2      LEU  25  -0.420  -4.452  -8.219
  205    H    MET  26           H        MET  26   3.100  -4.065  -4.911
  206    HA   MET  26           HA       MET  26   0.830  -2.735  -4.047
  207    HB2  MET  26           2HB      MET  26   2.486  -4.545  -3.005
  208    HB3  MET  26           1HB      MET  26   3.075  -3.141  -2.111
  209    HG2  MET  26           2HG      MET  26   1.103  -2.875  -0.952
  210    HG3  MET  26           1HG      MET  26   0.121  -3.526  -2.267
  211    HE1  MET  26           3HE      MET  26  -1.368  -5.225  -0.861
  212    HE2  MET  26           1HE      MET  26  -0.675  -4.162   0.374
  213    HE3  MET  26           2HE      MET  26  -0.709  -5.906   0.627
  214    H    LYS  27           H        LYS  27   4.151  -1.503  -4.033
  215    HA   LYS  27           HA       LYS  27   4.130   0.686  -2.373
  216    HB2  LYS  27           2HB      LYS  27   5.726  -0.214  -4.311
  217    HB3  LYS  27           1HB      LYS  27   4.975   1.101  -5.216
  218    HG2  LYS  27           2HG      LYS  27   5.803   1.869  -2.503
  219    HG3  LYS  27           1HG      LYS  27   7.144   1.382  -3.540
  220    HD2  LYS  27           2HD      LYS  27   6.965   3.240  -4.817
  221    HD3  LYS  27           1HD      LYS  27   5.210   3.090  -4.924
  222    HE2  LYS  27           2HE      LYS  27   4.946   4.713  -3.370
  223    HE3  LYS  27           1HE      LYS  27   5.978   3.829  -2.228
  224    HZ1  LYS  27           3HZ      LYS  27   6.865   5.617  -4.429
  225    HZ2  LYS  27           1HZ      LYS  27   7.915   4.619  -3.543
  226    HZ3  LYS  27           2HZ      LYS  27   7.069   5.869  -2.760
  227    H    ARG  28           H        ARG  28   3.005   0.926  -5.776
  228    HA   ARG  28           HA       ARG  28   1.544   3.409  -5.139
  229    HB2  ARG  28           2HB      ARG  28   2.080   1.734  -7.601
  230    HB3  ARG  28           1HB      ARG  28   1.022   3.145  -7.648
  231    HG2  ARG  28           2HG      ARG  28   3.597   3.619  -6.298
  232    HG3  ARG  28           1HG      ARG  28   3.743   3.231  -8.013
  233    HD2  ARG  28           2HD      ARG  28   1.628   4.998  -8.024
  234    HD3  ARG  28           1HD      ARG  28   2.661   5.658  -6.740
  235    HE   ARG  28           HE       ARG  28   4.450   5.002  -8.752
  236   HH11  ARG  28          1HH2      ARG  28   1.561   6.880  -8.505
  237   HH12  ARG  28          2HH2      ARG  28   2.027   7.994  -9.745
  238   HH21  ARG  28          1HH1      ARG  28   5.068   6.454 -10.366
  239   HH22  ARG  28          2HH1      ARG  28   4.011   7.757 -10.795
  240    H    LEU  29           H        LEU  29   0.839   0.032  -5.985
  241    HA   LEU  29           HA       LEU  29  -1.976   0.242  -6.350
  242    HB2  LEU  29           2HB      LEU  29   0.077  -1.816  -5.721
  243    HB3  LEU  29           1HB      LEU  29  -1.599  -2.261  -5.392
  244    HG   LEU  29           HG       LEU  29  -0.504  -2.665  -7.780
  245   HD11  LEU  29          1HD1      LEU  29  -3.263  -1.471  -7.754
  246   HD12  LEU  29          2HD1      LEU  29  -2.934  -2.956  -6.862
  247   HD13  LEU  29          3HD1      LEU  29  -2.682  -2.900  -8.607
  248   HD21  LEU  29          3HD2      LEU  29  -0.722  -0.893  -9.319
  249   HD22  LEU  29          1HD2      LEU  29  -0.038  -0.111  -7.894
  250   HD23  LEU  29          2HD2      LEU  29  -1.761   0.037  -8.238
  251    H    CYS  30           H        CYS  30  -0.199  -0.822  -3.400
  252    HA   CYS  30           HA       CYS  30  -2.299   0.445  -1.731
  253    HB2  CYS  30           2HB      CYS  30  -2.773  -2.037  -2.539
  254    HB3  CYS  30           1HB      CYS  30  -1.660  -2.440  -1.228
  255    HA   PRO  31           HA       PRO  31   1.990   0.442   0.094
  256    HB2  PRO  31           2HB      PRO  31   2.121   3.163   0.425
  257    HB3  PRO  31           1HB      PRO  31   2.638   2.354  -1.067
  258    HG2  PRO  31           2HG      PRO  31   0.111   3.809  -0.480
  259    HG3  PRO  31           1HG      PRO  31   1.074   3.770  -1.968
  260    HD2  PRO  31           2HD      PRO  31  -1.225   2.339  -1.614
  261    HD3  PRO  31           1HD      PRO  31   0.088   1.846  -2.710
  262    H    ARG  32           H        ARG  32  -1.181   1.519   0.831
  263    HA   ARG  32           HA       ARG  32  -0.798   2.559   3.484
  264    HB2  ARG  32           2HB      ARG  32  -2.779   2.577   1.719
  265    HB3  ARG  32           1HB      ARG  32  -3.286   1.140   2.605
  266    HG2  ARG  32           2HG      ARG  32  -2.518   3.115   4.515
  267    HG3  ARG  32           1HG      ARG  32  -3.611   3.876   3.358
  268    HD2  ARG  32           2HD      ARG  32  -4.304   1.159   4.448
  269    HD3  ARG  32           1HD      ARG  32  -4.634   2.605   5.422
  270    HE   ARG  32           HE       ARG  32  -5.511   3.113   2.762
  271   HH11  ARG  32          1HH2      ARG  32  -6.215   1.121   5.492
  272   HH12  ARG  32          2HH2      ARG  32  -7.907   1.015   5.141
  273   HH21  ARG  32          1HH1      ARG  32  -7.713   2.983   2.292
  274   HH22  ARG  32          2HH1      ARG  32  -8.755   2.067   3.328
  275    H    SER  33           H        SER  33  -2.441  -0.507   2.641
  276    HA   SER  33           HA       SER  33  -2.496  -1.809   5.044
  277    HB2  SER  33           2HB      SER  33  -1.586  -3.008   2.409
  278    HB3  SER  33           1HB      SER  33  -2.367  -3.877   3.733
  279    HG   SER  33           HG       SER  33  -4.204  -2.610   3.409
  280    H    CYS  34           H        CYS  34   0.340  -1.982   2.841
  281    HA   CYS  34           HA       CYS  34   1.968  -3.222   4.952
  282    HB2  CYS  34           2HB      CYS  34   2.978  -2.131   2.332
  283    HB3  CYS  34           1HB      CYS  34   3.522  -3.555   3.214
  284    H    ASP  35           H        ASP  35   1.260  -0.026   3.856
  285    HA   ASP  35           HA       ASP  35   1.949   2.049   4.769
  286    HB2  ASP  35           2HB      ASP  35   2.304   0.283   6.761
  287    HB3  ASP  35           1HB      ASP  35   3.995   0.713   6.478
  288    H    PHE  36           H        PHE  36   3.132   1.216   2.349
  289    HA   PHE  36           HA       PHE  36   6.029   1.305   2.401
  290    HB2  PHE  36           2HB      PHE  36   3.845   1.712   0.362
  291    HB3  PHE  36           1HB      PHE  36   5.531   2.014  -0.066
