*HEADER    TOXIN                                   15-DEC-11   2LMZ              
*TITLE     SOLUTION NMR STRUCTURE OF THE NOVEL CONOTOXIN IM23A FROM CONUS        
*TITLE    2 IMPERIALIS                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN IM17A;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;                               
*SOURCE   3 ORGANISM_TAXID: 35631;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PGEX-4T-1                                  
*KEYWDS    CONOTOXIN, NOVEL, HELIX, HAIRPIN, CONUS IMPERIALIS, TOXIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.K.KHOO, C.A.GALEA, N.BOONYALAI, R.S.NORTON                          
*REVDAT   1   14-MAR-12 2LMZ    0                                                


!Hbond
assign (resid   8 and name O) (resid  12 and name HN)   2.4 0.8 0.2
assign (resid   8 and name O) (resid  12 and name N )   3.3 0.8 0.2

assign (resid  11 and name O) (resid  15 and name HN)   2.4 0.8 0.2     
assign (resid  11 and name O) (resid  15 and name N )   3.3 0.8 0.2     

assign (resid  25 and name O) (resid  29 and name HN)   2.4 0.8 0.2  
assign (resid  25 and name O) (resid  29 and name N )   3.3 0.8 0.2     

assign (resid  27 and name O) (resid  31 and name HN)   2.4 0.8 0.2  
assign (resid  27 and name O) (resid  31 and name N )   3.3 0.8 0.2     


!Intra
assign (resid    1 and name   HA ) (resid    1 and name   HB ) 4.53 2.73 0.0  
assign (resid    1 and name   HA ) (resid    1 and name HD1# ) 5.43 3.63 0.0  
assign (resid    1 and name   HA ) (resid    1 and name HG13 ) 4.95 3.15 0.0  
assign (resid    1 and name   HA ) (resid    1 and name HG2# ) 3.88 2.08 0.0  
assign (resid    1 and name   HB ) (resid    1 and name HD1# ) 4.57 2.77 0.0  
assign (resid    1 and name   HB ) (resid    1 and name HG2# ) 3.49 1.69 0.0  
assign (resid    1 and name HG12 ) (resid    1 and name HG13 ) 3.34 1.54 0.0  
assign (resid    1 and name HG13 ) (resid    1 and name HD1# ) 3.83 2.03 0.0  
assign (resid    1 and name HG2# ) (resid    1 and name HG12 ) 4.78 2.98 0.0  
assign (resid    1 and name HG2# ) (resid    1 and name HG13 ) 4.08 2.28 0.0  
assign (resid    1 and name   HN ) (resid    1 and name   HA ) 3.65 1.85 0.0
assign (resid    1 and name   HN ) (resid    1 and name   HB ) 3.97 2.17 0.0  
assign (resid    1 and name   HN ) (resid    1 and name HD1# ) 5.43 3.63 0.0  
assign (resid    1 and name   HN ) (resid    1 and name HG12 ) 4.33 2.53 0.0  
assign (resid    1 and name   HN ) (resid    1 and name HG13 ) 4.44 2.64 0.0  
assign (resid    1 and name   HN ) (resid    1 and name HG2# ) 5.02 3.22 0.0  
assign (resid    2 and name   HA ) (resid    2 and name  HB1 ) 4.33 2.53 0.0  
assign (resid    2 and name   HA ) (resid    2 and name  HB2 ) 3.98 2.18 0.0  
assign (resid    2 and name   HA ) (resid    2 and name  HG1 ) 6.00 4.20 0.0  
assign (resid    2 and name   HA ) (resid    2 and name  HG2 ) 5.20 3.40 0.0  
assign (resid    2 and name  HB2 ) (resid    2 and name  HB1 ) 3.51 1.71 0.0  
assign (resid    2 and name  HD1 ) (resid    2 and name  HB1 ) 5.43 3.63 0.0  
assign (resid    2 and name  HD1 ) (resid    2 and name  HB2 ) 5.58 3.78 0.0  
assign (resid    2 and name  HD1 ) (resid    2 and name  HG1 ) 4.68 2.88 0.0  
assign (resid    2 and name  HD1 ) (resid    2 and name  HG2 ) 4.60 2.80 0.0  
assign (resid    2 and name  HD2 ) (resid    2 and name  HB2 ) 5.77 3.97 0.0  
assign (resid    2 and name  HD2 ) (resid    2 and name  HD1 ) 3.14 1.34 0.0  
assign (resid    2 and name  HD2 ) (resid    2 and name  HG1 ) 4.41 2.61 0.0  
assign (resid    2 and name  HD2 ) (resid    2 and name  HG2 ) 4.36 2.56 0.0  
assign (resid    2 and name  HG2 ) (resid    2 and name  HB1 ) 4.27 2.47 0.0  
assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 4.27 2.47 0.0  
assign (resid    3 and name   HA ) (resid    3 and name  HB2 ) 3.95 2.15 0.0  
assign (resid    3 and name   HA ) (resid    3 and name  HD# ) 3.92 2.12 0.0  
assign (resid    3 and name  HB1 ) (resid    3 and name  HD# ) 3.77 1.97 0.0  
assign (resid    3 and name  HB2 ) (resid    3 and name  HB1 ) 3.23 1.43 0.0  
assign (resid    3 and name  HB2 ) (resid    3 and name  HD# ) 3.76 1.96 0.0  
assign (resid    3 and name  HE# ) (resid    3 and name  HD# ) 3.16 1.36 0.0  
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 4.60 2.80 0.0  
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 4.06 2.26 0.0  
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 4.12 2.32 0.0  
assign (resid    3 and name   HN ) (resid    3 and name  HD# ) 5.20 3.40 0.0  
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 4.55 2.75 0.0
assign (resid    5 and name  HA1 ) (resid    5 and name  HA2 ) 3.55 1.75 0.0  
assign (resid    5 and name   HN ) (resid    5 and name  HA1 ) 5.20 3.40 0.0  
assign (resid    5 and name   HN ) (resid    5 and name  HA2 ) 4.78 2.98 0.0  
assign (resid    6 and name   HA ) (resid    6 and name  HB1 ) 4.25 2.45 0.0  
assign (resid    6 and name   HA ) (resid    6 and name  HB2 ) 4.00 2.20 0.0  
assign (resid    6 and name   HA ) (resid    6 and name  HG1 ) 4.53 2.73 0.0  
assign (resid    6 and name   HA ) (resid    6 and name  HG2 ) 4.68 2.88 0.0  
assign (resid    6 and name  HB1 ) (resid    6 and name  HG1 ) 4.31 2.51 0.0  
assign (resid    6 and name  HB1 ) (resid    6 and name  HG2 ) 4.38 2.58 0.0  
assign (resid    6 and name  HB2 ) (resid    6 and name  HB1 ) 3.09 1.29 0.0  
assign (resid    6 and name  HB2 ) (resid    6 and name  HG1 ) 3.75 1.95 0.0  
assign (resid    6 and name  HB2 ) (resid    6 and name  HG2 ) 4.23 2.43 0.0  
assign (resid    6 and name HE22 ) (resid    6 and name HE21 ) 2.90 1.10 0.0  
assign (resid    6 and name  HG1 ) (resid    6 and name HE21 ) 5.58 3.78 0.0  
assign (resid    6 and name   HN ) (resid    6 and name   HA ) 3.74 1.94 0.0  
assign (resid    6 and name   HN ) (resid    6 and name  HB1 ) 4.50 2.70 0.0   
assign (resid    6 and name   HN ) (resid    6 and name  HB2 ) 4.73 2.93 0.0  
assign (resid    6 and name   HN ) (resid    6 and name  HG1 ) 4.78 2.98 0.0  
assign (resid    6 and name   HN ) (resid    6 and name  HG2 ) 5.02 3.22 0.0  
assign (resid    7 and name   HA ) (resid    7 and name HG2# ) 3.95 2.15 0.0  
assign (resid    7 and name   HB ) (resid    7 and name HG2# ) 3.22 1.42 0.0  
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 4.95 3.15 0.0  
assign (resid    7 and name   HN ) (resid    7 and name   HB ) 6.00 4.20 0.0  
assign (resid    7 and name   HN ) (resid    7 and name HG2# ) 4.00 2.20 0.0  
assign (resid    8 and name  HA1 ) (resid    8 and name  HA2 ) 3.54 1.74 0.0  
assign (resid    8 and name   HN ) (resid    8 and name  HA1 ) 5.30 3.50 0.0  
assign (resid    8 and name   HN ) (resid    8 and name  HA2 ) 5.20 3.40 0.0  
assign (resid    9 and name   HA ) (resid    9 and name  HB# ) 3.38 1.58 0.0  
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 3.96 2.16 0.0  
assign (resid    9 and name   HN ) (resid    9 and name  HB# ) 3.38 1.58 0.0  
assign (resid   10 and name   HA ) (resid   10 and name  HB# ) 4.23 2.43 0.0  
assign (resid   10 and name   HA ) (resid   10 and name  HG1 ) 4.25 2.45 0.0  
assign (resid   10 and name   HA ) (resid   10 and name  HG2 ) 4.25 2.45 0.0  
assign (resid   10 and name  HB# ) (resid   10 and name  HG1 ) 3.42 1.62 0.0  
assign (resid   10 and name  HB# ) (resid   10 and name  HG2 ) 3.89 2.09 0.0  
assign (resid   10 and name  HG2 ) (resid   10 and name  HG1 ) 3.19 1.39 0.0  
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.86 2.06 0.0  
assign (resid   10 and name   HN ) (resid   10 and name  HB# ) 3.66 1.86 0.0  
assign (resid   10 and name   HN ) (resid   10 and name  HG1 ) 4.14 2.34 0.0  
assign (resid   10 and name   HN ) (resid   10 and name  HG2 ) 3.65 1.85 0.0  
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 5.20 3.40 0.0  
assign (resid   11 and name   HN ) (resid   11 and name  HB1 ) 4.33 2.53 0.0  
assign (resid   11 and name   HN ) (resid   11 and name  HB2 ) 4.14 2.34 0.0  
assign (resid   12 and name   HA ) (resid   12 and name  HB1 ) 4.06 2.26 0.0  
assign (resid   12 and name   HA ) (resid   12 and name  HB2 ) 4.57 2.77 0.0  
assign (resid   12 and name   HA ) (resid   12 and name  HD# ) 3.89 2.09 0.0  
assign (resid   12 and name  HB1 ) (resid   12 and name  HD# ) 3.76 1.96 0.0  
assign (resid   12 and name  HB2 ) (resid   12 and name  HB1 ) 3.26 1.46 0.0  
assign (resid   12 and name  HB2 ) (resid   12 and name  HD# ) 3.71 1.91 0.0  
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 4.19 2.39 0.0  
assign (resid   12 and name   HN ) (resid   12 and name  HB1 ) 3.83 2.03 0.0  
assign (resid   12 and name   HN ) (resid   12 and name  HB2 ) 3.84 2.04 0.0  
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.47 1.67 0.0  
assign (resid   13 and name   HN ) (resid   13 and name  HB# ) 4.47 2.67 0.0  
assign (resid   14 and name   HA ) (resid   14 and name  HB1 ) 3.89 2.09 0.0  
assign (resid   14 and name   HA ) (resid   14 and name  HB2 ) 4.95 3.15 0.0  
assign (resid   14 and name  HB1 ) (resid   14 and name  HD1 ) 3.92 2.12 0.0  
assign (resid   14 and name  HB1 ) (resid   14 and name  HE3 ) 4.73 2.93 0.0  
assign (resid   14 and name  HB2 ) (resid   14 and name  HB1 ) 3.26 1.46 0.0  
assign (resid   14 and name  HB2 ) (resid   14 and name  HD1 ) 4.78 2.98 0.0  
assign (resid   14 and name  HB2 ) (resid   14 and name  HE3 ) 4.19 2.39 0.0  
assign (resid   14 and name   HN ) (resid   14 and name   HA ) 3.60 1.80 0.0  
assign (resid   14 and name   HN ) (resid   14 and name  HB1 ) 3.67 1.87 0.0 
assign (resid   14 and name   HN ) (resid   14 and name  HB2 ) 3.72 1.92 0.0 
assign (resid   15 and name   HN ) (resid   15 and name   HA ) 3.69 1.89 0.0   
assign (resid   15 and name   HN ) (resid   15 and name  HB# ) 4.05 2.25 0.0   
assign (resid   15 and name   HA ) (resid   15 and name  HB# ) 3.23 1.43 0.0   
assign (resid   16 and name   HA ) (resid   16 and name   HB ) 4.06 2.26 0.0   
assign (resid   16 and name   HA ) (resid   16 and name HD1# ) 3.44 1.64 0.0   
assign (resid   16 and name   HA ) (resid   16 and name HG2# ) 3.65 1.85 0.0   
assign (resid   16 and name   HA ) (resid   16 and name HG1# ) 4.36 2.56 0.0   
assign (resid   16 and name   HB ) (resid   16 and name HD1# ) 3.91 2.11 0.0   
assign (resid   16 and name   HB ) (resid   16 and name HG2# ) 3.47 1.67 0.0   
assign (resid   16 and name   HB ) (resid   16 and name HG1# ) 3.69 1.89 0.0   
assign (resid   16 and name HG2# ) (resid   16 and name HG1# ) 3.59 1.79 0.0   
assign (resid   16 and name   HN ) (resid   16 and name   HA ) 3.94 2.14 0.0   
assign (resid   16 and name   HN ) (resid   16 and name   HB ) 3.53 1.73 0.0   
assign (resid   16 and name   HN ) (resid   16 and name HD1# ) 4.38 2.58 0.0   
assign (resid   16 and name   HN ) (resid   16 and name HG1# ) 3.38 1.58 0.0   
assign (resid   16 and name HG1# ) (resid   16 and name HD1# ) 3.24 1.44 0.0   
assign (resid   17 and name   HA ) (resid   17 and name  HB# ) 3.71 1.91 0.0   
assign (resid   17 and name  HB# ) (resid   17 and name  HG1 ) 4.25 2.45 0.0   
assign (resid   17 and name   HN ) (resid   17 and name   HA ) 3.85 2.05 0.0   
assign (resid   17 and name   HN ) (resid   17 and name  HB# ) 3.64 1.84 0.0   
assign (resid   17 and name   HN ) (resid   17 and name  HD# ) 4.95 3.15 0.0   
assign (resid   17 and name   HN ) (resid   17 and name  HG1 ) 4.89 3.09 0.0   
assign (resid   17 and name   HN ) (resid   17 and name  HG2 ) 4.41 2.61 0.0   
assign (resid   18 and name   HA ) (resid   18 and name  HB1 ) 4.17 2.37 0.0   
assign (resid   18 and name   HA ) (resid   18 and name  HB2 ) 4.38 2.58 0.0   
assign (resid   18 and name   HA ) (resid   18 and name  HG1 ) 5.20 3.40 0.0   
assign (resid   18 and name   HA ) (resid   18 and name  HG2 ) 4.08 2.28 0.0   
assign (resid   18 and name  HB1 ) (resid   18 and name  HG1 ) 3.37 1.57 0.0   
assign (resid   18 and name  HB1 ) (resid   18 and name  HG2 ) 4.01 2.21 0.0   
assign (resid   18 and name  HB2 ) (resid   18 and name  HG2 ) 3.38 1.58 0.0   
assign (resid   18 and name  HG2 ) (resid   18 and name  HG1 ) 4.53 2.73 0.0   
assign (resid   18 and name   HN ) (resid   18 and name   HA ) 4.05 2.25 0.0   
assign (resid   18 and name   HN ) (resid   18 and name  HB1 ) 4.01 2.21 0.0   
assign (resid   18 and name   HN ) (resid   18 and name  HB2 ) 3.89 2.09 0.0   
assign (resid   18 and name   HN ) (resid   18 and name  HG1 ) 4.29 2.49 0.0   
assign (resid   18 and name   HN ) (resid   18 and name  HG2 ) 4.33 2.53 0.0   
assign (resid   19 and name   HA ) (resid   19 and name  HB1 ) 3.52 1.72 0.0   
assign (resid   19 and name   HA ) (resid   19 and name  HB2 ) 4.53 2.73 0.0   
assign (resid   19 and name  HB2 ) (resid   19 and name  HB1 ) 3.38 1.58 0.0   
assign (resid   19 and name   HN ) (resid   19 and name   HA ) 3.15 1.35 0.0   
assign (resid   19 and name   HN ) (resid   19 and name  HB1 ) 4.38 2.58 0.0   
assign (resid   19 and name   HN ) (resid   19 and name  HB2 ) 4.60 2.80 0.0   
assign (resid   20 and name   HA ) (resid   20 and name  HB# ) 4.95 3.15 0.0   
assign (resid   20 and name   HA ) (resid   20 and name HD1# ) 4.78 2.98 0.0   
assign (resid   20 and name   HA ) (resid   20 and name HD2# ) 4.01 2.21 0.0   
assign (resid   20 and name  HB# ) (resid   20 and name HD1# ) 3.86 2.06 0.0   
assign (resid   20 and name  HB# ) (resid   20 and name HD2# ) 4.31 2.51 0.0   
assign (resid   20 and name  HB# ) (resid   20 and name   HG ) 3.16 1.36 0.0   
assign (resid   20 and name HD1# ) (resid   20 and name HD2# ) 3.41 1.61 0.0   
assign (resid   20 and name   HG ) (resid   20 and name HD1# ) 3.52 1.72 0.0   
assign (resid   20 and name   HG ) (resid   20 and name HD2# ) 3.44 1.64 0.0   
assign (resid   20 and name   HN ) (resid   20 and name   HA ) 4.09 2.29 0.0   
assign (resid   20 and name   HN ) (resid   20 and name  HB# ) 4.11 2.31 0.0   
assign (resid   20 and name   HN ) (resid   20 and name HD1# ) 5.02 3.22 0.0   
assign (resid   20 and name   HN ) (resid   20 and name HD2# ) 5.20 3.40 0.0   
assign (resid   20 and name   HN ) (resid   20 and name   HG ) 4.58 2.78 0.0 
assign (resid   20 and name   HA ) (resid   20 and name   HG ) 4.17 2.37 0.0 
assign (resid   21 and name   HA ) (resid   21 and name  HB# ) 3.01 1.21 0.0   
assign (resid   21 and name   HN ) (resid   21 and name  HB# ) 3.63 1.83 0.0   
assign (resid   21 and name   HN ) (resid   21 and name   HA ) 3.64 1.84 0.0 
assign (resid   22 and name   HA ) (resid   22 and name  HB1 ) 4.27 2.47 0.0   
assign (resid   22 and name   HA ) (resid   22 and name  HB2 ) 3.94 2.14 0.0   
assign (resid   22 and name   HA ) (resid   22 and name  HD# ) 4.02 2.22 0.0   
assign (resid   22 and name   HA ) (resid   22 and name  HG# ) 4.23 2.43 0.0   
assign (resid   22 and name  HG# ) (resid   22 and name  HD# ) 3.30 1.50 0.0   
assign (resid   22 and name   HN ) (resid   22 and name   HA ) 3.71 1.91 0.0   
assign (resid   22 and name   HN ) (resid   22 and name  HB1 ) 3.89 2.09 0.0   
assign (resid   22 and name   HN ) (resid   22 and name  HB2 ) 3.86 2.06 0.0   
assign (resid   22 and name   HN ) (resid   22 and name  HD# ) 4.68 2.88 0.0   
assign (resid   22 and name   HN ) (resid   22 and name  HG# ) 4.55 2.75 0.0 
assign (resid   23 and name   HA ) (resid   23 and name  HB1 ) 4.19 2.39 0.0   
assign (resid   23 and name   HA ) (resid   23 and name  HB2 ) 4.36 2.56 0.0   
assign (resid   23 and name   HN ) (resid   23 and name   HA ) 3.85 2.05 0.0   
assign (resid   23 and name   HN ) (resid   23 and name  HB1 ) 3.71 1.91 0.0   
assign (resid   23 and name   HN ) (resid   23 and name  HB2 ) 4.14 2.34 0.0   
assign (resid   24 and name   HA ) (resid   24 and name  HB1 ) 4.31 2.51 0.0   
assign (resid   24 and name   HA ) (resid   24 and name  HB2 ) 4.68 2.88 0.0   
assign (resid   24 and name  HB1 ) (resid   24 and name  HD1 ) 4.58 2.78 0.0   
assign (resid   24 and name  HB1 ) (resid   24 and name  HE3 ) 4.50 2.70 0.0   
assign (resid   24 and name  HB2 ) (resid   24 and name  HB1 ) 3.17 1.37 0.0   
assign (resid   24 and name  HB2 ) (resid   24 and name  HD1 ) 4.38 2.58 0.0   
assign (resid   24 and name  HB2 ) (resid   24 and name  HE3 ) 4.83 3.03 0.0   
assign (resid   24 and name   HN ) (resid   24 and name   HA ) 3.81 2.01 0.0   
assign (resid   24 and name   HN ) (resid   24 and name  HB1 ) 3.72 1.92 0.0   
assign (resid   24 and name   HN ) (resid   24 and name  HB2 ) 3.82 2.02 0.0   
assign (resid   25 and name   HA ) (resid   25 and name  HB1 ) 4.50 2.70 0.0  
assign (resid   25 and name   HA ) (resid   25 and name  HB2 ) 6.00 4.20 0.0  
assign (resid   25 and name  HB2 ) (resid   25 and name  HB1 ) 3.20 1.40 0.0  
assign (resid   25 and name   HN ) (resid   25 and name   HA ) 4.33 2.53 0.0  
assign (resid   25 and name   HN ) (resid   25 and name  HB1 ) 4.25 2.45 0.0  
assign (resid   25 and name   HN ) (resid   25 and name  HB2 ) 4.10 2.30 0.0  
assign (resid   26 and name   HA ) (resid   26 and name  HB1 ) 4.25 2.45 0.0  
assign (resid   26 and name   HA ) (resid   26 and name  HB2 ) 4.17 2.37 0.0  
assign (resid   26 and name   HN ) (resid   26 and name   HA ) 4.12 2.32 0.0  
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assign (resid   26 and name   HN ) (resid   26 and name  HB2 ) 3.77 1.97 0.0  
assign (resid   27 and name   HA ) (resid   27 and name  HB1 ) 3.95 2.15 0.0  
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assign (resid   27 and name   HN ) (resid   27 and name   HA ) 4.05 2.25 0.0  
assign (resid   27 and name   HN ) (resid   27 and name  HB1 ) 4.14 2.34 0.0  