  292    HD1  PHE  36           1HD      PHE  36   4.449  -0.562   2.372
  293    HD2  PHE  36           2HD      PHE  36   5.777   0.216  -1.636
  294    HE1  PHE  36           1HE      PHE  36   4.800  -2.980   2.014
  295    HE2  PHE  36           2HE      PHE  36   6.125  -2.209  -1.985
  296    HZ   PHE  36           HZ       PHE  36   5.638  -3.813  -0.162
  297    H    CYS  37           H        CYS  37   3.467   3.721   2.070
  298    HA   CYS  37           HA       CYS  37   5.295   5.944   1.563
  299    HB2  CYS  37           2HB      CYS  37   3.092   6.019   0.641
  300    HB3  CYS  37           1HB      CYS  37   2.353   5.597   2.188
  301    HXT  CYS  37           2H       CYS  37   3.897   6.488   5.384
  Start of MODEL   19
    1    H1   TYR   1           H        TYR   1  -2.382  14.878  -0.496
    2    HA   TYR   1           HA       TYR   1  -2.935  13.365  -3.019
    3    HB2  TYR   1           2HB      TYR   1  -1.756  16.132  -2.642
    4    HB3  TYR   1           1HB      TYR   1  -1.631  15.234  -4.156
    5    HD1  TYR   1           1HD      TYR   1  -4.025  14.084  -4.833
    6    HD2  TYR   1           2HD      TYR   1  -3.487  17.674  -2.539
    7    HE1  TYR   1           1HE      TYR   1  -6.306  14.826  -5.462
    8    HE2  TYR   1           2HE      TYR   1  -5.770  18.417  -3.166
    9    HH   TYR   1           HH       TYR   1  -7.992  16.301  -4.853
   10    H    GLY   2           H        GLY   2  -1.650  11.799  -1.503
   11    HA2  GLY   2           2HA      GLY   2   1.248  12.188  -2.085
   12    HA3  GLY   2           1HA      GLY   2   0.745  11.717  -0.463
   13    H    CYS   3           H        CYS   3   0.440   9.561  -0.060
   14    HA   CYS   3           HA       CYS   3   0.641   7.708  -2.407
   15    HB2  CYS   3           2HB      CYS   3   1.873   7.931   0.215
   16    HB3  CYS   3           1HB      CYS   3   1.132   6.344   0.003
   17    H    LEU   4           H        LEU   4  -1.091   6.394  -2.817
   18    HA   LEU   4           HA       LEU   4  -2.950   5.624  -0.641
   19    HB2  LEU   4           2HB      LEU   4  -4.877   6.565  -1.877
   20    HB3  LEU   4           1HB      LEU   4  -3.724   7.831  -1.457
   21    HG   LEU   4           HG       LEU   4  -3.219   6.508  -4.051
   22   HD11  LEU   4          1HD1      LEU   4  -5.723   8.118  -3.508
   23   HD12  LEU   4          2HD1      LEU   4  -5.595   6.543  -4.293
   24   HD13  LEU   4          3HD1      LEU   4  -5.016   7.990  -5.119
   25   HD21  LEU   4          3HD2      LEU   4  -2.662   8.961  -2.686
   26   HD22  LEU   4          1HD2      LEU   4  -3.532   9.348  -4.170
   27   HD23  LEU   4          2HD2      LEU   4  -2.037   8.415  -4.242
   28    H    ASP   5           H        ASP   5  -4.283   3.827  -1.256
   29    HA   ASP   5           HA       ASP   5  -3.102   2.136  -3.337
   30    HB2  ASP   5           2HB      ASP   5  -4.644   0.489  -2.391
   31    HB3  ASP   5           1HB      ASP   5  -3.840   1.363  -1.086
   32    H    ARG   6           H        ARG   6  -4.938   0.838  -4.640
   33    HA   ARG   6           HA       ARG   6  -6.915   2.807  -5.734
   34    HB2  ARG   6           2HB      ARG   6  -5.189   0.954  -7.396
   35    HB3  ARG   6           1HB      ARG   6  -6.174   2.303  -7.962
   36    HG2  ARG   6           2HG      ARG   6  -4.580   3.567  -6.145
   37    HG3  ARG   6           1HG      ARG   6  -3.481   2.321  -6.739
   38    HD2  ARG   6           2HD      ARG   6  -5.035   3.677  -8.859
   39    HD3  ARG   6           1HD      ARG   6  -3.873   4.714  -8.007
   40    HE   ARG   6           HE       ARG   6  -2.413   2.433  -8.426
   41   HH11  ARG   6          1HH2      ARG   6  -4.391   4.417 -10.449
   42   HH12  ARG   6          2HH2      ARG   6  -3.476   4.089 -11.883
   43   HH21  ARG   6          1HH1      ARG   6  -1.214   2.002 -10.289
   44   HH22  ARG   6          2HH1      ARG   6  -1.682   2.722 -11.793
   45    H    ILE   7           H        ILE   7  -6.515  -0.163  -4.319
   46    HA   ILE   7           HA       ILE   7  -9.030  -1.176  -5.576
   47    HB   ILE   7           HB       ILE   7  -7.875  -3.489  -5.407
   48   HG12  ILE   7          2HG1      ILE   7  -5.324  -3.159  -5.806
   49   HG13  ILE   7          1HG1      ILE   7  -5.549  -1.600  -5.025
   50   HG21  ILE   7          1HG2      ILE   7  -8.366  -2.263  -7.521
   51   HG22  ILE   7          2HG2      ILE   7  -6.887  -3.218  -7.620
   52   HG23  ILE   7          3HG2      ILE   7  -6.796  -1.471  -7.395
   53   HD11  ILE   7          3HD1      ILE   7  -5.457  -4.263  -3.842
   54   HD12  ILE   7          1HD1      ILE   7  -6.908  -3.382  -3.365
   55   HD13  ILE   7          2HD1      ILE   7  -5.317  -2.688  -3.061
   56    H    PHE   8           H        PHE   8  -9.733  -3.229  -4.175
   57    HA   PHE   8           HA       PHE   8  -9.357  -2.516  -1.282
   58    HB2  PHE   8           2HB      PHE   8 -11.746  -3.291  -1.076
   59    HB3  PHE   8           1HB      PHE   8 -11.553  -1.871  -2.108
   60    HD1  PHE   8           2HD      PHE   8 -11.679  -2.074  -4.570
   61    HD2  PHE   8           1HD      PHE   8 -12.396  -5.437  -1.996
   62    HE1  PHE   8           2HE      PHE   8 -12.714  -3.302  -6.460
   63    HE2  PHE   8           1HE      PHE   8 -13.430  -6.664  -3.885
   64    HZ   PHE   8           HZ       PHE   8 -13.588  -5.596  -6.118
   65    H    VAL   9           H        VAL   9  -8.251  -4.682  -3.317
   66    HA   VAL   9           HA       VAL   9  -9.062  -7.132  -1.825
   67    HB   VAL   9           HB       VAL   9  -9.163  -7.121  -4.281
   68   HG11  VAL   9          1HG1      VAL   9  -6.740  -7.091  -5.361
   69   HG12  VAL   9          2HG1      VAL   9  -6.360  -6.118  -3.940
   70   HG13  VAL   9          3HG1      VAL   9  -7.609  -5.586  -5.065
   71   HG21  VAL   9          3HG2      VAL   9  -8.341  -9.250  -4.453
   72   HG22  VAL   9          1HG2      VAL   9  -8.047  -9.066  -2.725
   73   HG23  VAL   9          2HG2      VAL   9  -6.741  -8.782  -3.877
   74    H    CYS  10           H        CYS  10  -6.492  -4.838  -2.000
   75    HA   CYS  10           HA       CYS  10  -4.154  -6.283  -1.528
   76    HB2  CYS  10           2HB      CYS  10  -4.809  -3.701  -1.511
   77    HB3  CYS  10           1HB      CYS  10  -4.785  -3.944   0.231
   78    H    THR  11           H        THR  11  -6.884  -5.790   0.650
   79    HA   THR  11           HA       THR  11  -5.745  -6.483   3.112
   80    HB   THR  11           HB       THR  11  -8.428  -7.138   1.857
   81    HG1  THR  11           1HG      THR  11  -8.721  -5.124   2.301
   82   HG21  THR  11          3HG2      THR  11  -7.472  -7.453   4.711
   83   HG22  THR  11          1HG2      THR  11  -8.127  -8.706   3.658
   84   HG23  THR  11          2HG2      THR  11  -9.176  -7.421   4.256
   85    H    SER  12           H        SER  12  -7.023  -8.656   0.582
   86    HA   SER  12           HA       SER  12  -6.265 -11.092   1.975
   87    HB2  SER  12           2HB      SER  12  -7.611 -10.225  -0.441
   88    HB3  SER  12           1HB      SER  12  -6.486 -11.529  -0.811
   89    HG   SER  12           HG       SER  12  -7.515 -12.822   0.642
   90    H    TRP  13           H        TRP  13  -4.664  -8.820  -0.134
   91    HA   TRP  13           HA       TRP  13  -2.549 -10.544  -1.085
   92    HB2  TRP  13           2HB      TRP  13  -2.993  -7.570  -0.783
   93    HB3  TRP  13           1HB      TRP  13  -1.471  -8.201  -1.409
   94    HD1  TRP  13           HD       TRP  13  -3.495 -10.707  -2.689
   95    HE1  TRP  13           1HE      TRP  13  -4.456 -10.190  -5.025
   96    HE3  TRP  13           3HE      TRP  13  -2.788  -5.653  -2.830
   97    HZ2  TRP  13           2HZ      TRP  13  -4.868  -7.925  -6.730
   98    HZ3  TRP  13           3HZ      TRP  13  -3.473  -4.340  -4.815
   99    HH2  TRP  13           HH       TRP  13  -4.512  -5.466  -6.764
  100    H    ALA  14           H        ALA  14  -2.436  -7.913   1.356
  101    HA   ALA  14           HA       ALA  14   0.105  -8.418   2.421
  102    HB1  ALA  14           1HB      ALA  14  -1.415  -7.678   4.599
  103    HB2  ALA  14           2HB      ALA  14  -2.437  -7.177   3.252
  104    HB3  ALA  14           3HB      ALA  14  -0.790  -6.558   3.389
  105    H    ARG  15           H        ARG  15  -2.925 -10.147   2.992
  106    HA   ARG  15           HA       ARG  15  -2.017 -11.669   5.277
  107    HB2  ARG  15           2HB      ARG  15  -4.388 -11.186   4.330
  108    HB3  ARG  15           1HB      ARG  15  -4.076 -12.551   3.256
  109    HG2  ARG  15           2HG      ARG  15  -4.329 -14.064   4.923
  110    HG3  ARG  15           1HG      ARG  15  -3.374 -13.100   6.050
  111    HD2  ARG  15           2HD      ARG  15  -5.651 -13.213   6.907
  112    HD3  ARG  15           1HD      ARG  15  -5.389 -11.567   6.294
  113    HE   ARG  15           HE       ARG  15  -6.384 -13.402   4.252
  114   HH11  ARG  15          1HH2      ARG  15  -7.176 -11.274   6.856
  115   HH12  ARG  15          2HH2      ARG  15  -8.762 -10.923   6.255
  116   HH21  ARG  15          1HH1      ARG  15  -8.447 -12.946   3.458
  117   HH22  ARG  15          2HH1      ARG  15  -9.479 -11.866   4.333
  118    H    LYS  16           H        LYS  16  -0.966 -11.745   2.087
  119    HA   LYS  16           HA       LYS  16  -0.198 -14.639   2.310
  120    HB2  LYS  16           2HB      LYS  16  -0.945 -12.850  -0.009
  121    HB3  LYS  16           1HB      LYS  16  -0.082 -14.367  -0.261
  122    HG2  LYS  16           2HG      LYS  16  -1.918 -15.491   1.109
  123    HG3  LYS  16           1HG      LYS  16  -2.815 -13.979   0.973
  124    HD2  LYS  16           2HD      LYS  16  -1.795 -14.751  -1.616
  125    HD3  LYS  16           1HD      LYS  16  -2.721 -16.077  -0.913
  126    HE2  LYS  16           2HE      LYS  16  -4.703 -14.867  -0.899
  127    HE3  LYS  16           1HE      LYS  16  -3.868 -13.308  -0.741
  128    HZ1  LYS  16           3HZ      LYS  16  -4.815 -13.951  -3.031
  129    HZ2  LYS  16           1HZ      LYS  16  -3.478 -14.991  -3.134
  130    HZ3  LYS  16           2HZ      LYS  16  -3.239 -13.319  -2.956
  131    H    GLY  17           H        GLY  17   0.899 -11.372   1.989
  132    HA2  GLY  17           2HA      GLY  17   3.280 -10.954   2.583
  133    HA3  GLY  17           1HA      GLY  17   3.693 -12.384   1.628
  134    H    PHE  18           H        PHE  18   1.213 -10.558   0.211
  135    HA   PHE  18           HA       PHE  18   2.502 -10.001  -2.210
  136    HB2  PHE  18           2HB      PHE  18   0.051  -9.547  -0.951
  137    HB3  PHE  18           1HB      PHE  18   0.620  -7.931  -1.362
  138    HD1  PHE  18           2HD      PHE  18   0.675 -11.333  -2.965
  139    HD2  PHE  18           1HD      PHE  18  -0.122  -7.139  -3.408
  140    HE1  PHE  18           2HE      PHE  18   0.017 -11.707  -5.328
  141    HE2  PHE  18           1HE      PHE  18  -0.781  -7.510  -5.768
  142    HZ   PHE  18           HZ       PHE  18  -0.714  -9.793  -6.729
  143    H    CYS  19           H        CYS  19   2.234  -7.892   0.663
  144    HA   CYS  19           HA       CYS  19   3.508  -5.592  -0.365
  145    HB2  CYS  19           2HB      CYS  19   2.496  -5.285   1.689
  146    HB3  CYS  19           1HB      CYS  19   2.985  -6.869   2.282
  147    H    ASP  20           H        ASP  20   4.878  -8.693   0.338
  148    HA   ASP  20           HA       ASP  20   7.633  -7.516   0.375
  149    HB2  ASP  20           2HB      ASP  20   6.378  -9.320   2.032
  150    HB3  ASP  20           1HB      ASP  20   7.251 -10.387   0.927
  151    H    VAL  21           H        VAL  21   6.315 -10.665  -0.706
  152    HA   VAL  21           HA       VAL  21   8.202 -11.087  -2.777
  153    HB   VAL  21           HB       VAL  21   6.665 -12.759  -1.762
  154   HG11  VAL  21          1HG1      VAL  21   4.503 -11.622  -3.534
  155   HG12  VAL  21          2HG1      VAL  21   4.698 -11.074  -1.871
  156   HG13  VAL  21          3HG1      VAL  21   4.339 -12.767  -2.204
  157   HG21  VAL  21          3HG2      VAL  21   5.763 -13.050  -4.507
  158   HG22  VAL  21          1HG2      VAL  21   6.952 -14.006  -3.621
  159   HG23  VAL  21          2HG2      VAL  21   7.449 -12.534  -4.454
  160    H    ARG  22           H        ARG  22   5.014  -9.502  -2.880
  161    HA   ARG  22           HA       ARG  22   5.420  -8.838  -5.753
  162    HB2  ARG  22           2HB      ARG  22   3.190  -9.251  -3.883
  163    HB3  ARG  22           1HB      ARG  22   2.962  -7.865  -4.952
  164    HG2  ARG  22           2HG      ARG  22   2.072  -9.786  -6.100
  165    HG3  ARG  22           1HG      ARG  22   3.599  -9.377  -6.884