assign (resid   27 and name   HN ) (resid   27 and name  HB2 ) 3.71 1.91 0.0  
assign (resid   28 and name   HA ) (resid   28 and name  HB1 ) 4.47 2.67 0.0  
assign (resid   28 and name   HA ) (resid   28 and name  HB2 ) 4.78 2.98 0.0  
assign (resid   28 and name   HA ) (resid   28 and name  HD# ) 3.92 2.12 0.0  
assign (resid   28 and name  HB1 ) (resid   28 and name  HD# ) 4.09 2.29 0.0  
assign (resid   28 and name  HB2 ) (resid   28 and name  HB1 ) 3.77 1.97 0.0  
assign (resid   28 and name  HB2 ) (resid   28 and name  HD# ) 3.85 2.05 0.0  
assign (resid   28 and name   HN ) (resid   28 and name   HA ) 4.03 2.23 0.0  
assign (resid   28 and name   HN ) (resid   28 and name  HB1 ) 3.79 1.99 0.0  
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assign (resid   28 and name   HN ) (resid   28 and name  HD# ) 4.70 2.90 0.0  
assign (resid   29 and name   HA ) (resid   29 and name   HB ) 4.64 2.84 0.0  
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assign (resid   29 and name   HA ) (resid   29 and name HG1# ) 3.78 1.98 0.0  
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assign (resid   29 and name   HB ) (resid   29 and name HG1# ) 3.70 1.90 0.0  
assign (resid   29 and name   HN ) (resid   29 and name   HA ) 4.27 2.47 0.0  
assign (resid   29 and name   HN ) (resid   29 and name   HB ) 3.87 2.07 0.0  
assign (resid   29 and name   HN ) (resid   29 and name HG2# ) 4.78 2.98 0.0  
assign (resid   29 and name   HN ) (resid   29 and name HG1# ) 3.70 1.90 0.0  
assign (resid   29 and name HG1# ) (resid   29 and name HG2# ) 3.49 1.69 0.0  
assign (resid   30 and name   HA ) (resid   30 and name  HB# ) 3.77 1.97 0.0  
assign (resid   30 and name   HA ) (resid   30 and name  HD1 ) 5.02 3.22 0.0  
assign (resid   30 and name   HA ) (resid   30 and name  HD2 ) 5.58 3.78 0.0  
assign (resid   30 and name   HA ) (resid   30 and name  HG# ) 4.38 2.58 0.0  
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assign (resid   30 and name  HD2 ) (resid   30 and name  HE2 ) 4.38 2.58 0.0  
assign (resid   30 and name  HD2 ) (resid   30 and name  HE3 ) 4.64 2.84 0.0  
assign (resid   30 and name  HG# ) (resid   30 and name  HE2 ) 4.95 3.15 0.0  
assign (resid   30 and name   HN ) (resid   30 and name   HA ) 4.17 2.37 0.0  
assign (resid   30 and name   HN ) (resid   30 and name  HB# ) 3.75 1.95 0.0  
assign (resid   30 and name   HN ) (resid   30 and name  HD1 ) 4.21 2.41 0.0  
assign (resid   30 and name   HN ) (resid   30 and name  HG# ) 5.10 3.30 0.0  
assign (resid   31 and name   HA ) (resid   31 and name  HB1 ) 4.06 2.26 0.0  
assign (resid   31 and name   HA ) (resid   31 and name  HB2 ) 4.19 2.39 0.0  
assign (resid   31 and name   HN ) (resid   31 and name   HA ) 3.88 2.08 0.0  
assign (resid   31 and name   HN ) (resid   31 and name  HB1 ) 4.01 2.21 0.0  
assign (resid   31 and name   HN ) (resid   31 and name  HB2 ) 3.55 1.75 0.0  
assign (resid   32 and name   HA ) (resid   32 and name   HB ) 3.67 1.87 0.0  
assign (resid   32 and name   HA ) (resid   32 and name HG2# ) 3.56 1.76 0.0  
assign (resid   32 and name   HB ) (resid   32 and name HD1# ) 3.95 2.15 0.0  
assign (resid   32 and name   HB ) (resid   32 and name HG12 ) 4.36 2.56 0.0  
assign (resid   32 and name   HB ) (resid   32 and name HG13 ) 4.21 2.41 0.0  
assign (resid   32 and name   HB ) (resid   32 and name HG2# ) 3.64 1.84 0.0  
assign (resid   32 and name HG12 ) (resid   32 and name HD1# ) 3.96 2.16 0.0  
assign (resid   32 and name HG12 ) (resid   32 and name HG13 ) 3.37 1.57 0.0  
assign (resid   32 and name HG13 ) (resid   32 and name HD1# ) 3.88 2.08 0.0  
assign (resid   32 and name HG2# ) (resid   32 and name HD1# ) 3.55 1.75 0.0  
assign (resid   32 and name HG2# ) (resid   32 and name HG12 ) 4.03 2.23 0.0  
assign (resid   32 and name HG2# ) (resid   32 and name HG13 ) 4.14 2.34 0.0  
assign (resid   32 and name   HN ) (resid   32 and name   HA ) 4.41 2.61 0.0  
assign (resid   32 and name   HN ) (resid   32 and name   HB ) 5.10 3.30 0.0  
assign (resid   32 and name   HN ) (resid   32 and name HD1# ) 5.02 3.22 0.0  
assign (resid   32 and name   HN ) (resid   32 and name HG13 ) 4.36 2.56 0.0  
assign (resid   32 and name   HN ) (resid   32 and name HG2# ) 4.01 2.21 0.0  
assign (resid   32 and name   HN ) (resid   32 and name HG12 ) 4.28 2.48 0.0 
assign (resid   32 and name   HA ) (resid   32 and name HG12 ) 4.59 2.79 0.0 
assign (resid   33 and name   HA ) (resid   33 and name  HB1 ) 3.80 2.00 0.0  
assign (resid   33 and name   HA ) (resid   33 and name  HB2 ) 4.21 2.41 0.0  
assign (resid   33 and name   HA ) (resid   33 and name  HD# ) 6.00 4.20 0.0  
assign (resid   33 and name   HA ) (resid   33 and name  HG# ) 4.36 2.56 0.0  
assign (resid   33 and name  HB1 ) (resid   33 and name  HD# ) 5.58 3.78 0.0  
assign (resid   33 and name  HB1 ) (resid   33 and name  HG# ) 3.94 2.14 0.0  
assign (resid   33 and name  HB2 ) (resid   33 and name  HD# ) 6.00 4.20 0.0  
assign (resid   33 and name  HB2 ) (resid   33 and name  HG# ) 4.19 2.39 0.0  
assign (resid   33 and name  HG# ) (resid   33 and name  HD# ) 4.73 2.93 0.0  
assign (resid   33 and name   HN ) (resid   33 and name   HA ) 3.50 1.70 0.0  
assign (resid   33 and name   HN ) (resid   33 and name  HB1 ) 4.73 2.93 0.0  
assign (resid   33 and name   HN ) (resid   33 and name  HB2 ) 5.02 3.22 0.0  
assign (resid   33 and name   HN ) (resid   33 and name  HG# ) 4.50 2.70 0.0  
assign (resid   34 and name   HA ) (resid   34 and name  HB# ) 4.21 2.41 0.0  
assign (resid   34 and name   HA ) (resid   34 and name  HG1 ) 4.31 2.51 0.0  
assign (resid   34 and name   HA ) (resid   34 and name  HG2 ) 4.01 2.21 0.0  
assign (resid   34 and name  HB# ) (resid   34 and name  HG1 ) 4.41 2.61 0.0  
assign (resid   34 and name  HB# ) (resid   34 and name  HG2 ) 4.36 2.56 0.0  
assign (resid   34 and name  HG2 ) (resid   34 and name  HG1 ) 3.05 1.25 0.0  
assign (resid   34 and name   HN ) (resid   34 and name   HA ) 4.21 2.41 0.0  
assign (resid   34 and name   HN ) (resid   34 and name  HB# ) 4.01 2.21 0.0  
assign (resid   34 and name   HN ) (resid   34 and name  HG1 ) 4.53 2.73 0.0  
assign (resid   34 and name   HN ) (resid   34 and name  HG2 ) 4.95 3.15 0.0  
assign (resid   34 and name  HG2 ) (resid   34 and name  HE# ) 4.01 2.21 0.0 
assign (resid   34 and name  HG1 ) (resid   34 and name  HE# ) 3.78 1.98 0.0 
assign (resid   35 and name   HA ) (resid   35 and name  HB# ) 4.21 2.41 0.0  
assign (resid   35 and name  HB# ) (resid   35 and name HD21 ) 4.73 2.93 0.0  
assign (resid   35 and name  HB# ) (resid   35 and name HD22 ) 5.02 3.22 0.0  
assign (resid   35 and name HD22 ) (resid   35 and name HD21 ) 2.94 1.14 0.0  
assign (resid   35 and name   HN ) (resid   35 and name   HA ) 4.47 2.67 0.0  
assign (resid   35 and name   HN ) (resid   35 and name  HB# ) 4.08 2.28 0.0  
assign (resid   36 and name  HD# ) (resid   36 and name  HB# ) 4.06 2.26 0.0  
assign (resid   36 and name  HD# ) (resid   36 and name  HG# ) 4.21 2.41 0.0  
assign (resid   37 and name   HA ) (resid   37 and name  HB# ) 3.83 2.03 0.0  
assign (resid   37 and name   HA ) (resid   37 and name  HG# ) 4.35 2.55 0.0  
assign (resid   37 and name  HB# ) (resid   37 and name  HG# ) 3.14 1.34 0.0  
assign (resid   37 and name  HD1 ) (resid   37 and name  HG# ) 3.87 2.07 0.0  
assign (resid   37 and name  HD2 ) (resid   37 and name  HB# ) 5.30 3.50 0.0  
assign (resid   37 and name  HD2 ) (resid   37 and name  HD1 ) 3.22 1.42 0.0  
assign (resid   37 and name  HD2 ) (resid   37 and name  HG# ) 3.88 2.08 0.0  
assign (resid   38 and name   HA ) (resid   38 and name  HB# ) 3.37 1.57 0.0  
assign (resid   38 and name   HN ) (resid   38 and name   HA ) 4.00 2.20 0.0  
assign (resid   38 and name   HN ) (resid   38 and name  HB# ) 3.41 1.61 0.0  
assign (resid   39 and name   HA ) (resid   39 and name  HB# ) 3.42 1.62 0.0  
assign (resid   39 and name   HN ) (resid   39 and name   HA ) 3.69 1.89 0.0  
assign (resid   39 and name   HN ) (resid   39 and name  HB# ) 3.98 2.18 0.0  
assign (resid   40 and name   HA ) (resid   40 and name  HB# ) 4.02 2.22 0.0  
assign (resid   40 and name   HA ) (resid   40 and name  HD1 ) 4.50 2.70 0.0  
assign (resid   40 and name   HA ) (resid   40 and name  HD2 ) 4.31 2.51 0.0  
assign (resid   40 and name   HA ) (resid   40 and name  HG1 ) 5.30 3.50 0.0  
assign (resid   40 and name   HA ) (resid   40 and name  HG2 ) 4.11 2.31 0.0  
assign (resid   40 and name  HB# ) (resid   40 and name  HE2 ) 5.10 3.30 0.0  
assign (resid   40 and name  HB# ) (resid   40 and name  HE3 ) 4.83 3.03 0.0  
assign (resid   40 and name  HB# ) (resid   40 and name  HG1 ) 3.96 2.16 0.0  
assign (resid   40 and name  HB# ) (resid   40 and name  HG2 ) 3.22 1.42 0.0  
assign (resid   40 and name  HD1 ) (resid   40 and name  HE2 ) 4.83 3.03 0.0  
assign (resid   40 and name  HD1 ) (resid   40 and name  HE3 ) 4.57 2.77 0.0  
assign (resid   40 and name  HD2 ) (resid   40 and name  HE3 ) 4.41 2.61 0.0  
assign (resid   40 and name  HG1 ) (resid   40 and name  HE2 ) 5.10 3.30 0.0  
assign (resid   40 and name  HG1 ) (resid   40 and name  HE3 ) 5.30 3.50 0.0  
assign (resid   40 and name  HG2 ) (resid   40 and name  HD1 ) 3.97 2.17 0.0  
assign (resid   40 and name   HN ) (resid   40 and name   HA ) 4.15 2.35 0.0  
assign (resid   40 and name   HN ) (resid   40 and name  HB# ) 3.64 1.84 0.0  
assign (resid   40 and name   HN ) (resid   40 and name  HD2 ) 5.30 3.50 0.0  
assign (resid   40 and name   HN ) (resid   40 and name  HG1 ) 5.02 3.22 0.0  
assign (resid   41 and name   HA ) (resid   41 and name  HB1 ) 4.64 2.84 0.0  
assign (resid   41 and name   HA ) (resid   41 and name  HB2 ) 4.11 2.31 0.0  
assign (resid   41 and name  HB2 ) (resid   41 and name  HB1 ) 3.25 1.45 0.0  
assign (resid   41 and name   HN ) (resid   41 and name   HA ) 4.09 2.29 0.0  
assign (resid   41 and name   HN ) (resid   41 and name  HB1 ) 3.96 2.16 0.0  
assign (resid   41 and name   HN ) (resid   41 and name  HB2 ) 4.41 2.61 0.0  
assign (resid   42 and name   HA ) (resid   42 and name  HB# ) 3.83 2.03 0.0  
assign (resid   42 and name  HB# ) (resid   42 and name  HG# ) 3.58 1.78 0.0  
assign (resid   42 and name  HD1 ) (resid   42 and name  HB# ) 4.64 2.84 0.0  
assign (resid   42 and name  HD1 ) (resid   42 and name  HG# ) 3.93 2.13 0.0  
assign (resid   42 and name  HD2 ) (resid   42 and name  HB# ) 5.43 3.63 0.0  
assign (resid   42 and name  HD2 ) (resid   42 and name  HD1 ) 3.04 1.24 0.0  
assign (resid   42 and name  HD2 ) (resid   42 and name  HG# ) 3.70 1.90 0.0  


!Sequential
assign (resid    1 and name   HA ) (resid    2 and name  HD1 ) 3.84 2.04 0.0  
assign (resid    1 and name   HA ) (resid    2 and name  HD2 ) 3.52 1.72 0.0  
assign (resid    1 and name   HB ) (resid    2 and name  HD1 ) 4.89 3.09 0.0  
assign (resid    1 and name   HB ) (resid    2 and name  HD2 ) 5.30 3.50 0.0  
assign (resid    1 and name HG2# ) (resid    2 and name  HD1 ) 4.27 2.47 0.0  
assign (resid    1 and name HG2# ) (resid    2 and name  HD2 ) 5.58 3.78 0.0  
assign (resid    2 and name   HA ) (resid    3 and name   HN ) 3.04 1.24 0.0
assign (resid    2 and name  HB1 ) (resid    3 and name   HN ) 4.95 3.15 0.0  
assign (resid    2 and name  HB2 ) (resid    3 and name   HN ) 5.02 3.22 0.0  
assign (resid    3 and name   HA ) (resid    4 and name   HN ) 3.37 1.57 0.0
assign (resid    4 and name   HN ) (resid    5 and name   HN ) 3.98 2.18 0.0
assign (resid    5 and name  HA2 ) (resid    6 and name   HN ) 4.00 2.20 0.0  
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 4.12 2.32 0.0  
assign (resid    6 and name  HB1 ) (resid    7 and name HG2# ) 4.29 2.49 0.0  
assign (resid    6 and name  HB1 ) (resid    7 and name   HN ) 4.68 2.88 0.0  
assign (resid    6 and name  HB2 ) (resid    7 and name HG2# ) 4.41 2.61 0.0  
assign (resid    6 and name  HB2 ) (resid    7 and name   HN ) 5.43 3.63 0.0  
assign (resid    6 and name   HN ) (resid    7 and name   HN ) 3.26 1.46 0.0
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 4.70 2.90 0.0
assign (resid    7 and name   HB ) (resid    8 and name   HN ) 4.39 2.59 0.0
assign (resid    8 and name  HA1 ) (resid    9 and name   HN ) 4.14 2.34 0.0
assign (resid    8 and name  HA2 ) (resid    9 and name   HN ) 4.39 2.59 0.0
assign (resid    8 and name   HN ) (resid    9 and name   HN ) 4.70 2.90 0.0
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 4.12 2.32 0.0  
assign (resid    9 and name  HB# ) (resid   10 and name   HN ) 3.77 1.97 0.0  
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 3.94 2.14 0.0  
assign (resid    9 and name  HB# ) (resid   10 and name  HG2 ) 5.00 3.20 0.0 
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 4.33 2.53 0.0
assign (resid   10 and name  HB# ) (resid   11 and name   HN ) 4.25 2.45 0.0  
assign (resid   10 and name  HG1 ) (resid   11 and name   HN ) 4.83 3.03 0.0  
assign (resid   10 and name  HG2 ) (resid   11 and name   HN ) 5.10 3.30 0.0  
assign (resid   10 and name   HN ) (resid   11 and name   HN ) 3.86 2.06 0.0  
assign (resid   11 and name  HB1 ) (resid   12 and name   HN ) 4.57 2.77 0.0  
assign (resid   11 and name  HB2 ) (resid   12 and name   HN ) 5.02 3.22 0.0  
assign (resid   11 and name   HN ) (resid   12 and name   HN ) 3.73 1.93 0.0
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 4.00 2.20 0.0
assign (resid   12 and name  HB1 ) (resid   13 and name   HN ) 4.50 2.70 0.0  
assign (resid   12 and name  HB2 ) (resid   13 and name   HN ) 3.94 2.14 0.0  
assign (resid   12 and name  HD# ) (resid   13 and name   HA ) 4.53 2.73 0.0  
assign (resid   12 and name  HD# ) (resid   13 and name   HN ) 4.47 2.67 0.0  
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 3.61 1.81 0.0
assign (resid   13 and name   HA ) (resid   14 and name   HN ) 3.58 1.78 0.0  
assign (resid   13 and name   HN ) (resid   14 and name   HN ) 3.34 1.54 0.0
assign (resid   14 and name   HA ) (resid   15 and name   HN ) 4.57 2.77 0.0  
assign (resid   14 and name  HB1 ) (resid   15 and name   HN ) 4.68 2.88 0.0  
assign (resid   14 and name  HB2 ) (resid   15 and name   HN ) 4.41 2.61 0.0  
assign (resid   14 and name  HE3 ) (resid   15 and name   HA ) 3.85 2.05 0.0  
assign (resid   14 and name  HE3 ) (resid   15 and name  HB# ) 3.97 2.17 0.0  
assign (resid   14 and name  HE3 ) (resid   15 and name   HN ) 4.29 2.49 0.0  
assign (resid   14 and name   HN ) (resid   15 and name   HN ) 3.64 1.84 0.0
assign (resid   14 and name  HZ3 ) (resid   15 and name   HA ) 4.95 3.15 0.0  
assign (resid   14 and name  HZ3 ) (resid   15 and name  HB# ) 5.30 3.50 0.0  
assign (resid   15 and name   HA ) (resid   16 and name   HN ) 3.54 1.74 0.0 
assign (resid   15 and name  HB# ) (resid   16 and name   HN ) 4.78 2.98 0.0  
assign (resid   15 and name   HN ) (resid   16 and name   HN ) 3.52 1.72 0.0
assign (resid   16 and name   HA ) (resid   17 and name   HN ) 4.70 2.90 0.0
assign (resid   16 and name   HB ) (resid   17 and name   HN ) 3.73 1.93 0.0
assign (resid   16 and name HG2# ) (resid   17 and name   HN ) 4.53 2.73 0.0  
assign (resid   16 and name   HN ) (resid   17 and name   HN ) 3.38 1.58 0.0
assign (resid   16 and name HG1# ) (resid   17 and name   HN ) 4.38 2.58 0.0  
assign (resid   17 and name   HA ) (resid   18 and name   HN ) 3.94 2.14 0.0
assign (resid   17 and name  HB# ) (resid   18 and name   HN ) 4.53 2.73 0.0  
assign (resid   17 and name   HN ) (resid   18 and name   HN ) 3.42 1.62 0.0
assign (resid   18 and name   HA ) (resid   19 and name   HN ) 3.67 1.87 0.0
assign (resid   18 and name  HB2 ) (resid   19 and name   HN ) 4.60 2.80 0.0  
assign (resid   18 and name  HG2 ) (resid   19 and name   HN ) 4.78 2.98 0.0  
assign (resid   18 and name   HN ) (resid   19 and name   HN ) 3.15 1.35 0.0
assign (resid   19 and name   HA ) (resid   20 and name   HN ) 4.06 2.26 0.0  
assign (resid   19 and name   HN ) (resid   20 and name   HN ) 3.36 1.56 0.0
assign (resid   20 and name  HB# ) (resid   21 and name   HN ) 4.60 2.80 0.0  
assign (resid   20 and name HD1# ) (resid   21 and name   HN ) 5.30 3.50 0.0  
assign (resid   20 and name HD2# ) (resid   21 and name   HN ) 4.36 2.56 0.0  
assign (resid   20 and name   HG ) (resid   21 and name   HN ) 3.89 2.09 0.0 
assign (resid   20 and name   HA ) (resid   21 and name   HN ) 3.69 1.89 0.0 
assign (resid   21 and name   HA ) (resid   22 and name   HN ) 3.14 1.34 0.0  
assign (resid   22 and name  HB2 ) (resid   23 and name   HN ) 4.36 2.56 0.0  
assign (resid   22 and name  HD# ) (resid   23 and name   HN ) 5.10 3.30 0.0  
assign (resid   22 and name  HG# ) (resid   23 and name   HN ) 4.73 2.93 0.0  
assign (resid   22 and name   HN ) (resid   23 and name   HN ) 4.50 2.70 0.0 
assign (resid   22 and name  HB1 ) (resid   23 and name   HN ) 4.34 2.54 0.0 
assign (resid   23 and name   HA ) (resid   24 and name   HN ) 4.39 2.59 0.0
assign (resid   23 and name  HB1 ) (resid   24 and name   HN ) 4.19 2.39 0.0  
assign (resid   23 and name  HB2 ) (resid   24 and name   HN ) 4.68 2.88 0.0  
assign (resid   23 and name   HN ) (resid   24 and name   HN ) 3.26 1.46 0.0
assign (resid   24 and name   HA ) (resid   25 and name   HN ) 4.33 2.53 0.0
assign (resid   24 and name  HB1 ) (resid   25 and name   HN ) 4.47 2.67 0.0  
assign (resid   24 and name  HB2 ) (resid   25 and name   HN ) 4.01 2.21 0.0  
assign (resid   24 and name  HE3 ) (resid   25 and name   HA ) 5.00 3.20 0.0  
assign (resid   24 and name  HE3 ) (resid   25 and name   HN ) 4.68 2.88 0.0  
assign (resid   24 and name   HN ) (resid   25 and name   HN ) 3.32 1.52 0.0
assign (resid   25 and name   HA ) (resid   26 and name   HN ) 4.52 2.72 0.0
assign (resid   25 and name  HB1 ) (resid   26 and name   HN ) 4.78 2.98 0.0  
assign (resid   25 and name  HB2 ) (resid   26 and name   HN ) 4.50 2.70 0.0  
assign (resid   25 and name   HN ) (resid   26 and name   HN ) 3.52 1.72 0.0
assign (resid   26 and name   HA ) (resid   27 and name   HN ) 4.70 2.90 0.0
assign (resid   26 and name  HB1 ) (resid   27 and name   HN ) 4.29 2.49 0.0  
assign (resid   26 and name  HB2 ) (resid   27 and name   HN ) 4.05 2.25 0.0  
assign (resid   26 and name   HN ) (resid   27 and name   HN ) 3.45 1.65 0.0
assign (resid   27 and name   HA ) (resid   28 and name   HN ) 4.18 2.38 0.0
assign (resid   27 and name  HB1 ) (resid   28 and name   HN ) 4.21 2.41 0.0  
assign (resid   27 and name  HB2 ) (resid   28 and name   HN ) 4.05 2.25 0.0  
assign (resid   27 and name   HN ) (resid   28 and name   HN ) 3.36 1.56 0.0
assign (resid   28 and name   HA ) (resid   29 and name   HN ) 4.60 2.80 0.0
assign (resid   28 and name  HB1 ) (resid   29 and name   HN ) 5.10 3.30 0.0  
assign (resid   28 and name  HB2 ) (resid   29 and name   HN ) 4.38 2.58 0.0  
assign (resid   28 and name  HD# ) (resid   29 and name HG1# ) 3.63 1.83 0.0  
assign (resid   28 and name  HE# ) (resid   29 and name HG1# ) 4.50 2.70 0.0  
assign (resid   28 and name   HN ) (resid   29 and name   HN ) 3.75 1.95 0.0
assign (resid   29 and name   HA ) (resid   30 and name   HN ) 4.44 2.64 0.0  
assign (resid   29 and name   HB ) (resid   30 and name   HN ) 4.08 2.28 0.0 
assign (resid   29 and name HG2# ) (resid   30 and name   HN ) 4.57 2.77 0.0  
assign (resid   29 and name   HN ) (resid   30 and name   HN ) 3.80 2.00 0.0  
assign (resid   30 and name   HA ) (resid   31 and name   HN ) 4.33 2.53 0.0
assign (resid   30 and name  HB# ) (resid   31 and name   HN ) 4.01 2.21 0.0  
assign (resid   30 and name   HN ) (resid   31 and name   HN ) 3.69 1.89 0.0  
assign (resid   31 and name   HA ) (resid   32 and name   HN ) 5.02 3.22 0.0  
assign (resid   31 and name  HB1 ) (resid   32 and name   HN ) 4.95 3.15 0.0  
assign (resid   31 and name  HB2 ) (resid   32 and name   HN ) 5.02 3.22 0.0  
assign (resid   31 and name   HN ) (resid   32 and name   HN ) 3.97 2.17 0.0  
assign (resid   31 and name  HB1 ) (resid   32 and name HG2# ) 4.89 3.09 0.0 
assign (resid   32 and name   HA ) (resid   33 and name   HN ) 4.33 2.53 0.0  
assign (resid   32 and name   HN ) (resid   33 and name   HN ) 3.50 1.70 0.0
assign (resid   33 and name   HN ) (resid   34 and name   HN ) 3.52 1.72 0.0
assign (resid   33 and name   HA ) (resid   34 and name   HN ) 3.88 2.08 0.0 
assign (resid   34 and name   HA ) (resid   35 and name  HB# ) 5.50 3.70 0.0 
assign (resid   34 and name  HG1 ) (resid   35 and name   HN ) 5.70 3.90 0.0 
assign (resid   34 and name   HN ) (resid   35 and name   HN ) 5.20 3.40 0.0
assign (resid   34 and name   HA ) (resid   35 and name   HN ) 3.92 2.12 0.0  
assign (resid   34 and name  HB# ) (resid   35 and name   HN ) 3.95 2.15 0.0  
assign (resid   34 and name  HG2 ) (resid   35 and name   HN ) 5.02 3.22 0.0  
assign (resid   35 and name   HA ) (resid   36 and name  HD# ) 3.97 2.17 0.0  
assign (resid   36 and name  HB# ) (resid   37 and name   HA ) 4.50 2.70 0.0 
assign (resid   37 and name   HA ) (resid   38 and name   HN ) 2.77 0.97 0.0
assign (resid   37 and name  HB# ) (resid   38 and name   HN ) 4.95 3.15 0.0  
assign (resid   37 and name  HG# ) (resid   38 and name   HN ) 4.83 3.03 0.0  
assign (resid   38 and name   HA ) (resid   39 and name   HN ) 3.67 1.87 0.0
assign (resid   38 and name  HB# ) (resid   39 and name   HA ) 4.53 2.73 0.0  
assign (resid   38 and name  HB# ) (resid   39 and name   HN ) 4.01 2.21 0.0  
assign (resid   39 and name   HN ) (resid   40 and name   HN ) 3.21 1.41 0.0
assign (resid   40 and name   HA ) (resid   41 and name   HN ) 4.14 2.34 0.0
assign (resid   40 and name  HB# ) (resid   41 and name   HN ) 5.02 3.22 0.0  
assign (resid   40 and name  HG2 ) (resid   41 and name   HN ) 4.71 2.91 0.0  
assign (resid   40 and name   HN ) (resid   41 and name   HN ) 2.95 1.15 0.0
assign (resid   41 and name   HA ) (resid   42 and name  HD1 ) 4.06 2.26 0.0  
assign (resid   41 and name   HA ) (resid   42 and name  HD2 ) 3.88 2.08 0.0  


!Short
assign (resid    3 and name  HD# ) (resid    5 and name   HN ) 5.50 3.70 0.0
assign (resid    3 and name  HE# ) (resid    5 and name   HN ) 5.50 3.70 0.0
assign (resid    5 and name  HA1 ) (resid   10 and name  HB# ) 4.64 2.84 0.0  
assign (resid    5 and name  HA1 ) (resid   10 and name  HG1 ) 4.41 2.61 0.0  
assign (resid    5 and name  HA1 ) (resid   10 and name  HG2 ) 4.60 2.80 0.0  
assign (resid    6 and name   HN ) (resid   10 and name  HB# ) 4.95 3.15 0.0  
assign (resid    6 and name   HN ) (resid   10 and name  HG1 ) 5.02 3.22 0.0  
assign (resid    7 and name   HA ) (resid    9 and name   HN ) 5.20 3.40 0.0
assign (resid    7 and name   HB ) (resid    9 and name   HN ) 3.62 1.82 0.0
assign (resid    7 and name HG2# ) (resid    9 and name   HN ) 5.30 3.50 0.0  
assign (resid    7 and name HG2# ) (resid   10 and name  HG2 ) 5.20 3.40 0.0  
assign (resid    7 and name HG2# ) (resid   10 and name   HN ) 5.20 3.40 0.0  
assign (resid    7 and name   HB ) (resid   10 and name   HN ) 4.60 2.80 0.0
assign (resid    7 and name   HN ) (resid   10 and name   HN ) 5.00 3.20 0.0 
assign (resid    7 and name   HN ) (resid   10 and name  HB# ) 3.78 1.98 0.0  
assign (resid    7 and name   HN ) (resid   10 and name  HG1 ) 4.41 2.61 0.0  
assign (resid    7 and name   HN ) (resid   10 and name  HG2 ) 4.83 3.03 0.0  
assign (resid    7 and name   HN ) (resid   11 and name   HN ) 5.09 3.29 0.0 
assign (resid    8 and name  HA2 ) (resid   11 and name   HN ) 4.23 2.43 0.0
assign (resid    9 and name   HA ) (resid   11 and name   HN ) 4.74 2.94 0.0
assign (resid    9 and name   HA ) (resid   12 and name  HB1 ) 4.44 2.64 0.0  
assign (resid    9 and name   HA ) (resid   12 and name  HB2 ) 4.31 2.51 0.0  
assign (resid    9 and name   HA ) (resid   12 and name   HN ) 4.18 2.38 0.0
assign (resid   10 and name   HN ) (resid   12 and name   HN ) 4.70 2.90 0.0
assign (resid   10 and name   HA ) (resid   13 and name   HN ) 5.00 3.20 0.0 
assign (resid   11 and name   HA ) (resid   14 and name   HN ) 5.00 3.20 0.0 
assign (resid   12 and name   HA ) (resid   15 and name  HB# ) 5.00 3.20 0.0 
assign (resid   12 and name  HD# ) (resid   16 and name   HB ) 5.20 3.40 0.0  
assign (resid   12 and name  HD# ) (resid   16 and name HD1# ) 4.08 2.28 0.0  
assign (resid   12 and name  HD# ) (resid   16 and name HG2# ) 5.00 3.20 0.0  
assign (resid   12 and name  HD# ) (resid   16 and name HG1# ) 3.92 2.12 0.0  
assign (resid   13 and name   HA ) (resid   16 and name   HB ) 4.31 2.51 0.0  
assign (resid   13 and name   HA ) (resid   16 and name HD1# ) 4.73 2.93 0.0  
assign (resid   13 and name   HA ) (resid   16 and name HG2# ) 4.77 2.97 0.0  
assign (resid   13 and name   HA ) (resid   16 and name   HN ) 4.03 2.23 0.0
assign (resid   13 and name   HA ) (resid   16 and name HG1# ) 4.05 2.25 0.0  
assign (resid   14 and name  HE3 ) (resid   11 and name   HA ) 5.50 3.70 0.0
assign (resid   14 and name   HA ) (resid   17 and name   HN ) 4.39 2.59 0.0
assign (resid   14 and name  HE1 ) (resid   18 and name HE21 ) 5.05 3.25 0.0 
assign (resid   14 and name  HE1 ) (resid   18 and name HE22 ) 5.05 3.25 0.0 
assign (resid   15 and name   HA ) (resid   18 and name HE21 ) 5.50 3.70 0.0
assign (resid   16 and name   HA ) (resid   18 and name   HN ) 4.80 3.00 0.0
assign (resid   16 and name HG2# ) (resid   19 and name   HN ) 5.70 3.90 0.0 
assign (resid   16 and name   HA ) (resid   19 and name   HN ) 4.60 2.80 0.0
assign (resid   16 and name   HA ) (resid   20 and name   HN ) 4.23 2.43 0.0
assign (resid   16 and name HD1# ) (resid   22 and name   HA ) 3.84 2.04 0.0  
assign (resid   16 and name HD1# ) (resid   22 and name   HN ) 4.95 3.15 0.0  
assign (resid   16 and name HG2# ) (resid   22 and name   HA ) 4.68 2.88 0.0  
assign (resid   17 and name   HA ) (resid   19 and name   HN ) 3.83 2.03 0.0
assign (resid   17 and name  HB# ) (resid   19 and name   HN ) 5.96 4.16 0.0 
assign (resid   17 and name  HG2 ) (resid   19 and name   HN ) 5.70 3.90 0.0 
assign (resid   17 and name   HN ) (resid   19 and name   HN ) 4.86 3.06 0.0
assign (resid   18 and name  HB2 ) (resid   20 and name HD1# ) 4.29 2.49 0.0  
assign (resid   18 and name  HB2 ) (resid   20 and name   HN ) 5.20 3.40 0.0  
assign (resid   18 and name  HG2 ) (resid   20 and name HD1# ) 4.50 2.70 0.0  
assign (resid   18 and name   HN ) (resid   20 and name   HN ) 4.93 3.13 0.0
assign (resid   18 and name   HN ) (resid   20 and name   HG ) 5.36 3.56 0.0 
assign (resid   18 and name  HB2 ) (resid   20 and name   HG ) 4.29 2.49 0.0 
assign (resid   20 and name  HB# ) (resid   24 and name  HD1 ) 5.43 3.63 0.0  
assign (resid   20 and name HD1# ) (resid   24 and name  HD1 ) 4.27 2.47 0.0  
assign (resid   20 and name HD1# ) (resid   24 and name  HE1 ) 4.68 2.88 0.0  
assign (resid   20 and name HD1# ) (resid   24 and name  HE3 ) 4.50 2.70 0.0  
assign (resid   20 and name HD1# ) (resid   24 and name  HH2 ) 5.20 3.40 0.0  
assign (resid   20 and name HD1# ) (resid   24 and name  HZ3 ) 4.75 2.95 0.0  
assign (resid   20 and name HD2# ) (resid   24 and name  HD1 ) 5.02 3.22 0.0  
assign (resid   20 and name   HG ) (resid   24 and name  HD1 ) 4.88 3.08 0.0  
assign (resid   20 and name   HG ) (resid   24 and name  HE3 ) 4.88 3.08 0.0 
assign (resid   21 and name   HA ) (resid   24 and name   HN ) 4.50 2.70 0.0 
assign (resid   21 and name   HN ) (resid   24 and name  HB1 ) 5.30 3.50 0.0  
assign (resid   21 and name   HN ) (resid   24 and name  HB2 ) 4.68 2.88 0.0  
assign (resid   22 and name   HA ) (resid   25 and name   HN ) 4.03 2.23 0.0
assign (resid   22 and name   HA ) (resid   25 and name  HB1 ) 5.33 3.53 0.0 
assign (resid   22 and name   HA ) (resid   25 and name  HB2 ) 5.33 3.53 0.0  
assign (resid   22 and name   HA ) (resid   26 and name   HN ) 4.64 2.84 0.0
assign (resid   23 and name   HN ) (resid   25 and name   HN ) 4.50 2.70 0.0 
assign (resid   23 and name   HA ) (resid   26 and name  HB1 ) 4.95 3.15 0.0  
assign (resid   23 and name   HA ) (resid   26 and name  HB2 ) 4.83 3.03 0.0  
assign (resid   23 and name   HA ) (resid   26 and name   HN ) 4.10 2.30 0.0
assign (resid   24 and name   HA ) (resid   27 and name  HB2 ) 4.89 3.09 0.0  
assign (resid   24 and name   HA ) (resid   27 and name   HN ) 5.58 3.78 0.0  
assign (resid   24 and name  HE3 ) (resid   28 and name   HN ) 5.24 3.44 0.0 
assign (resid   25 and name   HA ) (resid   28 and name  HB1 ) 4.89 3.09 0.0  
assign (resid   25 and name   HA ) (resid   28 and name  HB2 ) 4.50 2.70 0.0  
assign (resid   25 and name   HA ) (resid   28 and name  HD# ) 5.02 3.22 0.0  
assign (resid   25 and name   HA ) (resid   28 and name   HN ) 3.88 2.08 0.0
assign (resid   25 and name   HA ) (resid   29 and name   HN ) 4.80 3.00 0.0
assign (resid   27 and name   HA ) (resid   30 and name   HN ) 4.57 2.77 0.0  
assign (resid   27 and name   HA ) (resid   31 and name   HN ) 4.52 2.72 0.0 
assign (resid   28 and name   HA ) (resid   31 and name  HB1 ) 5.02 3.22 0.0  
assign (resid   28 and name   HA ) (resid   31 and name  HB2 ) 4.78 2.98 0.0  
assign (resid   28 and name   HA ) (resid   31 and name   HN ) 4.00 2.20 0.0
assign (resid   28 and name  HE# ) (resid   32 and name HD1# ) 4.31 2.51 0.0  
assign (resid   28 and name  HE# ) (resid   32 and name HG2# ) 4.27 2.47 0.0  
assign (resid   29 and name   HA ) (resid   32 and name HD1# ) 4.50 2.70 0.0  
assign (resid   29 and name   HA ) (resid   32 and name HG12 ) 4.23 2.43 0.0  
assign (resid   29 and name   HA ) (resid   32 and name HG13 ) 4.36 2.56 0.0  
assign (resid   29 and name   HA ) (resid   32 and name   HN ) 4.70 2.90 0.0
assign (resid   29 and name HG2# ) (resid   32 and name HD1# ) 4.73 2.93 0.0  
assign (resid   29 and name HG1# ) (resid   32 and name HD1# ) 4.95 3.15 0.0  
assign (resid   29 and name HG2# ) (resid   34 and name   HN ) 4.83 3.03 0.0  
assign (resid   29 and name HG2# ) (resid   34 and name  HB# ) 4.00 2.20 0.0 
assign (resid   30 and name   HA ) (resid   34 and name   HN ) 4.00 2.20 0.0 
assign (resid   31 and name   HN ) (resid   33 and name   HN ) 4.70 2.90 0.0
assign (resid   31 and name   HA ) (resid   33 and name   HN ) 4.70 2.90 0.0
assign (resid   32 and name HG13 ) (resid   34 and name  HG1 ) 4.60 2.80 0.0 
assign (resid   32 and name HD1# ) (resid   34 and name  HG1 ) 4.83 3.03 0.0 
assign (resid   32 and name HD1# ) (resid   34 and name   HN ) 5.70 3.90 0.0 
assign (resid   32 and name HG12 ) (resid   34 and name   HN ) 5.24 3.44 0.0 
assign (resid   32 and name   HB ) (resid   34 and name  HG2 ) 4.33 2.53 0.0 
assign (resid   32 and name HG13 ) (resid   34 and name   HN ) 4.73 2.93 0.0  
assign (resid   37 and name  HB# ) (resid   39 and name   HN ) 5.50 3.70 0.0 
assign (resid   37 and name  HG# ) (resid   39 and name   HN ) 5.50 3.70 0.0 
assign (resid   37 and name  HG# ) (resid   40 and name  HG1 ) 4.60 2.80 0.0  
assign (resid   37 and name  HG# ) (resid   40 and name  HG2 ) 3.93 2.13 0.0  
assign (resid   37 and name  HG# ) (resid   40 and name   HN ) 4.36 2.56 0.0  
assign (resid   37 and name  HG# ) (resid   41 and name   HN ) 5.30 3.50 0.0  
assign (resid   38 and name  HB# ) (resid   40 and name   HN ) 5.51 3.71 0.0 
assign (resid   38 and name   HA ) (resid   40 and name   HN ) 4.80 3.00 0.0
assign (resid   38 and name   HA ) (resid   41 and name   HN ) 4.14 2.34 0.0
assign (resid   39 and name   HN ) (resid   41 and name   HN ) 4.60 2.80 0.0


!Long
assign (resid    6 and name   HA ) (resid   34 and name  HE# ) 4.53 2.73 0.0 
assign (resid    7 and name   HN ) (resid   34 and name  HE# ) 5.30 3.50 0.0 
assign (resid    8 and name  HA1 ) (resid   29 and name HG2# ) 5.00 3.20 0.0 
assign (resid    8 and name  HA1 ) (resid   29 and name HG1# ) 5.00 3.20 0.0 
assign (resid    8 and name  HA2 ) (resid   29 and name HG2# ) 4.69 2.89 0.0 
assign (resid    8 and name  HA2 ) (resid   29 and name HG1# ) 4.83 3.03 0.0  
assign (resid    8 and name  HA2 ) (resid   34 and name  HB# ) 4.49 2.69 0.0 
assign (resid    8 and name   HN ) (resid   34 and name  HB# ) 5.19 3.39 0.0 
assign (resid    8 and name  HA1 ) (resid   35 and name   HN ) 5.51 3.81 0.0 
assign (resid    8 and name  HA2 ) (resid   35 and name   HN ) 5.36 3.56 0.0 
assign (resid    9 and name   HN ) (resid   29 and name HG2# ) 5.50 3.70 0.0 
assign (resid    9 and name   HN ) (resid   34 and name  HB# ) 5.36 3.56 0.0 
assign (resid    9 and name   HA ) (resid   37 and name  HD2 ) 4.24 2.44 0.0 
assign (resid   11 and name  HB1 ) (resid   28 and name  HE# ) 4.47 2.67 0.0 
assign (resid   12 and name  HD# ) (resid   25 and name  HB1 ) 4.33 2.53 0.0  
assign (resid   12 and name  HD# ) (resid   25 and name  HB2 ) 4.33 2.53 0.0  
assign (resid   12 and name   HA ) (resid   25 and name  HB1 ) 5.00 3.20 0.0 
assign (resid   12 and name  HD# ) (resid   26 and name   HA ) 4.50 2.70 0.0  
assign (resid   12 and name  HB1 ) (resid   29 and name HG1# ) 4.25 2.45 0.0 
assign (resid   12 and name  HB2 ) (resid   29 and name HG1# ) 4.25 2.45 0.0  
assign (resid   12 and name   HA ) (resid   29 and name HG2# ) 4.67 2.87 0.0 
assign (resid   12 and name   HA ) (resid   29 and name HG1# ) 4.38 2.58 0.0 
assign (resid   12 and name  HD# ) (resid   29 and name HG1# ) 4.05 2.25 0.0  
assign (resid   12 and name   HN ) (resid   29 and name HG2# ) 5.20 3.40 0.0  
assign (resid   12 and name   HN ) (resid   29 and name HG1# ) 4.27 2.47 0.0  
assign (resid   12 and name  HD# ) (resid   37 and name  HG# ) 4.56 2.76 0.0 
assign (resid   12 and name  HD# ) (resid   40 and name  HG2 ) 4.46 2.66 0.0 
assign (resid   12 and name  HD# ) (resid   40 and name  HB# ) 5.29 3.49 0.0 
assign (resid   14 and name  HZ3 ) (resid   28 and name  HE# ) 4.83 3.03 0.0  
assign (resid   14 and name  HZ3 ) (resid   28 and name   HZ ) 4.78 2.98 0.0  
assign (resid   15 and name  HB# ) (resid   25 and name  HB1 ) 5.58 3.78 0.0  
assign (resid   15 and name   HA ) (resid   25 and name  HB2 ) 5.50 3.70 0.0  
assign (resid   15 and name   HA ) (resid   28 and name  HD# ) 5.02 3.22 0.0  
assign (resid   15 and name   HA ) (resid   28 and name  HE# ) 5.10 3.30 0.0  
assign (resid   15 and name  HB# ) (resid   28 and name  HD# ) 4.41 2.61 0.0  
assign (resid   15 and name  HB# ) (resid   28 and name  HE# ) 4.50 2.70 0.0  
assign (resid   16 and name HD1# ) (resid   25 and name  HB1 ) 5.20 3.40 0.0  
assign (resid   16 and name HD1# ) (resid   25 and name  HB2 ) 4.60 2.80 0.0  
assign (resid   16 and name HG2# ) (resid   25 and name   HN ) 5.30 3.50 0.0  
assign (resid   29 and name HG2# ) (resid   35 and name   HN ) 5.10 3.30 0.0 
assign (resid   29 and name HG2# ) (resid   36 and name  HG# ) 5.50 3.70 0.0 
assign (resid   29 and name HG2# ) (resid   36 and name  HD# ) 4.44 2.64 0.0  
assign (resid   29 and name HG2# ) (resid   37 and name  HD1 ) 4.78 2.98 0.0  
assign (resid   29 and name HG2# ) (resid   37 and name  HD2 ) 4.83 3.03 0.0  
assign (resid   29 and name HG1# ) (resid   37 and name  HD1 ) 4.83 3.03 0.0 
assign (resid   29 and name HG1# ) (resid   37 and name  HD2 ) 4.83 3.03 0.0  





























































assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -64.1   21.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -39.3   27.8 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -65.4   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -40.4   21.7 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.5   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -43.1   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -68.8   24.3 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -36.2   30.7 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -59.9   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -41.9   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -64.9   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -40.3   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -65.3   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -40.7   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -61.6   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -38.5   26.6 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -67.1   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -37.0   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -65.7   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -37.4   20.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -70.7   33.7 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -18.9   53.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -67.8   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -26.7   33.6 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -74.6   32.6 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -28.9   41.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -82.2   48.4 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -27.5   37.1 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -76.6   49.4 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -22.7   62.4 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -65.7   20.8 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -44.2   22.2 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -65.5   20.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -38.9   20.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -65.8   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -43.5   20.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -64.2   20.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -44.8   20.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -65.7   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -41.4   20.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -60.7   20.7 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -38.9   20.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )                       
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -116.6   54.2 2
assign (resid   34 and name N    ) (resid   34 and name CA   )                       
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  150.9   39.7 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0 -112.0   38.8 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0   95.2   49.3 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -70.2   47.2 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  144.2   20.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0 -119.0   35.2 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0   89.3   54.7 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H        ILE   1   3.606  12.987   0.644
    2    HA   ILE   1           HA       ILE   1   3.113  10.124   0.795
    3    HB   ILE   1           HB       ILE   1   2.088  10.796   2.884
    4   HG12  ILE   1          2HG1      ILE   1  -0.010  10.495   0.715
    5   HG13  ILE   1          1HG1      ILE   1   0.826   9.168   1.522
    6   HG21  ILE   1          1HG2      ILE   1   0.638  12.647   3.107
    7   HG22  ILE   1          2HG2      ILE   1   0.342  12.733   1.370
    8   HG23  ILE   1          3HG2      ILE   1   1.900  13.237   2.024
    9   HD11  ILE   1          3HD1      ILE   1  -1.311  10.974   2.562
   10   HD12  ILE   1          1HD1      ILE   1  -0.076  10.435   3.700
   11   HD13  ILE   1          2HD1      ILE   1  -1.063   9.251   2.842
   12    HA   PRO   2           HA       PRO   2   1.732  12.218  -3.063
   13    HB2  PRO   2           2HB      PRO   2   2.878  10.367  -4.733
   14    HB3  PRO   2           1HB      PRO   2   3.764  11.760  -4.078
   15    HG2  PRO   2           2HG      PRO   2   3.788   8.919  -3.204
   16    HG3  PRO   2           1HG      PRO   2   5.116  10.084  -3.290
   17    HD2  PRO   2           2HD      PRO   2   3.839   9.403  -0.970
   18    HD3  PRO   2           1HD      PRO   2   4.645  10.967  -1.228
   19    H    TYR   3           H        TYR   3   1.101  10.270  -5.137
   20    HA   TYR   3           HA       TYR   3  -1.499   9.526  -4.659
   21    HB2  TYR   3           2HB      TYR   3  -0.831   7.499  -6.221
   22    HB3  TYR   3           1HB      TYR   3  -0.747   9.154  -6.823
   23    HD1  TYR   3           2HD      TYR   3   1.681   7.835  -4.349
   24    HD2  TYR   3           1HD      TYR   3   0.939   8.670  -8.498
   25    HE1  TYR   3           2HE      TYR   3   4.089   7.526  -4.843
   26    HE2  TYR   3           1HE      TYR   3   3.349   8.360  -8.988
   27    HH   TYR   3           HH       TYR   3   5.295   7.460  -8.133
   28    H    CYS   4           H        CYS   4   0.241   6.559  -4.930
   29    HA   CYS   4           HA       CYS   4  -1.174   5.272  -2.825
   30    HB2  CYS   4           2HB      CYS   4   0.108   4.324  -4.838
   31    HB3  CYS   4           1HB      CYS   4   1.569   4.527  -3.871
   32    H    GLY   5           H        GLY   5   2.084   6.730  -2.889
   33    HA2  GLY   5           2HA      GLY   5   2.366   7.876  -0.493
   34    HA3  GLY   5           1HA      GLY   5   2.414   6.181   0.005
   35    H    GLN   6           H        GLN   6   4.584   5.992   0.566
   36    HA   GLN   6           HA       GLN   6   6.590   6.725  -1.540
   37    HB2  GLN   6           2HB      GLN   6   6.749   7.936   0.601
   38    HB3  GLN   6           1HB      GLN   6   6.830   6.399   1.469
   39    HG2  GLN   6           2HG      GLN   6   9.090   7.146   1.248
   40    HG3  GLN   6           1HG      GLN   6   8.887   5.862   0.055
   41   HE21  GLN   6          1HE2      GLN   6  10.748   8.263   0.019
   42   HE22  GLN   6          2HE2      GLN   6  10.395   9.063  -1.446
   43    H    THR   7           H        THR   7   6.163   4.360   1.128
   44    HA   THR   7           HA       THR   7   7.680   2.364  -0.507
   45    HB   THR   7           HB       THR   7   8.265   1.396   1.585
   46    HG1  THR   7           1HG      THR   7   6.009   2.813   2.508
   47   HG21  THR   7          3HG2      THR   7   9.218   3.207   2.826
   48   HG22  THR   7          1HG2      THR   7   7.979   4.328   2.263
   49   HG23  THR   7          2HG2      THR   7   9.195   3.723   1.139
   50    H    GLY   8           H        GLY   8   6.814   0.003   0.426
   51    HA2  GLY   8           2HA      GLY   8   4.064  -0.155  -0.607
   52    HA3  GLY   8           1HA      GLY   8   5.094  -1.527  -0.183
   53    H    ALA   9           H        ALA   9   5.765  -0.843   2.455
   54    HA   ALA   9           HA       ALA   9   3.752  -1.927   4.024
   55    HB1  ALA   9           1HB      ALA   9   5.063  -1.192   5.813
   56    HB2  ALA   9           2HB      ALA   9   5.376   0.375   5.067
   57    HB3  ALA   9           3HB      ALA   9   6.213  -1.063   4.481
   58    H    GLU  10           H        GLU  10   4.297   1.596   3.582
   59    HA   GLU  10           HA       GLU  10   1.997   2.477   4.995
   60    HB2  GLU  10           2HB      GLU  10   2.369   4.550   3.603
   61    HB3  GLU  10           1HB      GLU  10   3.828   3.941   4.381
   62    HG2  GLU  10           2HG      GLU  10   4.703   4.136   2.280
   63    HG3  GLU  10           1HG      GLU  10   3.931   2.566   2.041
   64    H    CYS  11           H        CYS  11   2.381   1.698   1.518
   65    HA   CYS  11           HA       CYS  11  -0.293   2.435   0.749
   66    HB2  CYS  11           2HB      CYS  11   1.972   0.792  -0.331
   67    HB3  CYS  11           1HB      CYS  11   0.401   0.678  -1.122
   68    H    TYR  12           H        TYR  12   1.155  -0.578   1.929
   69    HA   TYR  12           HA       TYR  12  -0.869  -2.444   1.431
   70    HB2  TYR  12           2HB      TYR  12   1.493  -2.375   2.740
   71    HB3  TYR  12           1HB      TYR  12   0.397  -2.423   4.120
   72    HD1  TYR  12           1HD      TYR  12  -1.744  -4.117   3.556
   73    HD2  TYR  12           2HD      TYR  12   2.288  -4.461   2.120
   74    HE1  TYR  12           1HE      TYR  12  -2.077  -6.547   3.210
   75    HE2  TYR  12           2HE      TYR  12   1.956  -6.893   1.773
   76    HH   TYR  12           HH       TYR  12  -0.186  -8.664   3.130
   77    H    SER  13           H        SER  13  -0.973   0.313   3.565
   78    HA   SER  13           HA       SER  13  -3.137  -0.710   5.248
   79    HB2  SER  13           2HB      SER  13  -1.736   1.926   4.817
   80    HB3  SER  13           1HB      SER  13  -3.131   1.806   5.884
   81    HG   SER  13           HG       SER  13  -1.559   1.303   7.239
   82    H    TRP  14           H        TRP  14  -2.899   1.288   2.328
   83    HA   TRP  14           HA       TRP  14  -5.655   2.205   2.389
   84    HB2  TRP  14           2HB      TRP  14  -3.901   3.425   1.238
   85    HB3  TRP  14           1HB      TRP  14  -3.522   2.016   0.240
   86    HD1  TRP  14           HD       TRP  14  -6.638   4.207   0.982
   87    HE1  TRP  14           1HE      TRP  14  -7.946   4.500  -1.221
   88    HE3  TRP  14           3HE      TRP  14  -3.750   1.382  -2.144
   89    HZ2  TRP  14           2HZ      TRP  14  -7.789   3.648  -3.945
   90    HZ3  TRP  14           3HZ      TRP  14  -4.356   1.142  -4.536
   91    HH2  TRP  14           HH       TRP  14  -6.368   2.270  -5.439
   92    H    CYS  15           H        CYS  15  -3.969  -0.194   0.334
   93    HA   CYS  15           HA       CYS  15  -6.059  -1.189  -1.189
   94    HB2  CYS  15           2HB      CYS  15  -4.736  -3.387  -0.967
   95    HB3  CYS  15           1HB      CYS  15  -3.830  -1.971  -1.503
   96    H    ILE  16           H        ILE  16  -5.360  -2.011   2.208
   97    HA   ILE  16           HA       ILE  16  -7.251  -4.161   2.417
   98    HB   ILE  16           HB       ILE  16  -6.254  -2.238   4.541
   99   HG12  ILE  16          2HG1      ILE  16  -4.440  -3.292   3.149
  100   HG13  ILE  16          1HG1      ILE  16  -4.402  -3.792   4.840
  101   HG21  ILE  16          1HG2      ILE  16  -7.016  -5.150   4.820
  102   HG22  ILE  16          2HG2      ILE  16  -8.190  -3.851   5.046
  103   HG23  ILE  16          3HG2      ILE  16  -6.780  -3.960   6.101
  104   HD11  ILE  16          3HD1      ILE  16  -4.376  -5.525   2.724
  105   HD12  ILE  16          1HD1      ILE  16  -6.097  -5.472   3.102
  106   HD13  ILE  16          2HD1      ILE  16  -4.935  -5.945   4.342
  107    H    LYS  17           H        LYS  17  -7.594  -0.647   2.836
  108    HA   LYS  17           HA       LYS  17 -10.080  -0.489   4.123
  109    HB2  LYS  17           2HB      LYS  17  -9.180   1.164   1.744
  110    HB3  LYS  17           1HB      LYS  17 -10.229   1.684   3.065
  111    HG2  LYS  17           2HG      LYS  17  -7.822   0.663   4.213
  112    HG3  LYS  17           1HG      LYS  17  -7.377   1.793   2.935
  113    HD2  LYS  17           2HD      LYS  17  -7.742   3.400   4.493
  114    HD3  LYS  17           1HD      LYS  17  -9.450   3.118   4.158
  115    HE2  LYS  17           2HE      LYS  17  -9.228   1.204   5.940
  116    HE3  LYS  17           1HE      LYS  17  -7.792   2.110   6.459
  117    HZ1  LYS  17           3HZ      LYS  17  -9.092   4.093   6.657
  118    HZ2  LYS  17           1HZ      LYS  17  -9.871   2.875   7.542
  119    HZ3  LYS  17           2HZ      LYS  17 -10.467   3.327   6.017
  120    H    GLN  18           H        GLN  18  -9.351  -1.694   0.940
  121    HA   GLN  18           HA       GLN  18 -11.958  -1.370  -0.260
  122    HB2  GLN  18           2HB      GLN  18  -9.732  -3.382  -0.738
  123    HB3  GLN  18           1HB      GLN  18 -11.044  -3.025  -1.861
  124    HG2  GLN  18           2HG      GLN  18  -9.222  -0.847  -0.835
  125    HG3  GLN  18           1HG      GLN  18  -8.793  -1.815  -2.250
  126   HE21  GLN  18          1HE2      GLN  18 -10.573   0.927  -1.224
  127   HE22  GLN  18          2HE2      GLN  18 -11.465   1.169  -2.648
  128    H    ASP  19           H        ASP  19 -10.755  -3.439   2.196
  129    HA   ASP  19           HA       ASP  19 -11.745  -5.221   3.379
  130    HB2  ASP  19           2HB      ASP  19 -13.547  -3.597   3.559
  131    HB3  ASP  19           1HB      ASP  19 -14.138  -4.024   1.950
  132    H    LEU  20           H        LEU  20 -10.533  -5.954   0.877
  133    HA   LEU  20           HA       LEU  20 -12.469  -7.837  -0.379
  134    HB2  LEU  20           2HB      LEU  20  -9.567  -7.475  -1.105
  135    HB3  LEU  20           1HB      LEU  20 -10.908  -7.927  -2.150
  136    HG   LEU  20           HG       LEU  20 -10.282  -5.204  -1.001
  137   HD11  LEU  20          1HD1      LEU  20  -9.952  -4.559  -3.202
  138   HD12  LEU  20          2HD1      LEU  20 -11.035  -5.797  -3.837
  139   HD13  LEU  20          3HD1      LEU  20  -9.419  -6.238  -3.286
  140   HD21  LEU  20          3HD2      LEU  20 -12.431  -4.429  -1.806
  141   HD22  LEU  20          1HD2      LEU  20 -12.729  -5.796  -0.735
  142   HD23  LEU  20          2HD2      LEU  20 -12.802  -6.014  -2.482
  143    H    SER  21           H        SER  21  -9.090  -8.012   0.818
  144    HA   SER  21           HA       SER  21  -9.548 -10.253   2.561
  145    HB2  SER  21           2HB      SER  21 -10.032 -11.464   0.542
  146    HB3  SER  21           1HB      SER  21  -8.645 -10.763  -0.286
  147    HG   SER  21           HG       SER  21  -8.554 -13.009   0.754
  148    H    LYS  22           H        LYS  22  -7.578 -10.839   3.648
  149    HA   LYS  22           HA       LYS  22  -5.528  -8.881   3.795
  150    HB2  LYS  22           2HB      LYS  22  -6.034 -11.661   4.713
  151    HB3  LYS  22           1HB      LYS  22  -4.346 -11.146   4.729
  152    HG2  LYS  22           2HG      LYS  22  -6.588  -9.520   5.954
  153    HG3  LYS  22           1HG      LYS  22  -5.611 -10.668   6.871
  154    HD2  LYS  22           2HD      LYS  22  -3.577  -9.369   5.900
  155    HD3  LYS  22           1HD      LYS  22  -4.751  -8.101   5.549
  156    HE2  LYS  22           2HE      LYS  22  -5.322  -8.886   8.189
  157    HE3  LYS  22           1HE      LYS  22  -3.551  -8.801   8.100
  158    HZ1  LYS  22           3HZ      LYS  22  -4.856  -6.633   8.502
  159    HZ2  LYS  22           1HZ      LYS  22  -5.217  -6.714   6.848
  160    HZ3  LYS  22           2HZ      LYS  22  -3.599  -6.624   7.360
  161    H    ASP  23           H        ASP  23  -5.853 -11.727   1.746
  162    HA   ASP  23           HA       ASP  23  -3.090 -11.570   0.747
  163    HB2  ASP  23           2HB      ASP  23  -4.974 -13.535   0.996
  164    HB3  ASP  23           1HB      ASP  23  -5.181 -13.100  -0.701
  165    H    TRP  24           H        TRP  24  -6.192 -10.233   0.024
  166    HA   TRP  24           HA       TRP  24  -5.989  -9.744  -2.764
  167    HB2  TRP  24           2HB      TRP  24  -8.025  -8.904  -2.241
  168    HB3  TRP  24           1HB      TRP  24  -7.639  -9.094  -0.532
  169    HD1  TRP  24           HD       TRP  24  -7.427  -6.940   0.846
  170    HE1  TRP  24           1HE      TRP  24  -7.340  -4.425   0.300
  171    HE3  TRP  24           3HE      TRP  24  -7.118  -7.158  -4.236
  172    HZ2  TRP  24           2HZ      TRP  24  -7.155  -2.724  -2.000
  173    HZ3  TRP  24           3HZ      TRP  24  -6.985  -5.083  -5.587
  174    HH2  TRP  24           HH       TRP  24  -7.004  -2.867  -4.474
  175    H    CYS  25           H        CYS  25  -5.060  -7.598  -0.031
  176    HA   CYS  25           HA       CYS  25  -3.799  -5.643  -1.762
  177    HB2  CYS  25           2HB      CYS  25  -4.653  -5.038   0.415
  178    HB3  CYS  25           1HB      CYS  25  -3.642  -6.258   1.198
  179    H    CYS  26           H        CYS  26  -2.529  -8.275   0.303
  180    HA   CYS  26           HA       CYS  26   0.211  -7.934   0.105
  181    HB2  CYS  26           2HB      CYS  26  -1.140  -9.791   1.201
  182    HB3  CYS  26           1HB      CYS  26  -1.247 -10.548  -0.387
  183    H    ASP  27           H        ASP  27  -1.960  -9.235  -2.388
  184    HA   ASP  27           HA       ASP  27   0.247  -9.666  -4.287
  185    HB2  ASP  27           2HB      ASP  27  -2.690 -10.150  -4.073
  186    HB3  ASP  27           1HB      ASP  27  -2.006 -10.062  -5.696
  187    H    PHE  28           H        PHE  28  -1.972  -7.111  -3.473
  188    HA   PHE  28           HA       PHE  28  -1.886  -5.838  -6.110
  189    HB2  PHE  28           2HB      PHE  28  -3.851  -5.414  -4.927
  190    HB3  PHE  28           1HB      PHE  28  -3.008  -5.278  -3.383
  191    HD1  PHE  28           1HD      PHE  28  -3.433  -3.566  -6.684
  192    HD2  PHE  28           2HD      PHE  28  -2.393  -3.173  -2.534
  193    HE1  PHE  28           1HE      PHE  28  -3.333  -1.101  -6.942
  194    HE2  PHE  28           2HE      PHE  28  -2.291  -0.712  -2.791
  195    HZ   PHE  28           HZ       PHE  28  -2.760   0.325  -4.997
  196    H    VAL  29           H        VAL  29  -0.808  -4.599  -2.900
  197    HA   VAL  29           HA       VAL  29   0.844  -2.552  -3.970