  166    HD2  ARG  22           2HD      ARG  22   4.701 -11.083  -5.311
  167    HD3  ARG  22           1HD      ARG  22   3.057 -11.632  -4.936
  168    HE   ARG  22           HE       ARG  22   2.877 -12.488  -7.143
  169   HH11  ARG  22          1HH2      ARG  22   5.597 -10.387  -6.777
  170   HH12  ARG  22          2HH2      ARG  22   6.280 -10.796  -8.315
  171   HH21  ARG  22          1HH1      ARG  22   3.764 -13.028  -9.145
  172   HH22  ARG  22          2HH1      ARG  22   5.245 -12.286  -9.652
  173    H    GLN  23           H        GLN  23   6.273  -7.518  -2.865
  174    HA   GLN  23           HA       GLN  23   5.570  -4.981  -2.406
  175    HB2  GLN  23           2HB      GLN  23   7.514  -5.872  -1.376
  176    HB3  GLN  23           1HB      GLN  23   8.318  -6.121  -2.930
  177    HG2  GLN  23           2HG      GLN  23   8.459  -3.691  -3.266
  178    HG3  GLN  23           1HG      GLN  23   7.620  -3.420  -1.739
  179   HE21  GLN  23          1HE2      GLN  23   9.612  -2.250  -1.003
  180   HE22  GLN  23          2HE2      GLN  23  10.953  -3.141  -0.468
  181    H    ARG  24           H        ARG  24   8.042  -5.435  -4.971
  182    HA   ARG  24           HA       ARG  24   8.095  -2.945  -6.119
  183    HB2  ARG  24           2HB      ARG  24   8.549  -4.167  -8.261
  184    HB3  ARG  24           1HB      ARG  24   9.415  -4.847  -6.884
  185    HG2  ARG  24           2HG      ARG  24   7.475  -6.475  -6.622
  186    HG3  ARG  24           1HG      ARG  24   6.903  -5.910  -8.192
  187    HD2  ARG  24           2HD      ARG  24   9.489  -7.347  -7.565
  188    HD3  ARG  24           1HD      ARG  24   8.228  -7.814  -8.713
  189    HE   ARG  24           HE       ARG  24   8.843  -5.819 -10.072
  190   HH11  ARG  24          1HH2      ARG  24  11.081  -6.814  -7.588
  191   HH12  ARG  24          2HH2      ARG  24  12.428  -6.058  -8.357
  192   HH21  ARG  24          1HH1      ARG  24  10.608  -4.849 -11.033
  193   HH22  ARG  24          2HH1      ARG  24  12.168  -4.952 -10.286
  194    H    LEU  25           H        LEU  25   5.435  -5.250  -6.366
  195    HA   LEU  25           HA       LEU  25   4.004  -3.499  -8.299
  196    HB2  LEU  25           2HB      LEU  25   3.915  -5.803  -8.850
  197    HB3  LEU  25           1HB      LEU  25   3.659  -6.280  -7.172
  198    HG   LEU  25           HG       LEU  25   1.614  -4.484  -8.382
  199   HD11  LEU  25          1HD1      LEU  25   1.049  -7.309  -8.895
  200   HD12  LEU  25          2HD1      LEU  25   2.421  -6.714  -9.831
  201   HD13  LEU  25          3HD1      LEU  25   0.854  -5.916  -9.959
  202   HD21  LEU  25          3HD2      LEU  25   0.271  -6.434  -7.122
  203   HD22  LEU  25          1HD2      LEU  25   0.997  -5.089  -6.240
  204   HD23  LEU  25          2HD2      LEU  25   1.831  -6.639  -6.326
  205    H    MET  26           H        MET  26   3.633  -4.849  -5.008
  206    HA   MET  26           HA       MET  26   1.109  -3.507  -4.487
  207    HB2  MET  26           2HB      MET  26   2.406  -5.602  -3.438
  208    HB3  MET  26           1HB      MET  26   2.978  -4.365  -2.317
  209    HG2  MET  26           2HG      MET  26   0.287  -3.794  -2.502
  210    HG3  MET  26           1HG      MET  26   0.304  -5.551  -2.583
  211    HE1  MET  26           3HE      MET  26   0.358  -6.861   0.351
  212    HE2  MET  26           1HE      MET  26  -0.611  -6.297  -1.017
  213    HE3  MET  26           2HE      MET  26  -0.836  -5.584   0.578
  214    H    LYS  27           H        LYS  27   4.254  -2.323  -4.738
  215    HA   LYS  27           HA       LYS  27   4.111  -0.351  -2.561
  216    HB2  LYS  27           2HB      LYS  27   5.988  -1.297  -4.650
  217    HB3  LYS  27           1HB      LYS  27   6.161   0.400  -4.200
  218    HG2  LYS  27           2HG      LYS  27   5.800  -1.209  -1.830
  219    HG3  LYS  27           1HG      LYS  27   7.135  -1.848  -2.791
  220    HD2  LYS  27           2HD      LYS  27   7.011   1.110  -2.468
  221    HD3  LYS  27           1HD      LYS  27   7.464   0.172  -1.044
  222    HE2  LYS  27           2HE      LYS  27   9.402  -0.681  -2.063
  223    HE3  LYS  27           1HE      LYS  27   8.786  -0.379  -3.700
  224    HZ1  LYS  27           3HZ      LYS  27   9.103   1.865  -1.825
  225    HZ2  LYS  27           1HZ      LYS  27   9.136   1.875  -3.520
  226    HZ3  LYS  27           2HZ      LYS  27  10.466   1.278  -2.650
  227    H    ARG  28           H        ARG  28   3.185  -0.531  -5.919
  228    HA   ARG  28           HA       ARG  28   2.999   2.433  -6.122
  229    HB2  ARG  28           2HB      ARG  28   2.626   0.204  -8.145
  230    HB3  ARG  28           1HB      ARG  28   2.694   1.928  -8.510
  231    HG2  ARG  28           2HG      ARG  28   4.981   1.897  -7.306
  232    HG3  ARG  28           1HG      ARG  28   4.899   0.144  -7.484
  233    HD2  ARG  28           2HD      ARG  28   5.924   0.591  -9.494
  234    HD3  ARG  28           1HD      ARG  28   4.270   0.932 -10.027
  235    HE   ARG  28           HE       ARG  28   6.298   2.961  -9.259
  236   HH11  ARG  28          1HH2      ARG  28   3.067   2.176 -10.281
  237   HH12  ARG  28          2HH2      ARG  28   2.685   3.808 -10.696
  238   HH21  ARG  28          1HH1      ARG  28   5.778   5.068  -9.804
  239   HH22  ARG  28          2HH1      ARG  28   4.204   5.435 -10.428
  240    H    LEU  29           H        LEU  29   0.911  -0.334  -5.631
  241    HA   LEU  29           HA       LEU  29  -1.439   1.436  -6.217
  242    HB2  LEU  29           2HB      LEU  29  -2.569  -0.668  -6.883
  243    HB3  LEU  29           1HB      LEU  29  -1.121  -0.360  -7.842
  244    HG   LEU  29           HG       LEU  29  -0.217  -1.804  -5.611
  245   HD11  LEU  29          1HD1      LEU  29  -2.293  -3.571  -6.734
  246   HD12  LEU  29          2HD1      LEU  29  -2.919  -2.272  -5.716
  247   HD13  LEU  29          3HD1      LEU  29  -1.733  -3.407  -5.069
  248   HD21  LEU  29          3HD2      LEU  29   0.564  -1.936  -7.978
  249   HD22  LEU  29          1HD2      LEU  29  -0.912  -2.809  -8.390
  250   HD23  LEU  29          2HD2      LEU  29   0.259  -3.530  -7.285
  251    H    CYS  30           H        CYS  30   0.155   0.122  -3.616
  252    HA   CYS  30           HA       CYS  30  -2.268   0.297  -1.955