  198    HB   VAL  29           HB       VAL  29   0.101  -2.592  -1.661
  199   HG11  VAL  29          1HG1      VAL  29   0.097  -5.041  -1.349
  200   HG12  VAL  29          2HG1      VAL  29   0.980  -4.233  -0.052
  201   HG13  VAL  29          3HG1      VAL  29   1.860  -5.041  -1.354
  202   HG21  VAL  29          3HG2      VAL  29   2.138  -1.364  -1.988
  203   HG22  VAL  29          1HG2      VAL  29   3.096  -2.844  -2.011
  204   HG23  VAL  29          2HG2      VAL  29   2.348  -2.302  -0.508
  205    H    LYS  30           H        LYS  30   1.451  -5.973  -3.604
  206    HA   LYS  30           HA       LYS  30   4.362  -5.753  -3.855
  207    HB2  LYS  30           2HB      LYS  30   3.248  -7.596  -2.666
  208    HB3  LYS  30           1HB      LYS  30   2.403  -8.057  -4.145
  209    HG2  LYS  30           2HG      LYS  30   5.169  -7.900  -4.782
  210    HG3  LYS  30           1HG      LYS  30   5.031  -8.824  -3.284
  211    HD2  LYS  30           2HD      LYS  30   4.301 -10.604  -4.446
  212    HD3  LYS  30           1HD      LYS  30   2.929  -9.659  -5.028
  213    HE2  LYS  30           2HE      LYS  30   3.963 -10.190  -7.054
  214    HE3  LYS  30           1HE      LYS  30   4.785  -8.660  -6.679
  215    HZ1  LYS  30           3HZ      LYS  30   6.494  -9.924  -5.506
  216    HZ2  LYS  30           1HZ      LYS  30   6.407 -10.387  -7.135
  217    HZ3  LYS  30           2HZ      LYS  30   5.730 -11.379  -5.934
  218    H    ASP  31           H        ASP  31   1.618  -6.042  -6.013
  219    HA   ASP  31           HA       ASP  31   3.188  -6.849  -8.352
  220    HB2  ASP  31           2HB      ASP  31   0.703  -7.294  -7.744
  221    HB3  ASP  31           1HB      ASP  31   0.420  -5.647  -8.312
  222    H    ILE  32           H        ILE  32   2.413  -3.872  -6.767
  223    HA   ILE  32           HA       ILE  32   2.627  -2.196  -9.163
  224    HB   ILE  32           HB       ILE  32   2.976  -1.089  -6.411
  225   HG12  ILE  32          2HG1      ILE  32   1.334  -2.721  -5.832
  226   HG13  ILE  32          1HG1      ILE  32   0.429  -1.244  -6.141
  227   HG21  ILE  32          1HG2      ILE  32   0.857   0.134  -7.720
  228   HG22  ILE  32          2HG2      ILE  32   1.948  -0.310  -9.032
  229   HG23  ILE  32          3HG2      ILE  32   2.527   0.701  -7.707
  230   HD11  ILE  32          3HD1      ILE  32  -0.818  -2.671  -7.437
  231   HD12  ILE  32          1HD1      ILE  32   0.534  -3.762  -7.730
  232   HD13  ILE  32          2HD1      ILE  32   0.411  -2.251  -8.630
  233    H    ARG  33           H        ARG  33   4.954  -3.935  -8.662
  234    HA   ARG  33           HA       ARG  33   7.313  -3.787  -8.458
  235    HB2  ARG  33           2HB      ARG  33   6.588  -1.078  -9.621
  236    HB3  ARG  33           1HB      ARG  33   8.148  -1.884  -9.781
  237    HG2  ARG  33           2HG      ARG  33   5.680  -3.351 -10.637
  238    HG3  ARG  33           1HG      ARG  33   6.330  -2.097 -11.694
  239    HD2  ARG  33           2HD      ARG  33   8.390  -3.236 -11.975
  240    HD3  ARG  33           1HD      ARG  33   8.102  -4.275 -10.566
  241    HE   ARG  33           HE       ARG  33   6.740  -5.647 -11.927
  242   HH11  ARG  33          1HH2      ARG  33   7.241  -2.528 -13.326
  243   HH12  ARG  33          2HH2      ARG  33   6.433  -2.922 -14.806
  244   HH21  ARG  33          1HH1      ARG  33   5.687  -6.168 -13.855
  245   HH22  ARG  33          2HH1      ARG  33   5.556  -4.977 -15.105
  246    H    MET  34           H        MET  34   6.037  -3.157  -6.005
  247    HA   MET  34           HA       MET  34   7.623  -0.812  -5.011
  248    HB2  MET  34           2HB      MET  34   4.964  -2.047  -4.330
  249    HB3  MET  34           1HB      MET  34   5.810  -1.075  -3.125
  250    HG2  MET  34           2HG      MET  34   6.038   0.538  -5.304
  251    HG3  MET  34           1HG      MET  34   4.485  -0.236  -5.637
  252    HE1  MET  34           3HE      MET  34   5.321   2.795  -5.052
  253    HE2  MET  34           1HE      MET  34   6.383   2.438  -3.683
  254    HE3  MET  34           2HE      MET  34   4.938   3.418  -3.448
  255    H    ASN  35           H        ASN  35   8.015  -1.166  -2.491
  256    HA   ASN  35           HA       ASN  35   9.198  -3.903  -2.174
  257    HB2  ASN  35           2HB      ASN  35  10.240  -1.290  -1.992
  258    HB3  ASN  35           1HB      ASN  35  10.133  -1.867  -0.329
  259   HD21  ASN  35          1HD2      ASN  35  11.976  -2.073  -3.231
  260   HD22  ASN  35          2HD2      ASN  35  12.990  -3.361  -2.758
  261    HA   PRO  36           HA       PRO  36   5.813  -3.817   0.896
  262    HB2  PRO  36           2HB      PRO  36   5.472  -6.529   0.912
  263    HB3  PRO  36           1HB      PRO  36   4.709  -5.468  -0.290
  264    HG2  PRO  36           2HG      PRO  36   7.144  -7.165  -0.537
  265    HG3  PRO  36           1HG      PRO  36   5.859  -6.858  -1.715
  266    HD2  PRO  36           2HD      PRO  36   8.291  -5.639  -1.811
  267    HD3  PRO  36           1HD      PRO  36   6.801  -4.892  -2.429
  268    HA   PRO  37           HA       PRO  37   8.494  -4.932   4.209
  269    HB2  PRO  37           2HB      PRO  37   6.684  -4.855   6.254
  270    HB3  PRO  37           1HB      PRO  37   7.307  -3.394   5.464
  271    HG2  PRO  37           2HG      PRO  37   4.682  -4.719   5.179
  272    HG3  PRO  37           1HG      PRO  37   5.112  -3.011   5.021
  273    HD2  PRO  37           2HD      PRO  37   4.651  -4.795   2.917
  274    HD3  PRO  37           1HD      PRO  37   5.430  -3.202   2.788
  275    H    ALA  38           H        ALA  38   8.763  -6.685   5.867
  276    HA   ALA  38           HA       ALA  38   7.434  -9.192   4.966
  277    HB1  ALA  38           1HB      ALA  38   9.321 -10.209   6.277
  278    HB2  ALA  38           2HB      ALA  38   9.855  -8.580   6.693
  279    HB3  ALA  38           3HB      ALA  38   9.872  -9.113   5.011
  280    H    ASP  39           H        ASP  39   6.860  -6.872   7.250
  281    HA   ASP  39           HA       ASP  39   6.016  -8.815   9.362
  282    HB2  ASP  39           2HB      ASP  39   5.830  -6.649  10.692
  283    HB3  ASP  39           1HB      ASP  39   7.457  -7.044  10.134
  284    H    LYS  40           H        LYS  40   4.587  -8.210   6.749
  285    HA   LYS  40           HA       LYS  40   1.974  -7.367   7.956
  286    HB2  LYS  40           2HB      LYS  40   3.474  -5.852   6.273
  287    HB3  LYS  40           1HB      LYS  40   2.532  -6.772   5.099
  288    HG2  LYS  40           2HG      LYS  40   1.012  -5.096   5.456
  289    HG3  LYS  40           1HG      LYS  40   0.564  -6.113   6.827
  290    HD2  LYS  40           2HD      LYS  40   2.510  -4.771   8.030
  291    HD3  LYS  40           1HD      LYS  40   2.142  -3.571   6.791
  292    HE2  LYS  40           2HE      LYS  40  -0.234  -4.727   8.127
  293    HE3  LYS  40           1HE      LYS  40   0.801  -3.722   9.162
  294    HZ1  LYS  40           3HZ      LYS  40  -0.476  -2.134   8.119
  295    HZ2  LYS  40           1HZ      LYS  40  -0.580  -3.001   6.666
  296    HZ3  LYS  40           2HZ      LYS  40   0.864  -2.205   7.075
  297    H    CYS  41           H        CYS  41   3.554  -9.037   5.215
  298    HA   CYS  41           HA       CYS  41   1.183 -10.875   5.101
  299    HB2  CYS  41           2HB      CYS  41   1.648  -9.169   3.215
  300    HB3  CYS  41           1HB      CYS  41   3.034 -10.190   2.814
  301    HA   PRO  42           HA       PRO  42   4.506 -13.716   6.136
  302    HB2  PRO  42           2HB      PRO  42   2.864 -15.852   6.623
  303    HB3  PRO  42           1HB      PRO  42   3.134 -14.553   7.802
  304    HG2  PRO  42           2HG      PRO  42   0.837 -14.991   5.964
  305    HG3  PRO  42           1HG      PRO  42   0.852 -14.393   7.629
  306    HD2  PRO  42           2HD      PRO  42   0.584 -12.779   5.442
  307    HD3  PRO  42           1HD      PRO  42   1.272 -12.240   6.993
  Start of MODEL    2
    1    H1   ILE   1           H        ILE   1   7.800  15.230   2.868
    2    HA   ILE   1           HA       ILE   1   4.800  15.119   2.962
    3    HB   ILE   1           HB       ILE   1   6.452  15.665   0.490
    4   HG12  ILE   1          2HG1      ILE   1   5.355  17.718   2.443
    5   HG13  ILE   1          1HG1      ILE   1   7.064  17.359   2.195
    6   HG21  ILE   1          1HG2      ILE   1   3.960  15.027   0.479
    7   HG22  ILE   1          2HG2      ILE   1   4.410  16.491  -0.395
    8   HG23  ILE   1          3HG2      ILE   1   3.672  16.609   1.203
    9   HD11  ILE   1          3HD1      ILE   1   6.956  19.042   0.664
   10   HD12  ILE   1          1HD1      ILE   1   5.203  18.917   0.508
   11   HD13  ILE   1          2HD1      ILE   1   6.249  17.804  -0.375
   12    HA   PRO   2           HA       PRO   2   6.493  11.008   1.791
   13    HB2  PRO   2           2HB      PRO   2   5.126   9.560   3.661
   14    HB3  PRO   2           1HB      PRO   2   6.691  10.333   3.990
   15    HG2  PRO   2           2HG      PRO   2   3.981  11.128   4.842
   16    HG3  PRO   2           1HG      PRO   2   5.543  11.417   5.618
   17    HD2  PRO   2           2HD      PRO   2   4.054  13.262   4.105
   18    HD3  PRO   2           1HD      PRO   2   5.738  13.447   4.645
   19    H    TYR   3           H        TYR   3   5.442  10.161   0.034
   20    HA   TYR   3           HA       TYR   3   2.494  10.408  -0.194
   21    HB2  TYR   3           2HB      TYR   3   2.915  10.020  -2.518
   22    HB3  TYR   3           1HB      TYR   3   4.275  11.007  -1.966
   23    HD1  TYR   3           1HD      TYR   3   6.502  10.023  -1.637
   24    HD2  TYR   3           2HD      TYR   3   3.202   7.661  -3.046
   25    HE1  TYR   3           1HE      TYR   3   8.071   8.226  -2.304
   26    HE2  TYR   3           2HE      TYR   3   4.773   5.864  -3.712
   27    HH   TYR   3           HH       TYR   3   7.238   5.717  -4.345
   28    H    CYS   4           H        CYS   4   1.226   8.682   0.426
   29    HA   CYS   4           HA       CYS   4   0.571   6.458   0.886
   30    HB2  CYS   4           2HB      CYS   4   0.843   6.054  -1.415
   31    HB3  CYS   4           1HB      CYS   4   2.581   6.302  -1.355
   32    H    GLY   5           H        GLY   5   3.367   7.746   1.973
   33    HA2  GLY   5           2HA      GLY   5   4.427   6.992   4.007
   34    HA3  GLY   5           1HA      GLY   5   3.980   5.335   3.589
   35    H    GLN   6           H        GLN   6   5.061   6.684   0.781
   36    HA   GLN   6           HA       GLN   6   7.109   6.572  -0.399
   37    HB2  GLN   6           2HB      GLN   6   7.669   7.840   1.833
   38    HB3  GLN   6           1HB      GLN   6   8.477   6.331   2.274
   39    HG2  GLN   6           2HG      GLN   6  10.031   6.504   0.527
   40    HG3  GLN   6           1HG      GLN   6   9.012   7.610  -0.397
   41   HE21  GLN   6          1HE2      GLN   6   8.536   9.777   0.942
   42   HE22  GLN   6          2HE2      GLN   6   9.902  10.459   1.703
   43    H    THR   7           H        THR   7   5.707   4.131   1.171
   44    HA   THR   7           HA       THR   7   7.615   2.132   0.107
   45    HB   THR   7           HB       THR   7   7.653   0.997   2.359
   46    HG1  THR   7           1HG      THR   7   6.736   1.957   4.039
   47   HG21  THR   7          3HG2      THR   7   8.690   3.843   2.395
   48   HG22  THR   7          1HG2      THR   7   9.482   2.509   1.556
   49   HG23  THR   7          2HG2      THR   7   9.324   2.476   3.312
   50    H    GLY   8           H        GLY   8   6.533   0.251  -0.513
   51    HA2  GLY   8           2HA      GLY   8   3.692   0.274  -0.767
   52    HA3  GLY   8           1HA      GLY   8   4.712  -1.151  -0.991
   53    H    ALA   9           H        ALA   9   5.731  -0.551   1.881
   54    HA   ALA   9           HA       ALA   9   3.976  -2.422   3.221
   55    HB1  ALA   9           1HB      ALA   9   5.483  -1.315   5.185
   56    HB2  ALA   9           2HB      ALA   9   6.412  -0.809   3.773
   57    HB3  ALA   9           3HB      ALA   9   6.112  -2.523   4.064
   58    H    GLU  10           H        GLU  10   4.163   1.088   3.051
   59    HA   GLU  10           HA       GLU  10   2.412   1.540   5.356
   60    HB2  GLU  10           2HB      GLU  10   3.565   3.209   3.111
   61    HB3  GLU  10           1HB      GLU  10   2.473   3.895   4.315
   62    HG2  GLU  10           2HG      GLU  10   4.909   2.327   5.154
   63    HG3  GLU  10           1HG      GLU  10   5.025   4.047   4.765
   64    H    CYS  11           H        CYS  11   2.073   1.617   1.801
   65    HA   CYS  11           HA       CYS  11  -0.689   2.417   1.758
   66    HB2  CYS  11           2HB      CYS  11   1.392   1.371  -0.055
   67    HB3  CYS  11           1HB      CYS  11  -0.256   0.962  -0.537
   68    H    TYR  12           H        TYR  12   0.865  -0.576   2.528
   69    HA   TYR  12           HA       TYR  12  -0.831  -2.612   1.772
   70    HB2  TYR  12           2HB      TYR  12   0.794  -3.452   3.127
   71    HB3  TYR  12           1HB      TYR  12   0.920  -1.946   4.035
   72    HD1  TYR  12           2HD      TYR  12  -1.658  -4.654   3.553
   73    HD2  TYR  12           1HD      TYR  12   0.470  -2.130   6.301
   74    HE1  TYR  12           2HE      TYR  12  -2.873  -5.692   5.447
   75    HE2  TYR  12           1HE      TYR  12  -0.746  -3.170   8.195
   76    HH   TYR  12           HH       TYR  12  -3.488  -5.152   7.753
   77    H    SER  13           H        SER  13  -1.353  -0.510   4.630
   78    HA   SER  13           HA       SER  13  -3.864  -1.540   5.430
   79    HB2  SER  13           2HB      SER  13  -2.129   0.331   6.307
   80    HB3  SER  13           1HB      SER  13  -3.353   1.389   5.611
   81    HG   SER  13           HG       SER  13  -3.710   0.794   7.846
   82    H    TRP  14           H        TRP  14  -3.057   0.422   2.660
   83    HA   TRP  14           HA       TRP  14  -5.750   1.510   2.281
   84    HB2  TRP  14           2HB      TRP  14  -3.419   2.391   1.530
   85    HB3  TRP  14           1HB      TRP  14  -3.576   1.236   0.204
   86    HD1  TRP  14           HD       TRP  14  -5.595   4.128   1.789
   87    HE1  TRP  14           1HE      TRP  14  -6.909   5.310  -0.090
   88    HE3  TRP  14           3HE      TRP  14  -4.343   1.152  -2.166
   89    HZ2  TRP  14           2HZ      TRP  14  -7.369   5.027  -2.899
   90    HZ3  TRP  14           3HZ      TRP  14  -5.231   1.629  -4.430
   91    HH2  TRP  14           HH       TRP  14  -6.742   3.561  -4.802
   92    H    CYS  15           H        CYS  15  -3.812  -0.713   0.235
   93    HA   CYS  15           HA       CYS  15  -5.786  -1.679  -1.449
   94    HB2  CYS  15           2HB      CYS  15  -4.456  -4.004  -0.958
   95    HB3  CYS  15           1HB      CYS  15  -3.820  -2.725  -1.971
   96    H    ILE  16           H        ILE  16  -5.513  -2.302   1.983
   97    HA   ILE  16           HA       ILE  16  -7.362  -4.561   2.010
   98    HB   ILE  16           HB       ILE  16  -6.372  -2.678   4.170
   99   HG12  ILE  16          2HG1      ILE  16  -4.961  -4.522   2.567
  100   HG13  ILE  16          1HG1      ILE  16  -4.387  -3.745   4.037
  101   HG21  ILE  16          1HG2      ILE  16  -8.438  -4.027   4.705
  102   HG22  ILE  16          2HG2      ILE  16  -7.057  -4.375   5.744
  103   HG23  ILE  16          3HG2      ILE  16  -7.482  -5.486   4.442
  104   HD11  ILE  16          3HD1      ILE  16  -5.098  -5.589   5.394
  105   HD12  ILE  16          1HD1      ILE  16  -4.262  -6.293   4.009
  106   HD13  ILE  16          2HD1      ILE  16  -6.025  -6.294   4.069
  107    H    LYS  17           H        LYS  17  -7.657  -1.060   2.151
  108    HA   LYS  17           HA       LYS  17 -10.300  -0.997   3.342
  109    HB2  LYS  17           2HB      LYS  17 -10.085   1.311   3.044
  110    HB3  LYS  17           1HB      LYS  17  -8.398   0.809   3.054
  111    HG2  LYS  17           2HG      LYS  17  -8.221   0.981   0.687
  112    HG3  LYS  17           1HG      LYS  17  -9.969   1.042   0.477
  113    HD2  LYS  17           2HD      LYS  17  -8.298   3.163   1.851
  114    HD3  LYS  17           1HD      LYS  17  -8.971   3.283   0.224
  115    HE2  LYS  17           2HE      LYS  17 -11.089   2.524   2.006
  116    HE3  LYS  17           1HE      LYS  17 -10.262   3.944   2.680
  117    HZ1  LYS  17           3HZ      LYS  17 -11.987   4.505   1.000
  118    HZ2  LYS  17           1HZ      LYS  17 -11.073   3.683  -0.168
  119    HZ3  LYS  17           2HZ      LYS  17 -10.436   5.063   0.592
  120    H    GLN  18           H        GLN  18  -9.085  -1.510   0.113
  121    HA   GLN  18           HA       GLN  18 -11.338  -0.770  -1.449
  122    HB2  GLN  18           2HB      GLN  18  -9.273  -2.977  -1.720
  123    HB3  GLN  18           1HB      GLN  18 -10.346  -2.471  -3.027
  124    HG2  GLN  18           2HG      GLN  18  -8.270  -0.782  -1.603
  125    HG3  GLN  18           1HG      GLN  18  -8.242  -1.303  -3.292
  126   HE21  GLN  18          1HE2      GLN  18  -8.215   1.493  -2.415
  127   HE22  GLN  18          2HE2      GLN  18  -9.636   2.213  -3.003
  128    H    ASP  19           H        ASP  19 -10.954  -3.272   0.865
  129    HA   ASP  19           HA       ASP  19 -12.595  -4.726   1.754
  130    HB2  ASP  19           2HB      ASP  19 -14.008  -2.873   0.278