  253    HB2  CYS  30           2HB      CYS  30  -2.464  -1.956  -2.832
  254    HB3  CYS  30           1HB      CYS  30  -0.782  -2.302  -2.424
  255    HA   PRO  31           HA       PRO  31   1.879   1.089   0.067
  256    HB2  PRO  31           2HB      PRO  31   1.733   3.809   0.228
  257    HB3  PRO  31           1HB      PRO  31   2.427   2.967  -1.173
  258    HG2  PRO  31           2HG      PRO  31  -0.238   4.243  -0.866
  259    HG3  PRO  31           1HG      PRO  31   0.813   4.143  -2.288
  260    HD2  PRO  31           2HD      PRO  31  -1.414   2.560  -1.860
  261    HD3  PRO  31           1HD      PRO  31  -0.061   2.148  -2.940
  262    H    ARG  32           H        ARG  32  -1.396   1.445   0.625
  263    HA   ARG  32           HA       ARG  32  -1.259   2.812   3.223
  264    HB2  ARG  32           2HB      ARG  32  -3.675   2.386   3.193
  265    HB3  ARG  32           1HB      ARG  32  -3.156   2.974   1.613
  266    HG2  ARG  32           2HG      ARG  32  -4.125   1.139   0.730
  267    HG3  ARG  32           1HG      ARG  32  -2.823   0.202   1.462
  268    HD2  ARG  32           2HD      ARG  32  -4.129  -0.282   3.408
  269    HD3  ARG  32           1HD      ARG  32  -5.342   0.942   2.980
  270    HE   ARG  32           HE       ARG  32  -4.971  -1.052   0.886
  271   HH11  ARG  32          1HH2      ARG  32  -6.542  -0.257   3.857
  272   HH12  ARG  32          2HH2      ARG  32  -7.885  -1.313   3.578
  273   HH21  ARG  32          1HH1      ARG  32  -6.721  -2.427   0.509
  274   HH22  ARG  32          2HH1      ARG  32  -7.990  -2.537   1.682
  275    H    SER  33           H        SER  33  -0.884  -0.432   2.093
  276    HA   SER  33           HA       SER  33  -1.772  -1.730   4.570
  277    HB2  SER  33           2HB      SER  33  -0.289  -2.618   2.081
  278    HB3  SER  33           1HB      SER  33  -0.751  -3.724   3.376
  279    HG   SER  33           HG       SER  33  -2.593  -1.993   2.098
  280    H    CYS  34           H        CYS  34   1.411  -1.784   2.930
  281    HA   CYS  34           HA       CYS  34   2.753  -2.223   5.531
  282    HB2  CYS  34           2HB      CYS  34   3.294  -2.507   2.633
  283    HB3  CYS  34           1HB      CYS  34   4.695  -2.116   3.628
  284    H    ASP  35           H        ASP  35   1.577   0.483   4.299
  285    HA   ASP  35           HA       ASP  35   2.212   2.762   4.383
  286    HB2  ASP  35           2HB      ASP  35   4.324   1.705   6.284
  287    HB3  ASP  35           1HB      ASP  35   3.534   3.285   6.320
  288    H    PHE  36           H        PHE  36   3.437   1.058   2.342
  289    HA   PHE  36           HA       PHE  36   6.170   1.169   1.945
  290    HB2  PHE  36           2HB      PHE  36   3.873   1.755   0.059
  291    HB3  PHE  36           1HB      PHE  36   5.524   1.455  -0.490
  292    HD1  PHE  36           1HD      PHE  36   6.230  -0.628   1.675
  293    HD2  PHE  36           2HD      PHE  36   2.831  -0.180  -0.915
  294    HE1  PHE  36           1HE      PHE  36   5.811  -3.064   1.798
  295    HE2  PHE  36           2HE      PHE  36   2.418  -2.617  -0.790
  296    HZ   PHE  36           HZ       PHE  36   3.907  -4.058   0.566
  297    H    CYS  37           H        CYS  37   3.965   3.881   2.061
  298    HA   CYS  37           HA       CYS  37   6.199   5.771   2.092
  299    HB2  CYS  37           2HB      CYS  37   5.222   6.961   0.024
  300    HB3  CYS  37           1HB      CYS  37   6.111   5.463  -0.271
  301    HXT  CYS  37           2H       CYS  37   3.830   8.193   3.274
  Start of MODEL   20
    1    H1   TYR   1           H        TYR   1  -0.383  11.637  -0.314
    2    HA   TYR   1           HA       TYR   1  -1.528  13.492  -1.781
    3    HB2  TYR   1           2HB      TYR   1   1.376  14.104  -1.615
    4    HB3  TYR   1           1HB      TYR   1   0.620  14.385  -3.184
    5    HD1  TYR   1           2HD      TYR   1  -0.164  14.910   0.451
    6    HD2  TYR   1           1HD      TYR   1  -0.313  16.490  -3.541
    7    HE1  TYR   1           2HE      TYR   1  -1.177  17.002   1.317
    8    HE2  TYR   1           1HE      TYR   1  -1.328  18.582  -2.675
    9    HH   TYR   1           HH       TYR   1  -2.339  18.886   0.676
   10    H    GLY   2           H        GLY   2   0.941  11.034  -2.008
   11    HA2  GLY   2           2HA      GLY   2  -0.344  10.058  -4.507
   12    HA3  GLY   2           1HA      GLY   2   1.406  10.272  -4.497
   13    H    CYS   3           H        CYS   3  -0.306   9.235  -1.627
   14    HA   CYS   3           HA       CYS   3   0.738   6.454  -2.039
   15    HB2  CYS   3           2HB      CYS   3   0.716   8.013   0.560
   16    HB3  CYS   3           1HB      CYS   3   1.554   6.500   0.223
   17    H    LEU   4           H        LEU   4  -1.339   5.580  -2.490
   18    HA   LEU   4           HA       LEU   4  -3.078   5.193  -0.157
   19    HB2  LEU   4           2HB      LEU   4  -4.984   6.339  -1.063
   20    HB3  LEU   4           1HB      LEU   4  -3.630   7.459  -1.194
   21    HG   LEU   4           HG       LEU   4  -4.438   5.618  -3.456
   22   HD11  LEU   4          1HD1      LEU   4  -6.349   7.047  -2.995
   23   HD12  LEU   4          2HD1      LEU   4  -5.525   7.660  -4.429
   24   HD13  LEU   4          3HD1      LEU   4  -5.306   8.466  -2.877
   25   HD21  LEU   4          3HD2      LEU   4  -2.308   6.393  -3.957
   26   HD22  LEU   4          1HD2      LEU   4  -2.526   7.886  -3.045
   27   HD23  LEU   4          2HD2      LEU   4  -3.277   7.705  -4.629
   28    H    ASP   5           H        ASP   5  -4.652   3.539  -0.529
   29    HA   ASP   5           HA       ASP   5  -3.826   1.488  -2.387
   30    HB2  ASP   5           2HB      ASP   5  -5.794   0.339  -1.413
   31    HB3  ASP   5           1HB      ASP   5  -4.810   1.093  -0.160
   32    H    ARG   6           H        ARG   6  -4.522   1.169  -4.462
   33    HA   ARG   6           HA       ARG   6  -6.507   3.025  -5.615
   34    HB2  ARG   6           2HB      ARG   6  -4.578   0.931  -6.617
   35    HB3  ARG   6           1HB      ARG   6  -5.778   1.640  -7.695
   36    HG2  ARG   6           2HG      ARG   6  -4.925   3.881  -7.236
   37    HG3  ARG   6           1HG      ARG   6  -3.783   3.232  -6.059
   38    HD2  ARG   6           2HD      ARG   6  -2.314   3.096  -7.792
   39    HD3  ARG   6           1HD      ARG   6  -3.289   1.726  -8.359
   40    HE   ARG   6           HE       ARG   6  -4.252   3.144  -9.989
   41   HH11  ARG   6          1HH2      ARG   6  -2.628   4.930  -7.514
   42   HH12  ARG   6          2HH2      ARG   6  -2.807   6.453  -8.317
   43   HH21  ARG   6          1HH1      ARG   6  -4.501   5.125 -11.036
   44   HH22  ARG   6          2HH1      ARG   6  -3.865   6.564 -10.308
   45    H    ILE   7           H        ILE   7  -6.475  -0.116  -4.245
   46    HA   ILE   7           HA       ILE   7  -9.253  -0.575  -5.226
   47    HB   ILE   7           HB       ILE   7  -8.552  -2.964  -5.711
   48   HG12  ILE   7          2HG1      ILE   7  -5.840  -1.714  -5.212
   49   HG13  ILE   7          1HG1      ILE   7  -6.531  -3.132  -4.426
   50   HG21  ILE   7          1HG2      ILE   7  -6.805  -1.375  -7.481
   51   HG22  ILE   7          2HG2      ILE   7  -8.437  -0.731  -7.301
   52   HG23  ILE   7          3HG2      ILE   7  -8.199  -2.379  -7.880
   53   HD11  ILE   7          3HD1      ILE   7  -5.088  -2.940  -6.955
   54   HD12  ILE   7          1HD1      ILE   7  -6.639  -3.760  -7.138
   55   HD13  ILE   7          2HD1      ILE   7  -5.452  -4.363  -5.981
   56    H    PHE   8           H        PHE   8  -9.845  -2.923  -4.064
   57    HA   PHE   8           HA       PHE   8  -9.193  -2.495  -1.168
   58    HB2  PHE   8           2HB      PHE   8 -11.620  -2.978  -2.742
   59    HB3  PHE   8           1HB      PHE   8 -11.481  -4.059  -1.352
   60    HD1  PHE   8           2HD      PHE   8 -11.604  -0.513  -2.422
   61    HD2  PHE   8           1HD      PHE   8 -11.636  -3.232   0.903
   62    HE1  PHE   8           2HE      PHE   8 -12.288   1.336  -0.917
   63    HE2  PHE   8           1HE      PHE   8 -12.322  -1.384   2.408
   64    HZ   PHE   8           HZ       PHE   8 -12.648   0.899   1.499
   65    H    VAL   9           H        VAL   9  -7.938  -4.280  -3.442
   66    HA   VAL   9           HA       VAL   9  -8.395  -7.008  -2.443
   67    HB   VAL   9           HB       VAL   9  -6.556  -5.718  -4.481
   68   HG11  VAL   9          1HG1      VAL   9  -5.293  -7.598  -4.051
   69   HG12  VAL   9          2HG1      VAL   9  -6.471  -8.316  -5.151
   70   HG13  VAL   9          3HG1      VAL   9  -6.666  -8.500  -3.408
   71   HG21  VAL   9          3HG2      VAL   9  -8.045  -6.796  -6.091
   72   HG22  VAL   9          1HG2      VAL   9  -9.004  -5.816  -4.982
   73   HG23  VAL   9          2HG2      VAL   9  -8.944  -7.567  -4.785
   74    H    CYS  10           H        CYS  10  -6.751  -4.481  -1.151
   75    HA   CYS  10           HA       CYS  10  -4.127  -5.431  -0.607
   76    HB2  CYS  10           2HB      CYS  10  -5.983  -3.765   1.126
   77    HB3  CYS  10           1HB      CYS  10  -4.215  -3.762   1.186
   78    H    THR  11           H        THR  11  -7.230  -6.333   0.767
   79    HA   THR  11           HA       THR  11  -6.251  -7.539   3.199
   80    HB   THR  11           HB       THR  11  -8.632  -6.822   2.381
   81    HG1  THR  11           1HG      THR  11  -7.950  -9.087   3.892
   82   HG21  THR  11          3HG2      THR  11  -8.694  -8.226   0.376
   83   HG22  THR  11          1HG2      THR  11  -9.962  -8.719   1.498
   84   HG23  THR  11          2HG2      THR  11  -8.484  -9.672   1.365
   85    H    SER  12           H        SER  12  -6.925  -8.806  -0.061
   86    HA   SER  12           HA       SER  12  -6.201 -11.545   0.588
   87    HB2  SER  12           2HB      SER  12  -7.550 -11.482  -1.266
   88    HB3  SER  12           1HB      SER  12  -6.968  -9.893  -1.755
   89    HG   SER  12           HG       SER  12  -6.312 -12.165  -2.806
   90    H    TRP  13           H        TRP  13  -4.454  -8.701  -0.515
   91    HA   TRP  13           HA       TRP  13  -2.052 -10.218  -1.287
   92    HB2  TRP  13           2HB      TRP  13  -2.886  -7.321  -1.083
   93    HB3  TRP  13           1HB      TRP  13  -1.211  -7.763  -1.427
   94    HD1  TRP  13           HD       TRP  13  -2.412 -10.462  -3.091
   95    HE1  TRP  13           1HE      TRP  13  -3.088 -10.032  -5.541
   96    HE3  TRP  13           3HE      TRP  13  -2.914  -5.382  -2.988
   97    HZ2  TRP  13           2HZ      TRP  13  -3.755  -7.823  -7.235
   98    HZ3  TRP  13           3HZ      TRP  13  -3.569  -4.141  -5.031
   99    HH2  TRP  13           HH       TRP  13  -3.990  -5.354  -7.151
  100    H    ALA  14           H        ALA  14  -2.895  -7.841   1.255
  101    HA   ALA  14           HA       ALA  14  -0.535  -7.745   2.715
  102    HB1  ALA  14           1HB      ALA  14  -3.431  -7.882   3.600
  103    HB2  ALA  14           2HB      ALA  14  -2.491  -6.431   3.253
  104    HB3  ALA  14           3HB      ALA  14  -2.113  -7.407   4.673
  105    H    ARG  15           H        ARG  15  -3.094 -10.240   2.999
  106    HA   ARG  15           HA       ARG  15  -1.675 -11.751   5.032
  107    HB2  ARG  15           2HB      ARG  15  -3.505 -13.300   4.732
  108    HB3  ARG  15           1HB      ARG  15  -4.166 -11.673   4.572
  109    HG2  ARG  15           2HG      ARG  15  -4.119 -11.835   2.148
  110    HG3  ARG  15           1HG      ARG  15  -3.303 -13.397   2.234
  111    HD2  ARG  15           2HD      ARG  15  -6.099 -12.792   3.267
  112    HD3  ARG  15           1HD      ARG  15  -5.695 -13.778   1.849
  113    HE   ARG  15           HE       ARG  15  -5.411 -14.611   4.634
  114   HH11  ARG  15          1HH2      ARG  15  -4.314 -14.945   1.378
  115   HH12  ARG  15          2HH2      ARG  15  -3.640 -16.519   1.630
  116   HH21  ARG  15          1HH1      ARG  15  -4.532 -16.664   4.976
  117   HH22  ARG  15          2HH1      ARG  15  -3.762 -17.490   3.663
  118    H    LYS  16           H        LYS  16  -0.912 -11.291   1.830
  119    HA   LYS  16           HA       LYS  16   0.187 -14.069   1.541
  120    HB2  LYS  16           2HB      LYS  16  -1.559 -12.978  -0.091
  121    HB3  LYS  16           1HB      LYS  16  -0.160 -12.094  -0.704
  122    HG2  LYS  16           2HG      LYS  16   0.979 -14.110  -1.298
  123    HG3  LYS  16           1HG      LYS  16  -0.168 -15.103  -0.399
  124    HD2  LYS  16           2HD      LYS  16  -1.693 -15.088  -2.085
  125    HD3  LYS  16           1HD      LYS  16  -1.396 -13.390  -2.465
  126    HE2  LYS  16           2HE      LYS  16   0.374 -13.887  -3.913