  131    HB3  ASP  19           1HB      ASP  19 -14.510  -4.404  -0.451
  132    H    LEU  20           H        LEU  20 -10.692  -6.142   0.687
  133    HA   LEU  20           HA       LEU  20 -12.092  -8.126  -1.064
  134    HB2  LEU  20           2HB      LEU  20  -9.464  -8.344  -1.846
  135    HB3  LEU  20           1HB      LEU  20 -10.693  -7.458  -2.734
  136    HG   LEU  20           HG       LEU  20  -9.020  -6.178  -0.567
  137   HD11  LEU  20          1HD1      LEU  20  -7.869  -7.178  -2.784
  138   HD12  LEU  20          2HD1      LEU  20  -7.357  -5.657  -2.060
  139   HD13  LEU  20          3HD1      LEU  20  -8.454  -5.654  -3.439
  140   HD21  LEU  20          3HD2      LEU  20 -11.287  -5.409  -2.044
  141   HD22  LEU  20          1HD2      LEU  20  -9.934  -4.531  -2.756
  142   HD23  LEU  20          2HD2      LEU  20 -10.275  -4.378  -1.035
  143    H    SER  21           H        SER  21  -9.036  -7.676   0.780
  144    HA   SER  21           HA       SER  21  -9.541  -9.655   2.740
  145    HB2  SER  21           2HB      SER  21  -9.156 -10.670   0.097
  146    HB3  SER  21           1HB      SER  21  -7.760 -11.146   1.061
  147    HG   SER  21           HG       SER  21  -9.166 -12.670   1.596
  148    H    LYS  22           H        LYS  22  -7.512 -10.317   3.886
  149    HA   LYS  22           HA       LYS  22  -5.634  -8.166   4.117
  150    HB2  LYS  22           2HB      LYS  22  -6.225  -9.786   5.893
  151    HB3  LYS  22           1HB      LYS  22  -5.471 -11.080   4.962
  152    HG2  LYS  22           2HG      LYS  22  -3.418 -10.519   5.705
  153    HG3  LYS  22           1HG      LYS  22  -3.662  -8.828   5.265
  154    HD2  LYS  22           2HD      LYS  22  -3.476  -8.624   7.567
  155    HD3  LYS  22           1HD      LYS  22  -5.221  -8.842   7.413
  156    HE2  LYS  22           2HE      LYS  22  -4.863 -10.514   8.955
  157    HE3  LYS  22           1HE      LYS  22  -4.389 -11.448   7.522
  158    HZ1  LYS  22           3HZ      LYS  22  -2.121 -10.615   7.795
  159    HZ2  LYS  22           1HZ      LYS  22  -2.621 -11.491   9.158
  160    HZ3  LYS  22           2HZ      LYS  22  -2.585  -9.794   9.208
  161    H    ASP  23           H        ASP  23  -5.375 -11.379   2.569
  162    HA   ASP  23           HA       ASP  23  -2.662 -10.978   1.629
  163    HB2  ASP  23           2HB      ASP  23  -3.073 -13.069   0.493
  164    HB3  ASP  23           1HB      ASP  23  -3.917 -13.151   2.038
  165    H    TRP  24           H        TRP  24  -5.894 -10.495   0.228
  166    HA   TRP  24           HA       TRP  24  -5.322 -10.069  -2.468
  167    HB2  TRP  24           2HB      TRP  24  -7.402  -9.612  -0.653
  168    HB3  TRP  24           1HB      TRP  24  -7.070  -8.018  -1.337
  169    HD1  TRP  24           HD       TRP  24  -9.184 -10.821  -1.973
  170    HE1  TRP  24           1HE      TRP  24  -9.852 -11.016  -4.457
  171    HE3  TRP  24           3HE      TRP  24  -5.771  -7.658  -4.038
  172    HZ2  TRP  24           2HZ      TRP  24  -9.042  -9.955  -6.990
  173    HZ3  TRP  24           3HZ      TRP  24  -5.736  -7.258  -6.487
  174    HH2  TRP  24           HH       TRP  24  -7.370  -8.399  -7.964
  175    H    CYS  25           H        CYS  25  -4.821  -7.835   0.254
  176    HA   CYS  25           HA       CYS  25  -3.834  -5.667  -1.442
  177    HB2  CYS  25           2HB      CYS  25  -4.854  -4.948   0.543
  178    HB3  CYS  25           1HB      CYS  25  -4.190  -6.287   1.476
  179    H    CYS  26           H        CYS  26  -2.344  -8.000   0.840
  180    HA   CYS  26           HA       CYS  26   0.322  -7.248   0.784
  181    HB2  CYS  26           2HB      CYS  26  -1.118  -9.391   1.633
  182    HB3  CYS  26           1HB      CYS  26  -0.236 -10.127   0.296
  183    H    ASP  27           H        ASP  27  -1.484  -8.910  -1.780
  184    HA   ASP  27           HA       ASP  27   0.894  -9.154  -3.504
  185    HB2  ASP  27           2HB      ASP  27  -0.792 -10.893  -3.517
  186    HB3  ASP  27           1HB      ASP  27  -2.071  -9.717  -3.817
  187    H    PHE  28           H        PHE  28  -1.820  -6.988  -3.039
  188    HA   PHE  28           HA       PHE  28  -1.797  -5.662  -5.578
  189    HB2  PHE  28           2HB      PHE  28  -3.658  -5.377  -4.125
  190    HB3  PHE  28           1HB      PHE  28  -2.623  -4.944  -2.760
  191    HD1  PHE  28           1HD      PHE  28  -1.395  -2.746  -2.776
  192    HD2  PHE  28           2HD      PHE  28  -4.378  -3.735  -5.705
  193    HE1  PHE  28           1HE      PHE  28  -1.586  -0.351  -3.390
  194    HE2  PHE  28           2HE      PHE  28  -4.568  -1.339  -6.319
  195    HZ   PHE  28           HZ       PHE  28  -3.172   0.353  -5.162
  196    H    VAL  29           H        VAL  29  -0.123  -4.914  -2.501
  197    HA   VAL  29           HA       VAL  29   1.160  -2.517  -3.350
  198    HB   VAL  29           HB       VAL  29   2.507  -2.843  -1.401
  199   HG11  VAL  29          1HG1      VAL  29   0.453  -4.493  -0.235
  200   HG12  VAL  29          2HG1      VAL  29  -0.276  -3.354  -1.367
  201   HG13  VAL  29          3HG1      VAL  29   0.721  -2.761  -0.037
  202   HG21  VAL  29          3HG2      VAL  29   2.048  -5.757  -1.994
  203   HG22  VAL  29          1HG2      VAL  29   2.470  -5.245  -0.359
  204   HG23  VAL  29          2HG2      VAL  29   3.567  -4.910  -1.699
  205    H    LYS  30           H        LYS  30   1.927  -5.904  -3.936
  206    HA   LYS  30           HA       LYS  30   4.606  -5.338  -4.993
  207    HB2  LYS  30           2HB      LYS  30   4.164  -7.435  -3.879
  208    HB3  LYS  30           1HB      LYS  30   2.772  -7.749  -4.916
  209    HG2  LYS  30           2HG      LYS  30   4.811  -7.373  -6.746
  210    HG3  LYS  30           1HG      LYS  30   5.624  -8.218  -5.428
  211    HD2  LYS  30           2HD      LYS  30   4.264 -10.101  -5.613
  212    HD3  LYS  30           1HD      LYS  30   2.951  -9.201  -6.375
  213    HE2  LYS  30           2HE      LYS  30   3.790 -10.244  -8.265
  214    HE3  LYS  30           1HE      LYS  30   4.878  -8.843  -8.247
  215    HZ1  LYS  30           3HZ      LYS  30   5.391 -11.600  -7.416
  216    HZ2  LYS  30           1HZ      LYS  30   6.125 -10.368  -6.511
  217    HZ3  LYS  30           2HZ      LYS  30   6.427 -10.489  -8.179
  218    H    ASP  31           H        ASP  31   1.337  -5.676  -6.243
  219    HA   ASP  31           HA       ASP  31   2.047  -6.077  -9.019
  220    HB2  ASP  31           2HB      ASP  31  -0.201  -6.245  -7.507
  221    HB3  ASP  31           1HB      ASP  31  -0.468  -4.679  -8.272
  222    H    ILE  32           H        ILE  32   2.026  -3.324  -6.919
  223    HA   ILE  32           HA       ILE  32   1.908  -1.391  -9.163
  224    HB   ILE  32           HB       ILE  32   1.947   0.240  -7.286
  225   HG12  ILE  32          2HG1      ILE  32   1.765  -1.957  -5.283
  226   HG13  ILE  32          1HG1      ILE  32   3.370  -1.613  -5.930
  227   HG21  ILE  32          1HG2      ILE  32   0.058  -2.109  -6.935
  228   HG22  ILE  32          2HG2      ILE  32  -0.205  -0.702  -7.964
  229   HG23  ILE  32          3HG2      ILE  32  -0.176  -0.520  -6.209
  230   HD11  ILE  32          3HD1      ILE  32   2.780  -0.285  -3.862
  231   HD12  ILE  32          1HD1      ILE  32   1.527   0.515  -4.811
  232   HD13  ILE  32          2HD1      ILE  32   3.223   0.701  -5.255
  233    H    ARG  33           H        ARG  33   4.217  -3.389  -8.398
  234    HA   ARG  33           HA       ARG  33   6.551  -3.317  -8.816
  235    HB2  ARG  33           2HB      ARG  33   5.456  -1.053 -10.023
  236    HB3  ARG  33           1HB      ARG  33   6.763  -0.410  -9.027
  237    HG2  ARG  33           2HG      ARG  33   8.093  -0.989 -10.774
  238    HG3  ARG  33           1HG      ARG  33   7.948  -2.624 -10.128
  239    HD2  ARG  33           2HD      ARG  33   5.608  -2.198 -11.660
  240    HD3  ARG  33           1HD      ARG  33   6.961  -1.606 -12.643
  241    HE   ARG  33           HE       ARG  33   6.511  -4.374 -11.896
  242   HH11  ARG  33          1HH2      ARG  33   8.886  -1.934 -12.475
  243   HH12  ARG  33          2HH2      ARG  33  10.114  -3.059 -12.947
  244   HH21  ARG  33          1HH1      ARG  33   8.105  -5.851 -12.514
  245   HH22  ARG  33          2HH1      ARG  33   9.673  -5.273 -12.970
  246    H    MET  34           H        MET  34   5.111  -2.575  -6.130
  247    HA   MET  34           HA       MET  34   7.371  -1.121  -4.822
  248    HB2  MET  34           2HB      MET  34   4.457  -1.476  -4.414
  249    HB3  MET  34           1HB      MET  34   5.420  -1.419  -2.937
  250    HG2  MET  34           2HG      MET  34   5.612   0.633  -5.160
  251    HG3  MET  34           1HG      MET  34   4.619   0.837  -3.712
  252    HE1  MET  34           3HE      MET  34   5.847   2.331  -1.591
  253    HE2  MET  34           1HE      MET  34   5.444   2.803  -3.248
  254    HE3  MET  34           2HE      MET  34   7.000   3.253  -2.554
  255    H    ASN  35           H        ASN  35   8.070  -2.008  -2.671
  256    HA   ASN  35           HA       ASN  35   8.253  -4.977  -2.789
  257    HB2  ASN  35           2HB      ASN  35  10.078  -2.955  -2.403
  258    HB3  ASN  35           1HB      ASN  35   9.751  -3.465  -0.747
  259   HD21  ASN  35          1HD2      ASN  35  12.259  -3.940  -2.254
  260   HD22  ASN  35          2HD2      ASN  35  12.445  -5.634  -2.346
  261    HA   PRO  36           HA       PRO  36   5.221  -4.903   0.511
  262    HB2  PRO  36           2HB      PRO  36   4.922  -7.615   0.649
  263    HB3  PRO  36           1HB      PRO  36   4.128  -6.617  -0.586
  264    HG2  PRO  36           2HG      PRO  36   6.552  -8.324  -0.799
  265    HG3  PRO  36           1HG      PRO  36   5.275  -8.021  -1.986
  266    HD2  PRO  36           2HD      PRO  36   7.749  -6.838  -2.054
  267    HD3  PRO  36           1HD      PRO  36   6.287  -6.136  -2.781
  268    HA   PRO  37           HA       PRO  37   8.001  -5.769   3.816
  269    HB2  PRO  37           2HB      PRO  37   6.244  -5.471   5.889
  270    HB3  PRO  37           1HB      PRO  37   6.897  -4.099   4.974
  271    HG2  PRO  37           2HG      PRO  37   4.230  -5.376   4.817
  272    HG3  PRO  37           1HG      PRO  37   4.691  -3.687   4.573
  273    HD2  PRO  37           2HD      PRO  37   4.144  -5.509   2.553
  274    HD3  PRO  37           1HD      PRO  37   5.046  -3.990   2.353
  275    H    ALA  38           H        ALA  38   8.615  -7.636   4.920
  276    HA   ALA  38           HA       ALA  38   6.865 -10.005   4.653
  277    HB1  ALA  38           1HB      ALA  38   8.919 -10.893   4.343
  278    HB2  ALA  38           2HB      ALA  38   9.285 -10.560   6.036
  279    HB3  ALA  38           3HB      ALA  38   9.672  -9.365   4.799
  280    H    ASP  39           H        ASP  39   8.143  -7.881   7.171
  281    HA   ASP  39           HA       ASP  39   7.130  -9.601   9.344
  282    HB2  ASP  39           2HB      ASP  39   8.485  -6.892   9.188
  283    HB3  ASP  39           1HB      ASP  39   8.041  -7.666  10.710
  284    H    LYS  40           H        LYS  40   6.024  -6.934   7.416
  285    HA   LYS  40           HA       LYS  40   3.922  -6.201   9.390
  286    HB2  LYS  40           2HB      LYS  40   5.323  -4.520   8.133
  287    HB3  LYS  40           1HB      LYS  40   4.556  -5.075   6.645
  288    HG2  LYS  40           2HG      LYS  40   2.797  -3.732   7.043
  289    HG3  LYS  40           1HG      LYS  40   2.497  -4.573   8.565
  290    HD2  LYS  40           2HD      LYS  40   4.747  -2.629   8.548
  291    HD3  LYS  40           1HD      LYS  40   3.121  -1.951   8.456
  292    HE2  LYS  40           2HE      LYS  40   2.584  -2.615  10.592
  293    HE3  LYS  40           1HE      LYS  40   3.543  -4.104  10.477
  294    HZ1  LYS  40           3HZ      LYS  40   4.750  -1.394  10.533
  295    HZ2  LYS  40           1HZ      LYS  40   5.546  -2.883  10.690
  296    HZ3  LYS  40           2HZ      LYS  40   4.525  -2.332  11.931
  297    H    CYS  41           H        CYS  41   4.362  -7.929   6.372
  298    HA   CYS  41           HA       CYS  41   1.407  -8.449   6.295
  299    HB2  CYS  41           2HB      CYS  41   2.598  -6.924   4.515
  300    HB3  CYS  41           1HB      CYS  41   3.185  -8.459   3.864
  301    HA   PRO  42           HA       PRO  42   4.081 -12.330   6.392
  302    HB2  PRO  42           2HB      PRO  42   3.375 -13.222   8.881
  303    HB3  PRO  42           1HB      PRO  42   4.764 -12.155   8.596
  304    HG2  PRO  42           2HG      PRO  42   2.049 -11.496   9.610
  305    HG3  PRO  42           1HG      PRO  42   3.621 -10.830  10.074
  306    HD2  PRO  42           2HD      PRO  42   1.849  -9.561   8.413
  307    HD3  PRO  42           1HD      PRO  42   3.606  -9.284   8.395
  Start of MODEL    3
    1    H1   ILE   1           H        ILE   1   6.449  10.466  -6.582
    2    HA   ILE   1           HA       ILE   1   4.203  10.272  -8.442
    3    HB   ILE   1           HB       ILE   1   4.267   7.635  -7.884
    4   HG12  ILE   1          2HG1      ILE   1   6.588   6.808  -8.106
    5   HG13  ILE   1          1HG1      ILE   1   7.184   8.466  -8.065
    6   HG21  ILE   1          1HG2      ILE   1   6.041   8.062 -10.111
    7   HG22  ILE   1          2HG2      ILE   1   4.796   9.311 -10.101
    8   HG23  ILE   1          3HG2      ILE   1   4.337   7.608 -10.128
    9   HD11  ILE   1          3HD1      ILE   1   6.564   8.763  -5.809
   10   HD12  ILE   1          1HD1      ILE   1   7.208   7.123  -5.850
   11   HD13  ILE   1          2HD1      ILE   1   5.465   7.383  -5.838
   12    HA   PRO   2           HA       PRO   2   3.243  10.295  -3.902
   13    HB2  PRO   2           2HB      PRO   2   2.000  12.731  -3.848
   14    HB3  PRO   2           1HB      PRO   2   3.751  12.540  -3.622
   15    HG2  PRO   2           2HG      PRO   2   2.240  13.458  -5.999
   16    HG3  PRO   2           1HG      PRO   2   3.841  13.938  -5.420
   17    HD2  PRO   2           2HD      PRO   2   3.351  12.184  -7.513
   18    HD3  PRO   2           1HD      PRO   2   4.881  12.314  -6.616
   19    H    TYR   3           H        TYR   3   1.680   8.617  -4.482
   20    HA   TYR   3           HA       TYR   3  -1.009   9.718  -5.203
   21    HB2  TYR   3           2HB      TYR   3  -0.976   8.382  -7.023
   22    HB3  TYR   3           1HB      TYR   3   0.691   7.962  -6.630
   23    HD1  TYR   3           1HD      TYR   3  -2.808   7.079  -5.580
   24    HD2  TYR   3           2HD      TYR   3   1.202   5.713  -6.292
   25    HE1  TYR   3           1HE      TYR   3  -3.516   4.750  -5.097
   26    HE2  TYR   3           2HE      TYR   3   0.495   3.387  -5.806
   27    HH   TYR   3           HH       TYR   3  -1.232   2.190  -4.679
   28    H    CYS   4           H        CYS   4   0.846   7.828  -3.015
   29    HA   CYS   4           HA       CYS   4  -1.435   7.460  -1.246
   30    HB2  CYS   4           2HB      CYS   4  -1.540   5.019  -1.415
   31    HB3  CYS   4           1HB      CYS   4  -1.804   5.730  -3.007
   32    H    GLY   5           H        GLY   5   1.883   6.487  -2.092
   33    HA2  GLY   5           2HA      GLY   5   2.929   7.217   0.464
   34    HA3  GLY   5           1HA      GLY   5   2.663   5.470   0.440
   35    H    GLN   6           H        GLN   6   5.176   7.215   0.390
   36    HA   GLN   6           HA       GLN   6   6.466   6.893  -2.160
   37    HB2  GLN   6           2HB      GLN   6   8.528   7.214  -0.675
   38    HB3  GLN   6           1HB      GLN   6   7.291   8.469  -0.544
   39    HG2  GLN   6           2HG      GLN   6   6.650   7.813   1.569
   40    HG3  GLN   6           1HG      GLN   6   7.057   6.121   1.282
   41   HE21  GLN   6          1HE2      GLN   6   9.104   9.060   0.883
   42   HE22  GLN   6          2HE2      GLN   6  10.311   8.546   1.975
   43    H    THR   7           H        THR   7   5.771   4.688   0.424
   44    HA   THR   7           HA       THR   7   7.529   2.627  -0.868
   45    HB   THR   7           HB       THR   7   7.651   1.673   1.462
   46    HG1  THR   7           1HG      THR   7   6.871   4.043   2.589
   47   HG21  THR   7          3HG2      THR   7   9.457   3.095   0.635
   48   HG22  THR   7          1HG2      THR   7   9.166   3.442   2.341
   49   HG23  THR   7          2HG2      THR   7   8.562   4.542   1.101
   50    H    GLY   8           H        GLY   8   6.637   0.334  -0.302
   51    HA2  GLY   8           2HA      GLY   8   3.842   0.247  -1.138
   52    HA3  GLY   8           1HA      GLY   8   4.868  -1.153  -0.804
   53    H    ALA   9           H        ALA   9   5.543   0.180   1.879
   54    HA   ALA   9           HA       ALA   9   3.480  -1.179   3.425
   55    HB1  ALA   9           1HB      ALA   9   5.765   0.668   4.194
   56    HB2  ALA   9           2HB      ALA   9   5.866  -1.087   4.049
   57    HB3  ALA   9           3HB      ALA   9   4.871  -0.364   5.312
   58    H    GLU  10           H        GLU  10   3.920   2.045   2.229
   59    HA   GLU  10           HA       GLU  10   2.271   3.356   4.264
   60    HB2  GLU  10           2HB      GLU  10   3.448   4.121   1.581
   61    HB3  GLU  10           1HB      GLU  10   2.475   5.240   2.538
   62    HG2  GLU  10           2HG      GLU  10   4.545   3.912   4.127
   63    HG3  GLU  10           1HG      GLU  10   5.212   4.857   2.791