  127    HE3  LYS  16           1HE      LYS  16   0.708 -15.443  -3.126
  128    HZ1  LYS  16           3HZ      LYS  16  -1.463 -14.734  -4.984
  129    HZ2  LYS  16           1HZ      LYS  16  -1.720 -15.955  -3.837
  130    HZ3  LYS  16           2HZ      LYS  16  -0.469 -16.110  -4.974
  131    H    GLY  17           H        GLY  17   1.291 -11.392   2.788
  132    HA2  GLY  17           2HA      GLY  17   3.445 -10.470   2.987
  133    HA3  GLY  17           1HA      GLY  17   4.031 -11.830   2.023
  134    H    PHE  18           H        PHE  18   1.495 -10.066   0.559
  135    HA   PHE  18           HA       PHE  18   2.819  -9.402  -1.800
  136    HB2  PHE  18           2HB      PHE  18   0.353  -8.924  -0.533
  137    HB3  PHE  18           1HB      PHE  18   0.953  -7.331  -0.995
  138    HD1  PHE  18           2HD      PHE  18   0.395 -10.779  -2.318
  139    HD2  PHE  18           1HD      PHE  18   0.827  -6.605  -3.235
  140    HE1  PHE  18           2HE      PHE  18  -0.211 -11.235  -4.679
  141    HE2  PHE  18           1HE      PHE  18   0.223  -7.063  -5.598
  142    HZ   PHE  18           HZ       PHE  18  -0.297  -9.378  -6.318
  143    H    CYS  19           H        CYS  19   2.726  -7.557   1.236
  144    HA   CYS  19           HA       CYS  19   3.959  -5.158   0.280
  145    HB2  CYS  19           2HB      CYS  19   4.232  -6.446   3.012
  146    HB3  CYS  19           1HB      CYS  19   4.311  -4.726   2.633
  147    H    ASP  20           H        ASP  20   5.214  -8.314   0.613
  148    HA   ASP  20           HA       ASP  20   8.021  -7.256   0.528
  149    HB2  ASP  20           2HB      ASP  20   6.867  -8.784   2.473
  150    HB3  ASP  20           1HB      ASP  20   7.502 -10.040   1.405
  151    H    VAL  21           H        VAL  21   5.919  -9.985  -0.452
  152    HA   VAL  21           HA       VAL  21   7.757 -11.070  -2.393
  153    HB   VAL  21           HB       VAL  21   4.731 -11.241  -2.251
  154   HG11  VAL  21          1HG1      VAL  21   5.954 -13.691  -2.965
  155   HG12  VAL  21          2HG1      VAL  21   6.736 -12.443  -3.936
  156   HG13  VAL  21          3HG1      VAL  21   4.984 -12.638  -3.994
  157   HG21  VAL  21          3HG2      VAL  21   4.891 -12.652  -0.464
  158   HG22  VAL  21          1HG2      VAL  21   6.415 -11.813  -0.180
  159   HG23  VAL  21          2HG2      VAL  21   6.404 -13.358  -1.030
  160    H    ARG  22           H        ARG  22   4.707  -9.262  -2.866
  161    HA   ARG  22           HA       ARG  22   5.569  -8.564  -5.630
  162    HB2  ARG  22           2HB      ARG  22   2.907  -7.971  -4.331
  163    HB3  ARG  22           1HB      ARG  22   3.254  -8.275  -6.034
  164    HG2  ARG  22           2HG      ARG  22   4.126 -10.577  -4.639
  165    HG3  ARG  22           1HG      ARG  22   2.547 -10.167  -3.965
  166    HD2  ARG  22           2HD      ARG  22   1.787 -11.351  -5.774
  167    HD3  ARG  22           1HD      ARG  22   2.072  -9.829  -6.642
  168    HE   ARG  22           HE       ARG  22   4.533 -10.867  -6.793
  169   HH11  ARG  22          1HH2      ARG  22   1.456 -12.413  -7.163
  170   HH12  ARG  22          2HH2      ARG  22   2.071 -13.660  -8.189
  171   HH21  ARG  22          1HH1      ARG  22   5.328 -12.486  -8.135
  172   HH22  ARG  22          2HH1      ARG  22   4.253 -13.701  -8.742
  173    H    GLN  23           H        GLN  23   5.922  -7.273  -2.628
  174    HA   GLN  23           HA       GLN  23   5.106  -4.722  -2.333
  175    HB2  GLN  23           2HB      GLN  23   7.170  -4.338  -1.217
  176    HB3  GLN  23           1HB      GLN  23   6.946  -6.088  -1.160
  177    HG2  GLN  23           2HG      GLN  23   8.386  -6.311  -3.181
  178    HG3  GLN  23           1HG      GLN  23   8.666  -4.567  -3.144
  179   HE21  GLN  23          1HE2      GLN  23  10.308  -7.246  -2.430
  180   HE22  GLN  23          2HE2      GLN  23  11.126  -6.773  -1.020
  181    H    ARG  24           H        ARG  24   7.446  -5.707  -4.845
  182    HA   ARG  24           HA       ARG  24   8.233  -3.165  -5.786
  183    HB2  ARG  24           2HB      ARG  24   7.706  -5.819  -7.151
  184    HB3  ARG  24           1HB      ARG  24   8.450  -4.456  -7.988
  185    HG2  ARG  24           2HG      ARG  24   9.992  -4.471  -5.790
  186    HG3  ARG  24           1HG      ARG  24   9.554  -6.180  -5.822
  187    HD2  ARG  24           2HD      ARG  24  10.171  -5.676  -8.476
  188    HD3  ARG  24           1HD      ARG  24  11.360  -4.697  -7.594
  189    HE   ARG  24           HE       ARG  24  10.965  -7.407  -6.526
  190   HH11  ARG  24          1HH2      ARG  24  12.713  -5.320  -8.655
  191   HH12  ARG  24          2HH2      ARG  24  14.130  -6.314  -8.670
  192   HH21  ARG  24          1HH1      ARG  24  12.807  -8.708  -6.543
  193   HH22  ARG  24          2HH1      ARG  24  14.184  -8.227  -7.478
  194    H    LEU  25           H        LEU  25   5.273  -5.004  -6.408
  195    HA   LEU  25           HA       LEU  25   4.242  -2.856  -8.192
  196    HB2  LEU  25           2HB      LEU  25   3.801  -4.941  -9.130
  197    HB3  LEU  25           1HB      LEU  25   3.646  -5.725  -7.559
  198    HG   LEU  25           HG       LEU  25   1.611  -3.659  -8.265
  199   HD11  LEU  25          1HD1      LEU  25   0.313  -5.665  -9.327
  200   HD12  LEU  25          2HD1      LEU  25   1.920  -6.336  -9.605
  201   HD13  LEU  25          3HD1      LEU  25   1.476  -4.786 -10.318
  202   HD21  LEU  25          3HD2      LEU  25   1.866  -6.146  -6.620
  203   HD22  LEU  25          1HD2      LEU  25   0.261  -5.699  -7.199
  204   HD23  LEU  25          2HD2      LEU  25   1.175  -4.583  -6.184
  205    H    MET  26           H        MET  26   3.669  -4.398  -5.054
  206    HA   MET  26           HA       MET  26   1.167  -3.223  -4.385
  207    HB2  MET  26           2HB      MET  26   2.509  -5.067  -3.243
  208    HB3  MET  26           1HB      MET  26   3.492  -3.788  -2.529
  209    HG2  MET  26           2HG      MET  26   1.743  -4.396  -0.957
  210    HG3  MET  26           1HG      MET  26   1.408  -2.781  -1.582
  211    HE1  MET  26           3HE      MET  26  -1.885  -4.972  -0.887
  212    HE2  MET  26           1HE      MET  26  -0.517  -4.197  -0.074
  213    HE3  MET  26           2HE      MET  26  -0.410  -5.884  -0.570
  214    H    LYS  27           H        LYS  27   4.277  -1.795  -4.737
  215    HA   LYS  27           HA       LYS  27   4.134   0.357  -2.857
  216    HB2  LYS  27           2HB      LYS  27   5.982  -0.641  -4.503
  217    HB3  LYS  27           1HB      LYS  27   5.412   0.661  -5.546
  218    HG2  LYS  27           2HG      LYS  27   5.927   2.326  -3.892
  219    HG3  LYS  27           1HG      LYS  27   6.238   1.094  -2.668
  220    HD2  LYS  27           2HD      LYS  27   8.136   0.248  -4.037
  221    HD3  LYS  27           1HD      LYS  27   7.854   1.553  -5.193
  222    HE2  LYS  27           2HE      LYS  27   8.222   3.213  -3.350
  223    HE3  LYS  27           1HE      LYS  27   8.634   1.865  -2.271
  224    HZ1  LYS  27           3HZ      LYS  27  10.659   2.587  -3.228
  225    HZ2  LYS  27           1HZ      LYS  27   9.996   2.653  -4.787
  226    HZ3  LYS  27           2HZ      LYS  27  10.248   1.151  -4.034
  227    H    ARG  28           H        ARG  28   2.943   0.055  -6.204
  228    HA   ARG  28           HA       ARG  28   1.901   2.838  -6.109
  229    HB2  ARG  28           2HB      ARG  28   1.877   0.779  -8.333
  230    HB3  ARG  28           1HB      ARG  28   1.671   2.522  -8.495
  231    HG2  ARG  28           2HG      ARG  28   3.906   2.923  -8.361
  232    HG3  ARG  28           1HG      ARG  28   4.152   1.706  -7.114
  233    HD2  ARG  28           2HD      ARG  28   3.659   0.013  -9.085
  234    HD3  ARG  28           1HD      ARG  28   4.167   1.379 -10.097
  235    HE   ARG  28           HE       ARG  28   6.006   1.124  -7.927
  236   HH11  ARG  28          1HH2      ARG  28   4.966  -0.459 -10.816
  237   HH12  ARG  28          2HH2      ARG  28   6.492  -1.224 -11.099
  238   HH21  ARG  28          1HH1      ARG  28   8.003   0.128  -8.291
  239   HH22  ARG  28          2HH1      ARG  28   8.208  -0.891  -9.677
  240    H    LEU  29           H        LEU  29   0.797  -0.446  -5.806
  241    HA   LEU  29           HA       LEU  29  -1.996   0.217  -6.501
  242    HB2  LEU  29           2HB      LEU  29  -0.494  -2.249  -5.602
  243    HB3  LEU  29           1HB      LEU  29  -2.247  -2.248  -5.834
  244    HG   LEU  29           HG       LEU  29  -0.122  -1.655  -7.914
  245   HD11  LEU  29          1HD1      LEU  29  -1.048  -3.589  -9.049
  246   HD12  LEU  29          2HD1      LEU  29  -2.338  -3.722  -7.853
  247   HD13  LEU  29          3HD1      LEU  29  -0.668  -4.052  -7.391
  248   HD21  LEU  29          3HD2      LEU  29  -2.422  -1.630  -9.316
  249   HD22  LEU  29          1HD2      LEU  29  -1.717  -0.161  -8.638
  250   HD23  LEU  29          2HD2      LEU  29  -3.023  -0.985  -7.787
  251    H    CYS  30           H        CYS  30  -0.359  -1.081  -3.554
  252    HA   CYS  30           HA       CYS  30  -2.426   0.368  -1.937
  253    HB2  CYS  30           2HB      CYS  30  -2.755  -2.176  -2.430
  254    HB3  CYS  30           1HB      CYS  30  -1.475  -2.392  -1.230
  255    HA   PRO  31           HA       PRO  31   1.758   1.084  -0.195
  256    HB2  PRO  31           2HB      PRO  31   1.533   3.797   0.005
  257    HB3  PRO  31           1HB      PRO  31   2.072   2.983  -1.478
  258    HG2  PRO  31           2HG      PRO  31  -0.542   4.210  -0.840
  259    HG3  PRO  31           1HG      PRO  31   0.289   4.055  -2.395
  260    HD2  PRO  31           2HD      PRO  31  -1.830   2.471  -1.501
  261    HD3  PRO  31           1HD      PRO  31  -0.745   2.096  -2.858
  262    H    ARG  32           H        ARG  32  -1.469   1.555   0.757
  263    HA   ARG  32           HA       ARG  32  -1.026   2.826   3.337
  264    HB2  ARG  32           2HB      ARG  32  -3.155   3.025   2.261
  265    HB3  ARG  32           1HB      ARG  32  -3.278   1.279   2.037
  266    HG2  ARG  32           2HG      ARG  32  -2.877   1.912   4.835
  267    HG3  ARG  32           1HG      ARG  32  -4.279   2.777   4.203
  268    HD2  ARG  32           2HD      ARG  32  -4.170   0.002   3.257
  269    HD3  ARG  32           1HD      ARG  32  -4.285   0.124   5.025
  270    HE   ARG  32           HE       ARG  32  -6.068   2.031   3.872
  271   HH11  ARG  32          1HH2      ARG  32  -5.601  -1.376   4.214
  272   HH12  ARG  32          2HH2      ARG  32  -7.294  -1.740   4.179
  273   HH21  ARG  32          1HH1      ARG  32  -8.276   1.567   3.828
  274   HH22  ARG  32          2HH1      ARG  32  -8.809  -0.075   3.959
  275    H    SER  33           H        SER  33  -2.400  -0.425   2.763
  276    HA   SER  33           HA       SER  33  -1.966  -1.549   5.258
  277    HB2  SER  33           2HB      SER  33  -2.129  -2.497   2.451
  278    HB3  SER  33           1HB      SER  33  -1.466  -3.655   3.606
  279    HG   SER  33           HG       SER  33  -3.366  -3.080   4.923
  280    H    CYS  34           H        CYS  34   0.319  -1.969   2.524
  281    HA   CYS  34           HA       CYS  34   2.440  -2.984   4.218
  282    HB2  CYS  34           2HB      CYS  34   2.630  -1.759   1.454
  283    HB3  CYS  34           1HB      CYS  34   3.677  -2.995   2.154
  284    H    ASP  35           H        ASP  35   1.303   0.174   3.493
  285    HA   ASP  35           HA       ASP  35   2.120   2.306   4.090
  286    HB2  ASP  35           2HB      ASP  35   3.919   0.584   5.829
  287    HB3  ASP  35           1HB      ASP  35   3.539   2.290   6.092
  288    H    PHE  36           H        PHE  36   3.161   1.599   1.674
  289    HA   PHE  36           HA       PHE  36   6.072   1.463   1.625
  290    HB2  PHE  36           2HB      PHE  36   3.846   1.974  -0.349
  291    HB3  PHE  36           1HB      PHE  36   5.531   2.211  -0.829
  292    HD1  PHE  36           2HD      PHE  36   7.113   0.353  -0.887
  293    HD2  PHE  36           1HD      PHE  36   2.993  -0.260   0.154
  294    HE1  PHE  36           2HE      PHE  36   7.395  -2.089  -1.218
  295    HE2  PHE  36           1HE      PHE  36   3.271  -2.700  -0.177
  296    HZ   PHE  36           HZ       PHE  36   5.471  -3.616  -0.864
  297    H    CYS  37           H        CYS  37   3.810   3.981   2.178
  298    HA   CYS  37           HA       CYS  37   5.855   6.060   1.482
  299    HB2  CYS  37           2HB      CYS  37   2.960   5.778   1.200
  300    HB3  CYS  37           1HB      CYS  37   3.395   7.282   2.017
  301    HXT  CYS  37           2H       CYS  37   4.143   6.143   5.245