   64    H    CYS  11           H        CYS  11   1.817   2.363   0.851
   65    HA   CYS  11           HA       CYS  11  -0.992   3.208   0.851
   66    HB2  CYS  11           2HB      CYS  11   0.473   1.449  -1.134
   67    HB3  CYS  11           1HB      CYS  11  -0.905   2.505  -1.441
   68    H    TYR  12           H        TYR  12   0.763   0.360   1.730
   69    HA   TYR  12           HA       TYR  12  -0.889  -1.797   1.189
   70    HB2  TYR  12           2HB      TYR  12   0.924  -2.427   2.423
   71    HB3  TYR  12           1HB      TYR  12   0.950  -0.926   3.336
   72    HD1  TYR  12           1HD      TYR  12  -0.546  -4.326   3.126
   73    HD2  TYR  12           2HD      TYR  12  -0.234  -0.698   5.417
   74    HE1  TYR  12           1HE      TYR  12  -1.625  -5.445   5.062
   75    HE2  TYR  12           2HE      TYR  12  -1.308  -1.819   7.345
   76    HH   TYR  12           HH       TYR  12  -2.686  -5.035   7.068
   77    H    SER  13           H        SER  13  -1.431   0.812   3.455
   78    HA   SER  13           HA       SER  13  -3.623  -0.340   4.908
   79    HB2  SER  13           2HB      SER  13  -2.057   1.737   5.292
   80    HB3  SER  13           1HB      SER  13  -3.304   2.603   4.399
   81    HG   SER  13           HG       SER  13  -3.314   1.929   6.937
   82    H    TRP  14           H        TRP  14  -3.539   1.633   1.925
   83    HA   TRP  14           HA       TRP  14  -6.410   2.026   1.817
   84    HB2  TRP  14           2HB      TRP  14  -4.878   3.509   0.679
   85    HB3  TRP  14           1HB      TRP  14  -4.176   2.163  -0.227
   86    HD1  TRP  14           HD       TRP  14  -7.304   4.344  -0.017
   87    HE1  TRP  14           1HE      TRP  14  -8.672   4.046  -2.181
   88    HE3  TRP  14           3HE      TRP  14  -4.688   0.538  -2.197
   89    HZ2  TRP  14           2HZ      TRP  14  -8.658   2.411  -4.530
   90    HZ3  TRP  14           3HZ      TRP  14  -5.385  -0.369  -4.395
   91    HH2  TRP  14           HH       TRP  14  -7.365   0.563  -5.563
   92    H    CYS  15           H        CYS  15  -4.324   0.013  -0.303
   93    HA   CYS  15           HA       CYS  15  -6.212  -1.414  -1.715
   94    HB2  CYS  15           2HB      CYS  15  -4.499  -3.365  -1.404
   95    HB3  CYS  15           1HB      CYS  15  -3.936  -1.866  -2.139
   96    H    ILE  16           H        ILE  16  -5.170  -2.141   1.623
   97    HA   ILE  16           HA       ILE  16  -7.033  -4.384   1.887
   98    HB   ILE  16           HB       ILE  16  -5.391  -2.820   3.901
   99   HG12  ILE  16          2HG1      ILE  16  -4.808  -5.042   1.976
  100   HG13  ILE  16          1HG1      ILE  16  -3.780  -3.704   2.478
  101   HG21  ILE  16          1HG2      ILE  16  -6.447  -5.649   4.119
  102   HG22  ILE  16          2HG2      ILE  16  -7.333  -4.260   4.748
  103   HG23  ILE  16          3HG2      ILE  16  -5.740  -4.655   5.393
  104   HD11  ILE  16          3HD1      ILE  16  -3.603  -4.801   4.745
  105   HD12  ILE  16          1HD1      ILE  16  -2.869  -5.726   3.435
  106   HD13  ILE  16          2HD1      ILE  16  -4.448  -6.192   4.067
  107    H    LYS  17           H        LYS  17  -7.230  -0.965   2.233
  108    HA   LYS  17           HA       LYS  17  -9.054  -0.542   4.312
  109    HB2  LYS  17           2HB      LYS  17  -7.950   1.192   2.970
  110    HB3  LYS  17           1HB      LYS  17  -8.897   0.720   1.560
  111    HG2  LYS  17           2HG      LYS  17 -10.767   1.768   2.298
  112    HG3  LYS  17           1HG      LYS  17 -10.484   1.313   3.978
  113    HD2  LYS  17           2HD      LYS  17  -8.403   3.042   3.510
  114    HD3  LYS  17           1HD      LYS  17  -9.688   3.755   2.537
  115    HE2  LYS  17           2HE      LYS  17  -9.977   4.738   4.686
  116    HE3  LYS  17           1HE      LYS  17 -11.173   3.427   4.659
  117    HZ1  LYS  17           3HZ      LYS  17  -8.438   3.331   5.813
  118    HZ2  LYS  17           1HZ      LYS  17  -9.420   1.964   5.604
  119    HZ3  LYS  17           2HZ      LYS  17  -9.910   3.207   6.654
  120    H    GLN  18           H        GLN  18  -9.614  -2.299   1.355
  121    HA   GLN  18           HA       GLN  18 -12.531  -1.876   1.417
  122    HB2  GLN  18           2HB      GLN  18 -10.832  -3.824  -0.174
  123    HB3  GLN  18           1HB      GLN  18 -12.470  -3.293  -0.559
  124    HG2  GLN  18           2HG      GLN  18 -10.294  -1.249  -0.246
  125    HG3  GLN  18           1HG      GLN  18 -10.421  -2.156  -1.755
  126   HE21  GLN  18          1HE2      GLN  18 -11.044   0.774  -1.182
  127   HE22  GLN  18          2HE2      GLN  18 -12.645   0.981  -1.708
  128    H    ASP  19           H        ASP  19 -10.740  -3.368   3.558
  129    HA   ASP  19           HA       ASP  19 -10.866  -5.376   4.827
  130    HB2  ASP  19           2HB      ASP  19 -13.118  -5.567   5.741
  131    HB3  ASP  19           1HB      ASP  19 -12.769  -3.857   5.469
  132    H    LEU  20           H        LEU  20 -10.065  -6.590   2.799
  133    HA   LEU  20           HA       LEU  20 -12.152  -8.583   2.036
  134    HB2  LEU  20           2HB      LEU  20 -11.325  -8.468  -0.290
  135    HB3  LEU  20           1HB      LEU  20 -11.921  -6.907   0.258
  136    HG   LEU  20           HG       LEU  20  -8.983  -7.655   0.369
  137   HD11  LEU  20          1HD1      LEU  20  -8.950  -7.469  -1.876
  138   HD12  LEU  20          2HD1      LEU  20  -9.421  -5.781  -1.675
  139   HD13  LEU  20          3HD1      LEU  20 -10.654  -7.019  -1.915
  140   HD21  LEU  20          3HD2      LEU  20 -10.620  -5.361   1.143
  141   HD22  LEU  20          1HD2      LEU  20  -9.338  -4.911   0.018
  142   HD23  LEU  20          2HD2      LEU  20  -8.938  -5.715   1.535
  143    H    SER  21           H        SER  21  -8.773  -7.896   2.727
  144    HA   SER  21           HA       SER  21  -8.146 -10.469   3.664
  145    HB2  SER  21           2HB      SER  21  -8.471 -11.572   1.667
  146    HB3  SER  21           1HB      SER  21  -8.130 -10.139   0.703
  147    HG   SER  21           HG       SER  21  -6.451 -11.659   0.532
  148    H    LYS  22           H        LYS  22  -5.860 -10.728   4.112
  149    HA   LYS  22           HA       LYS  22  -4.360  -8.182   4.132
  150    HB2  LYS  22           2HB      LYS  22  -3.416 -10.899   5.073
  151    HB3  LYS  22           1HB      LYS  22  -2.991  -9.312   5.716
  152    HG2  LYS  22           2HG      LYS  22  -5.659  -9.235   6.111
  153    HG3  LYS  22           1HG      LYS  22  -5.404 -10.978   6.223
  154    HD2  LYS  22           2HD      LYS  22  -4.451 -10.781   8.255
  155    HD3  LYS  22           1HD      LYS  22  -3.345  -9.534   7.677
  156    HE2  LYS  22           2HE      LYS  22  -6.241  -8.869   8.231
  157    HE3  LYS  22           1HE      LYS  22  -5.036  -8.860   9.535
  158    HZ1  LYS  22           3HZ      LYS  22  -4.883  -7.365   6.970
  159    HZ2  LYS  22           1HZ      LYS  22  -3.624  -7.454   8.104
  160    HZ3  LYS  22           2HZ      LYS  22  -5.086  -6.697   8.520
  161    H    ASP  23           H        ASP  23  -4.267 -11.358   2.606
  162    HA   ASP  23           HA       ASP  23  -1.711 -10.960   1.267
  163    HB2  ASP  23           2HB      ASP  23  -3.754 -12.985   1.624
  164    HB3  ASP  23           1HB      ASP  23  -3.325 -12.863  -0.083
  165    H    TRP  24           H        TRP  24  -5.013 -10.092   0.778
  166    HA   TRP  24           HA       TRP  24  -5.317  -9.781  -1.982
  167    HB2  TRP  24           2HB      TRP  24  -7.194  -9.283  -0.700
  168    HB3  TRP  24           1HB      TRP  24  -6.252  -8.429   0.523
  169    HD1  TRP  24           HD       TRP  24  -7.164  -6.027   0.539
  170    HE1  TRP  24           1HE      TRP  24  -7.595  -4.228  -1.261
  171    HE3  TRP  24           3HE      TRP  24  -6.213  -8.748  -3.638
  172    HZ2  TRP  24           2HZ      TRP  24  -7.533  -3.986  -4.122
  173    HZ3  TRP  24           3HZ      TRP  24  -6.396  -7.731  -5.897
  174    HH2  TRP  24           HH       TRP  24  -7.057  -5.352  -6.142
  175    H    CYS  25           H        CYS  25  -3.962  -7.406   0.319
  176    HA   CYS  25           HA       CYS  25  -3.087  -5.635  -1.855
  177    HB2  CYS  25           2HB      CYS  25  -3.926  -4.823   0.331
  178    HB3  CYS  25           1HB      CYS  25  -2.569  -5.617   1.136
  179    H    CYS  26           H        CYS  26  -1.588  -7.983   0.342
  180    HA   CYS  26           HA       CYS  26   1.110  -7.409   0.186
  181    HB2  CYS  26           2HB      CYS  26  -0.602  -9.733   0.482
  182    HB3  CYS  26           1HB      CYS  26   0.894 -10.169  -0.341
  183    H    ASP  27           H        ASP  27  -0.830  -9.012  -2.354
  184    HA   ASP  27           HA       ASP  27   1.462  -9.091  -4.208
  185    HB2  ASP  27           2HB      ASP  27  -1.479  -9.716  -4.616
  186    HB3  ASP  27           1HB      ASP  27  -0.139 -10.258  -5.627
  187    H    PHE  28           H        PHE  28  -1.265  -7.030  -3.511
  188    HA   PHE  28           HA       PHE  28  -1.557  -5.714  -6.036
  189    HB2  PHE  28           2HB      PHE  28  -3.168  -5.632  -4.180
  190    HB3  PHE  28           1HB      PHE  28  -1.991  -4.774  -3.182
  191    HD1  PHE  28           1HD      PHE  28  -4.177  -4.536  -6.162
  192    HD2  PHE  28           2HD      PHE  28  -1.516  -2.433  -3.526
  193    HE1  PHE  28           1HE      PHE  28  -4.927  -2.377  -7.124
  194    HE2  PHE  28           2HE      PHE  28  -2.265  -0.275  -4.489
  195    HZ   PHE  28           HZ       PHE  28  -3.971  -0.247  -6.289
  196    H    VAL  29           H        VAL  29   0.349  -4.779  -3.140
  197    HA   VAL  29           HA       VAL  29   1.529  -2.460  -4.437
  198    HB   VAL  29           HB       VAL  29   2.743  -2.288  -2.360
  199   HG11  VAL  29          1HG1      VAL  29   0.650  -3.352  -0.846
  200   HG12  VAL  29          2HG1      VAL  29  -0.092  -2.974  -2.401
  201   HG13  VAL  29          3HG1      VAL  29   0.740  -1.714  -1.491
  202   HG21  VAL  29          3HG2      VAL  29   2.934  -4.147  -0.794
  203   HG22  VAL  29          1HG2      VAL  29   3.535  -4.665  -2.369
  204   HG23  VAL  29          2HG2      VAL  29   1.932  -5.164  -1.828
  205    H    LYS  30           H        LYS  30   2.434  -5.852  -4.100
  206    HA   LYS  30           HA       LYS  30   5.218  -5.557  -4.793
  207    HB2  LYS  30           2HB      LYS  30   4.780  -7.570  -3.776
  208    HB3  LYS  30           1HB      LYS  30   3.157  -7.669  -4.451
  209    HG2  LYS  30           2HG      LYS  30   4.210  -8.217  -6.684
  210    HG3  LYS  30           1HG      LYS  30   5.763  -8.324  -5.852
  211    HD2  LYS  30           2HD      LYS  30   4.979 -10.128  -4.463
  212    HD3  LYS  30           1HD      LYS  30   3.322  -9.913  -5.032
  213    HE2  LYS  30           2HE      LYS  30   5.190 -10.318  -7.250
  214    HE3  LYS  30           1HE      LYS  30   5.175 -11.686  -6.120
  215    HZ1  LYS  30           3HZ      LYS  30   3.392 -11.913  -7.730
  216    HZ2  LYS  30           1HZ      LYS  30   2.785 -10.385  -7.316
  217    HZ3  LYS  30           2HZ      LYS  30   2.748 -11.647  -6.179
  218    H    ASP  31           H        ASP  31   2.278  -5.592  -6.676
  219    HA   ASP  31           HA       ASP  31   3.578  -6.333  -9.196
  220    HB2  ASP  31           2HB      ASP  31   0.872  -5.497  -8.220
  221    HB3  ASP  31           1HB      ASP  31   1.204  -5.407  -9.950
  222    H    ILE  32           H        ILE  32   3.085  -3.377  -7.422
  223    HA   ILE  32           HA       ILE  32   3.477  -1.709  -9.853
  224    HB   ILE  32           HB       ILE  32   3.093   0.131  -8.151
  225   HG12  ILE  32          2HG1      ILE  32   2.320  -2.114  -6.285
  226   HG13  ILE  32          1HG1      ILE  32   3.940  -1.416  -6.254
  227   HG21  ILE  32          1HG2      ILE  32   0.888  -0.092  -8.587
  228   HG22  ILE  32          2HG2      ILE  32   0.784  -1.594  -7.667
  229   HG23  ILE  32          3HG2      ILE  32   1.302  -1.626  -9.353
  230   HD11  ILE  32          3HD1      ILE  32   2.666   0.872  -6.140
  231   HD12  ILE  32          1HD1      ILE  32   2.813  -0.102  -4.676
  232   HD13  ILE  32          2HD1      ILE  32   1.309  -0.116  -5.596
  233    H    ARG  33           H        ARG  33   5.687  -3.415  -8.880
  234    HA   ARG  33           HA       ARG  33   8.009  -3.222  -8.490
  235    HB2  ARG  33           2HB      ARG  33   7.170  -0.499  -9.502
  236    HB3  ARG  33           1HB      ARG  33   8.857  -0.874  -9.156
  237    HG2  ARG  33           2HG      ARG  33   8.923  -2.592 -10.800
  238    HG3  ARG  33           1HG      ARG  33   7.165  -2.626 -10.945
  239    HD2  ARG  33           2HD      ARG  33   7.554  -0.050 -11.605
  240    HD3  ARG  33           1HD      ARG  33   9.120  -0.703 -12.128
  241    HE   ARG  33           HE       ARG  33   6.525  -1.338 -13.318
  242   HH11  ARG  33          1HH2      ARG  33   9.757  -2.373 -12.674
  243   HH12  ARG  33          2HH2      ARG  33   9.806  -3.474 -14.009
  244   HH21  ARG  33          1HH1      ARG  33   6.580  -2.772 -15.061
  245   HH22  ARG  33          2HH1      ARG  33   8.013  -3.700 -15.358
  246    H    MET  34           H        MET  34   6.684  -3.226  -6.115
  247    HA   MET  34           HA       MET  34   8.122  -1.124  -4.540
  248    HB2  MET  34           2HB      MET  34   5.258  -2.077  -4.204
  249    HB3  MET  34           1HB      MET  34   6.071  -0.911  -3.161
  250    HG2  MET  34           2HG      MET  34   5.658  -0.549  -6.141
  251    HG3  MET  34           1HG      MET  34   4.646   0.183  -4.894
  252    HE1  MET  34           3HE      MET  34   6.398   2.700  -3.158
  253    HE2  MET  34           1HE      MET  34   7.169   1.213  -2.588
  254    HE3  MET  34           2HE      MET  34   5.455   1.221  -2.994
  255    H    ASN  35           H        ASN  35   7.747  -1.867  -2.037
  256    HA   ASN  35           HA       ASN  35   8.379  -4.802  -1.937
  257    HB2  ASN  35           2HB      ASN  35   9.888  -4.144  -0.054
  258    HB3  ASN  35           1HB      ASN  35  10.329  -3.363  -1.573
  259   HD21  ASN  35          1HD2      ASN  35   9.272  -2.791   1.692
  260   HD22  ASN  35          2HD2      ASN  35   9.152  -1.093   1.573
  261    HA   PRO  36           HA       PRO  36   4.724  -4.452   0.685
  262    HB2  PRO  36           2HB      PRO  36   4.211  -7.136   0.720
  263    HB3  PRO  36           1HB      PRO  36   3.725  -6.077  -0.620
  264    HG2  PRO  36           2HG      PRO  36   6.033  -7.941  -0.424
  265    HG3  PRO  36           1HG      PRO  36   4.997  -7.568  -1.810
  266    HD2  PRO  36           2HD      PRO  36   7.507  -6.539  -1.472
  267    HD3  PRO  36           1HD      PRO  36   6.223  -5.731  -2.397
  268    HA   PRO  37           HA       PRO  37   6.736  -5.545   4.441
  269    HB2  PRO  37           2HB      PRO  37   4.590  -5.376   6.129
  270    HB3  PRO  37           1HB      PRO  37   5.397  -3.950   5.449
  271    HG2  PRO  37           2HG      PRO  37   2.841  -5.230   4.663
  272    HG3  PRO  37           1HG      PRO  37   3.305  -3.524   4.646
  273    HD2  PRO  37           2HD      PRO  37   3.219  -5.163   2.422
  274    HD3  PRO  37           1HD      PRO  37   4.152  -3.654   2.543
  275    H    ALA  38           H        ALA  38   7.088  -7.448   5.621
  276    HA   ALA  38           HA       ALA  38   5.560  -9.831   4.789
  277    HB1  ALA  38           1HB      ALA  38   7.604 -10.162   6.847
  278    HB2  ALA  38           2HB      ALA  38   8.192  -9.197   5.493
  279    HB3  ALA  38           3HB      ALA  38   7.558 -10.818   5.211
  280    H    ASP  39           H        ASP  39   4.444  -7.673   6.686
  281    HA   ASP  39           HA       ASP  39   4.151  -9.163   9.225
  282    HB2  ASP  39           2HB      ASP  39   3.064  -6.515   8.210
  283    HB3  ASP  39           1HB      ASP  39   2.938  -7.092   9.873
  284    H    LYS  40           H        LYS  40   2.034  -7.934   6.601
  285    HA   LYS  40           HA       LYS  40  -0.184  -9.628   7.651
  286    HB2  LYS  40           2HB      LYS  40  -0.249  -7.671   5.348
  287    HB3  LYS  40           1HB      LYS  40  -1.586  -8.192   6.371
  288    HG2  LYS  40           2HG      LYS  40   0.718  -6.381   7.109
  289    HG3  LYS  40           1HG      LYS  40  -1.005  -6.017   7.143
  290    HD2  LYS  40           2HD      LYS  40  -0.848  -8.232   8.778
  291    HD3  LYS  40           1HD      LYS  40   0.649  -7.376   9.153
  292    HE2  LYS  40           2HE      LYS  40  -1.853  -5.744   8.970
  293    HE3  LYS  40           1HE      LYS  40  -1.627  -6.758  10.409
  294    HZ1  LYS  40           3HZ      LYS  40   0.806  -5.799  10.188
  295    HZ2  LYS  40           1HZ      LYS  40  -0.400  -4.965  11.040
  296    HZ3  LYS  40           2HZ      LYS  40  -0.018  -4.510   9.449
  297    H    CYS  41           H        CYS  41   2.314 -10.477   5.971
  298    HA   CYS  41           HA       CYS  41   0.846 -11.678   3.655
  299    HB2  CYS  41           2HB      CYS  41   3.348 -10.372   4.010
  300    HB3  CYS  41           1HB      CYS  41   3.703 -12.060   3.626
  301    HA   PRO  42           HA       PRO  42   1.431 -15.170   6.600
  302    HB2  PRO  42           2HB      PRO  42  -0.965 -16.361   6.016
  303    HB3  PRO  42           1HB      PRO  42  -0.796 -15.072   7.225
  304    HG2  PRO  42           2HG      PRO  42  -1.774 -14.918   4.418
  305    HG3  PRO  42           1HG      PRO  42  -2.358 -14.080   5.864
  306    HD2  PRO  42           2HD      PRO  42  -0.766 -12.907   3.985
  307    HD3  PRO  42           1HD      PRO  42  -0.789 -12.422   5.698
  Start of MODEL    4
    1    H1   ILE   1           H        ILE   1   2.646  12.795   9.494
    2    HA   ILE   1           HA       ILE   1   0.061  13.385   8.111
    3    HB   ILE   1           HB       ILE   1   2.989  13.539   7.405
    4   HG12  ILE   1          2HG1      ILE   1   2.263  15.870   6.757
    5   HG13  ILE   1          1HG1      ILE   1   0.665  15.486   7.400
    6   HG21  ILE   1          1HG2      ILE   1   0.647  13.780   5.492
    7   HG22  ILE   1          2HG2      ILE   1   1.813  12.457   5.512
    8   HG23  ILE   1          3HG2      ILE   1   2.339  14.088   5.096
    9   HD11  ILE   1          3HD1      ILE   1   1.354  15.706   9.546
   10   HD12  ILE   1          1HD1      ILE   1   2.751  16.540   8.868
   11   HD13  ILE   1          2HD1      ILE   1   2.849  14.820   9.247
   12    HA   PRO   2           HA       PRO   2   0.300   8.919   7.490
   13    HB2  PRO   2           2HB      PRO   2  -2.371   8.613   6.999
   14    HB3  PRO   2           1HB      PRO   2  -1.697   8.725   8.639
   15    HG2  PRO   2           2HG      PRO   2  -3.123  10.770   7.036
   16    HG3  PRO   2           1HG      PRO   2  -3.126  10.497   8.783
   17    HD2  PRO   2           2HD      PRO   2  -1.691  12.476   7.483
   18    HD3  PRO   2           1HD      PRO   2  -1.337  11.861   9.113
   19    H    TYR   3           H        TYR   3   1.434   9.981   5.430
   20    HA   TYR   3           HA       TYR   3  -0.382   9.705   3.066
   21    HB2  TYR   3           2HB      TYR   3   0.956  11.327   2.023
   22    HB3  TYR   3           1HB      TYR   3   0.992  11.852   3.708
   23    HD1  TYR   3           2HD      TYR   3   2.955  11.029   5.172
   24    HD2  TYR   3           1HD      TYR   3   2.952  10.823   0.882
   25    HE1  TYR   3           2HE      TYR   3   5.425  10.818   5.180
   26    HE2  TYR   3           1HE      TYR   3   5.423  10.616   0.891
   27    HH   TYR   3           HH       TYR   3   7.316  11.246   2.447
   28    H    CYS   4           H        CYS   4   0.466   8.517   1.220
   29    HA   CYS   4           HA       CYS   4   2.012   6.161   1.983
   30    HB2  CYS   4           2HB      CYS   4   0.280   7.117  -0.183
   31    HB3  CYS   4           1HB      CYS   4   1.627   6.140  -0.766
   32    H    GLY   5           H        GLY   5   4.090   7.039   2.445
   33    HA2  GLY   5           2HA      GLY   5   5.568   8.769   0.718
   34    HA3  GLY   5           1HA      GLY   5   6.280   7.716   1.944
   35    H    GLN   6           H        GLN   6   4.780   7.483  -1.297
   36    HA   GLN   6           HA       GLN   6   5.220   5.901  -3.028
   37    HB2  GLN   6           2HB      GLN   6   7.435   7.599  -2.260
   38    HB3  GLN   6           1HB      GLN   6   8.037   6.089  -2.952
   39    HG2  GLN   6           2HG      GLN   6   5.956   6.715  -4.646
   40    HG3  GLN   6           1HG      GLN   6   6.607   8.307  -4.252
   41   HE21  GLN   6          1HE2      GLN   6   7.293   8.212  -6.649
   42   HE22  GLN   6          2HE2      GLN   6   8.781   7.459  -7.007
   43    H    THR   7           H        THR   7   4.838   4.490  -0.597
   44    HA   THR   7           HA       THR   7   6.837   2.283  -0.928
   45    HB   THR   7           HB       THR   7   6.388   2.122   1.685
   46    HG1  THR   7           1HG      THR   7   6.366   4.598   2.173
   47   HG21  THR   7          3HG2      THR   7   8.221   4.078   1.827
   48   HG22  THR   7          1HG2      THR   7   8.251   3.806   0.085
   49   HG23  THR   7          2HG2      THR   7   8.603   2.477   1.190
   50    H    GLY   8           H        GLY   8   5.947   0.196  -0.711
   51    HA2  GLY   8           2HA      GLY   8   3.123  -0.079  -1.211
   52    HA3  GLY   8           1HA      GLY   8   4.238  -1.408  -0.877
   53    H    ALA   9           H        ALA   9   5.103  -1.055   1.619
   54    HA   ALA   9           HA       ALA   9   3.071  -1.928   3.327
   55    HB1  ALA   9           1HB      ALA   9   4.880  -2.039   4.676
   56    HB2  ALA   9           2HB      ALA   9   4.990  -0.281   4.734
   57    HB3  ALA   9           3HB      ALA   9   5.795  -1.171   3.442
   58    H    GLU  10           H        GLU  10   3.914   1.375   2.426
   59    HA   GLU  10           HA       GLU  10   2.470   2.770   4.472
   60    HB2  GLU  10           2HB      GLU  10   3.743   3.262   1.864
   61    HB3  GLU  10           1HB      GLU  10   2.414   4.362   2.221
   62    HG2  GLU  10           2HG      GLU  10   4.834   3.828   3.967
   63    HG3  GLU  10           1HG      GLU  10   4.479   5.314   3.081
   64    H    CYS  11           H        CYS  11   1.526   1.990   1.101
   65    HA   CYS  11           HA       CYS  11  -1.222   2.881   1.515
   66    HB2  CYS  11           2HB      CYS  11   0.003   1.187  -0.685
   67    HB3  CYS  11           1HB      CYS  11  -1.476   2.141  -0.791
   68    H    TYR  12           H        TYR  12   0.511  -0.143   1.824
   69    HA   TYR  12           HA       TYR  12  -1.317  -2.168   1.516
   70    HB2  TYR  12           2HB      TYR  12   0.838  -2.660   2.338
   71    HB3  TYR  12           1HB      TYR  12   0.689  -1.522   3.675
   72    HD1  TYR  12           2HD      TYR  12  -1.784  -4.087   2.535
   73    HD2  TYR  12           1HD      TYR  12   0.992  -2.876   5.583
   74    HE1  TYR  12           2HE      TYR  12  -2.614  -5.897   4.014
   75    HE2  TYR  12           1HE      TYR  12   0.160  -4.684   7.061
   76    HH   TYR  12           HH       TYR  12  -1.721  -6.089   7.359
   77    H    SER  13           H        SER  13  -1.368   0.301   4.037
   78    HA   SER  13           HA       SER  13  -3.493  -0.958   5.592
   79    HB2  SER  13           2HB      SER  13  -3.457   1.603   6.414
   80    HB3  SER  13           1HB      SER  13  -2.208   0.454   6.885
   81    HG   SER  13           HG       SER  13  -1.942   2.692   5.500
   82    H    TRP  14           H        TRP  14  -3.349   1.376   2.944
   83    HA   TRP  14           HA       TRP  14  -6.139   2.215   3.233
   84    HB2  TRP  14           2HB      TRP  14  -4.485   3.724   2.313
   85    HB3  TRP  14           1HB      TRP  14  -4.016   2.536   1.090
   86    HD1  TRP  14           HD       TRP  14  -7.314   4.272   2.178
   87    HE1  TRP  14           1HE      TRP  14  -8.629   4.884   0.046
   88    HE3  TRP  14           3HE      TRP  14  -4.152   2.413  -1.372
   89    HZ2  TRP  14           2HZ      TRP  14  -8.373   4.617  -2.793
   90    HZ3  TRP  14           3HZ      TRP  14  -4.708   2.602  -3.778
   91    HH2  TRP  14           HH       TRP  14  -6.813   3.700  -4.494
   92    H    CYS  15           H        CYS  15  -4.397   0.422   0.661
   93    HA   CYS  15           HA       CYS  15  -6.460  -0.421  -0.956
   94    HB2  CYS  15           2HB      CYS  15  -5.047  -2.504  -1.231
   95    HB3  CYS  15           1HB      CYS  15  -4.132  -0.997  -1.322
   96    H    ILE  16           H        ILE  16  -5.658  -1.710   2.253
   97    HA   ILE  16           HA       ILE  16  -7.430  -3.966   2.208
   98    HB   ILE  16           HB       ILE  16  -6.370  -2.246   4.472
   99   HG12  ILE  16          2HG1      ILE  16  -4.728  -3.301   2.809
  100   HG13  ILE  16          1HG1      ILE  16  -4.494  -3.729   4.505
  101   HG21  ILE  16          1HG2      ILE  16  -7.745  -3.553   5.718
  102   HG22  ILE  16          2HG2      ILE  16  -6.595  -4.846   5.375
  103   HG23  ILE  16          3HG2      ILE  16  -8.041  -4.665   4.381
  104   HD11  ILE  16          3HD1      ILE  16  -4.423  -5.673   2.857
  105   HD12  ILE  16          1HD1      ILE  16  -6.148  -5.409   2.606
  106   HD13  ILE  16          2HD1      ILE  16  -5.547  -5.859   4.202
  107    H    LYS  17           H        LYS  17  -8.038  -0.577   2.497
  108    HA   LYS  17           HA       LYS  17 -10.361  -0.497   4.115
  109    HB2  LYS  17           2HB      LYS  17  -9.268   1.061   1.788
  110    HB3  LYS  17           1HB      LYS  17 -10.866   1.461   2.420
  111    HG2  LYS  17           2HG      LYS  17  -9.149   1.127   4.659
  112    HG3  LYS  17           1HG      LYS  17  -8.299   2.154   3.502
  113    HD2  LYS  17           2HD      LYS  17 -10.715   3.294   3.329
  114    HD3  LYS  17           1HD      LYS  17 -10.848   2.658   4.969
  115    HE2  LYS  17           2HE      LYS  17  -8.523   3.732   5.375
  116    HE3  LYS  17           1HE      LYS  17  -8.847   4.652   3.891
  117    HZ1  LYS  17           3HZ      LYS  17  -9.990   4.979   6.477
  118    HZ2  LYS  17           1HZ      LYS  17 -11.203   4.688   5.329
  119    HZ3  LYS  17           2HZ      LYS  17 -10.123   5.981   5.113
  120    H    GLN  18           H        GLN  18  -9.972  -1.386   0.696
  121    HA   GLN  18           HA       GLN  18 -12.681  -1.443  -0.108
  122    HB2  GLN  18           2HB      GLN  18 -10.443  -3.375  -0.808
  123    HB3  GLN  18           1HB      GLN  18 -11.862  -3.025  -1.795
  124    HG2  GLN  18           2HG      GLN  18  -9.565  -1.173  -1.119
  125    HG3  GLN  18           1HG      GLN  18 -10.110  -1.695  -2.716
  126   HE21  GLN  18          1HE2      GLN  18  -9.901   1.108  -1.631
  127   HE22  GLN  18          2HE2      GLN  18 -11.462   1.762  -1.774
  128    H    ASP  19           H        ASP  19 -10.910  -3.543   2.043
  129    HA   ASP  19           HA       ASP  19 -11.710  -5.231   3.495
  130    HB2  ASP  19           2HB      ASP  19 -13.862  -3.553   2.850
  131    HB3  ASP  19           1HB      ASP  19 -14.479  -5.191   2.605
  132    H    LEU  20           H        LEU  20 -10.594  -6.110   1.071
  133    HA   LEU  20           HA       LEU  20 -12.494  -8.141  -0.007
  134    HB2  LEU  20           2HB      LEU  20  -9.643  -7.617  -0.867
  135    HB3  LEU  20           1HB      LEU  20 -10.953  -8.311  -1.817
  136    HG   LEU  20           HG       LEU  20 -10.573  -5.435  -0.978
  137   HD11  LEU  20          1HD1      LEU  20 -11.143  -5.221  -3.497
  138   HD12  LEU  20          2HD1      LEU  20 -10.835  -6.956  -3.568
  139   HD13  LEU  20          3HD1      LEU  20  -9.555  -5.852  -3.063
  140   HD21  LEU  20          3HD2      LEU  20 -12.923  -6.154  -0.493
  141   HD22  LEU  20          1HD2      LEU  20 -13.074  -6.682  -2.168
  142   HD23  LEU  20          2HD2      LEU  20 -12.834  -4.975  -1.798
  143    H    SER  21           H        SER  21  -9.139  -7.986   1.235
  144    HA   SER  21           HA       SER  21  -9.346 -10.130   3.077
  145    HB2  SER  21           2HB      SER  21  -9.571 -10.952   0.404
  146    HB3  SER  21           1HB      SER  21  -7.912 -11.343   0.842
  147    HG   SER  21           HG       SER  21  -8.743 -12.447   2.661
  148    H    LYS  22           H        LYS  22  -7.252 -10.592   4.029
  149    HA   LYS  22           HA       LYS  22  -5.323  -8.506   3.926
  150    HB2  LYS  22           2HB      LYS  22  -5.868 -10.621   5.521
  151    HB3  LYS  22           1HB      LYS  22  -4.470 -11.265   4.660
  152    HG2  LYS  22           2HG      LYS  22  -3.208  -9.189   5.246
  153    HG3  LYS  22           1HG      LYS  22  -4.587  -8.665   6.211
  154    HD2  LYS  22           2HD      LYS  22  -3.711 -11.412   6.795
  155    HD3  LYS  22           1HD      LYS  22  -2.498 -10.184   7.162
  156    HE2  LYS  22           2HE      LYS  22  -3.655  -9.982   9.133
  157    HE3  LYS  22           1HE      LYS  22  -4.785  -9.018   8.162
  158    HZ1  LYS  22           3HZ      LYS  22  -6.131 -10.681   9.032
  159    HZ2  LYS  22           1HZ      LYS  22  -4.942 -11.880   8.871
  160    HZ3  LYS  22           2HZ      LYS  22  -5.741 -11.287   7.495
  161    H    ASP  23           H        ASP  23  -5.650 -11.437   2.018
  162    HA   ASP  23           HA       ASP  23  -2.963 -11.201   0.834
  163    HB2  ASP  23           2HB      ASP  23  -4.306 -13.331   1.363
  164    HB3  ASP  23           1HB      ASP  23  -5.296 -12.924  -0.038
  165    H    TRP  24           H        TRP  24  -6.059  -9.846   0.333
  166    HA   TRP  24           HA       TRP  24  -6.095  -9.603  -2.527
  167    HB2  TRP  24           2HB      TRP  24  -8.123  -8.788  -1.949
  168    HB3  TRP  24           1HB      TRP  24  -7.651  -8.902  -0.258
  169    HD1  TRP  24           HD       TRP  24  -7.697  -6.702   1.017
  170    HE1  TRP  24           1HE      TRP  24  -7.651  -4.200   0.388
  171    HE3  TRP  24           3HE      TRP  24  -7.043  -7.069  -4.027
  172    HZ2  TRP  24           2HZ      TRP  24  -7.369  -2.571  -1.946
  173    HZ3  TRP  24           3HZ      TRP  24  -6.888  -5.033  -5.433
  174    HH2  TRP  24           HH       TRP  24  -7.050  -2.785  -4.399
  175    H    CYS  25           H        CYS  25  -4.887  -7.425   0.040
  176    HA   CYS  25           HA       CYS  25  -3.833  -5.538  -1.971
  177    HB2  CYS  25           2HB      CYS  25  -4.831  -4.764   0.138
  178    HB3  CYS  25           1HB      CYS  25  -3.637  -5.688   1.055
  179    H    CYS  26           H        CYS  26  -2.616  -8.056   0.200
  180    HA   CYS  26           HA       CYS  26   0.114  -7.604   0.296
  181    HB2  CYS  26           2HB      CYS  26  -1.688  -9.957   0.112
  182    HB3  CYS  26           1HB      CYS  26   0.013 -10.279  -0.223
  183    H    ASP  27           H        ASP  27  -1.767  -8.790  -2.477
  184    HA   ASP  27           HA       ASP  27   0.626  -9.069  -4.171
  185    HB2  ASP  27           2HB      ASP  27  -1.571 -10.455  -4.144
  186    HB3  ASP  27           1HB      ASP  27  -2.272  -9.097  -5.026
  187    H    PHE  28           H        PHE  28  -1.812  -6.679  -3.445
  188    HA   PHE  28           HA       PHE  28  -1.818  -5.086  -5.773
  189    HB2  PHE  28           2HB      PHE  28  -3.304  -4.783  -3.852
  190    HB3  PHE  28           1HB      PHE  28  -1.932  -4.329  -2.836
  191    HD1  PHE  28           1HD      PHE  28  -3.147  -3.391  -6.270
  192    HD2  PHE  28           2HD      PHE  28  -1.822  -2.044  -2.412
  193    HE1  PHE  28           1HE      PHE  28  -3.368  -1.035  -7.015
  194    HE2  PHE  28           2HE      PHE  28  -2.044   0.310  -3.157
  195    HZ   PHE  28           HZ       PHE  28  -2.817   0.814  -5.459
  196    H    VAL  29           H        VAL  29   0.306  -4.661  -2.892
  197    HA   VAL  29           HA       VAL  29   1.917  -2.632  -4.196
  198    HB   VAL  29           HB       VAL  29   3.089  -2.605  -2.149
  199   HG11  VAL  29          1HG1      VAL  29   0.819  -3.867  -0.815
  200   HG12  VAL  29          2HG1      VAL  29   0.312  -2.776  -2.106
  201   HG13  VAL  29          3HG1      VAL  29   1.333  -2.179  -0.798
  202   HG21  VAL  29          3HG2      VAL  29   4.020  -4.720  -1.866
  203   HG22  VAL  29          1HG2      VAL  29   2.479  -5.544  -2.121
  204   HG23  VAL  29          2HG2      VAL  29   2.797  -4.720  -0.594
  205    H    LYS  30           H        LYS  30   2.096  -6.132  -3.954
  206    HA   LYS  30           HA       LYS  30   4.854  -6.439  -4.716
  207    HB2  LYS  30           2HB      LYS  30   3.613  -8.207  -3.645
  208    HB3  LYS  30           1HB      LYS  30   2.385  -8.184  -4.911
  209    HG2  LYS  30           2HG      LYS  30   4.872  -8.540  -6.215
  210    HG3  LYS  30           1HG      LYS  30   4.861  -9.647  -4.843
  211    HD2  LYS  30           2HD      LYS  30   3.242 -10.946  -5.753
  212    HD3  LYS  30           1HD      LYS  30   2.307  -9.549  -6.292
  213    HE2  LYS  30           2HE      LYS  30   2.972 -10.245  -8.379
  214    HE3  LYS  30           1HE      LYS  30   4.479  -9.404  -7.961
  215    HZ1  LYS  30           3HZ      LYS  30   5.054 -11.628  -8.537
  216    HZ2  LYS  30           1HZ      LYS  30   3.846 -12.274  -7.537
  217    HZ3  LYS  30           2HZ      LYS  30   5.193 -11.500  -6.848
  218    H    ASP  31           H        ASP  31   1.920  -5.829  -6.540
  219    HA   ASP  31           HA       ASP  31   2.956  -6.690  -9.118
  220    HB2  ASP  31           2HB      ASP  31   0.522  -6.278  -8.154
  221    HB3  ASP  31           1HB      ASP  31   0.790  -4.642  -8.759
  222    H    ILE  32           H        ILE  32   2.823  -3.605  -7.368
  223    HA   ILE  32           HA       ILE  32   3.860  -2.055  -9.627
  224    HB   ILE  32           HB       ILE  32   3.938  -0.272  -7.841
  225   HG12  ILE  32          2HG1      ILE  32   2.668  -2.360  -6.057
  226   HG13  ILE  32          1HG1      ILE  32   4.401  -2.031  -6.014
  227   HG21  ILE  32          1HG2      ILE  32   1.865  -1.028  -9.218
  228   HG22  ILE  32          2HG2      ILE  32   1.599  -0.010  -7.803
  229   HG23  ILE  32          3HG2      ILE  32   1.314  -1.747  -7.706
  230   HD11  ILE  32          3HD1      ILE  32   2.213   0.026  -5.594
  231   HD12  ILE  32          1HD1      ILE  32   3.947   0.338  -5.522
  232   HD13  ILE  32          2HD1      ILE  32   3.188  -0.702  -4.317
  233    H    ARG  33           H        ARG  33   5.319  -4.337  -7.827
  234    HA   ARG  33           HA       ARG  33   7.572  -4.813  -7.316
  235    HB2  ARG  33           2HB      ARG  33   7.546  -2.784  -9.504
  236    HB3  ARG  33           1HB      ARG  33   9.096  -3.124  -8.734
  237    HG2  ARG  33           2HG      ARG  33   7.416  -5.471  -9.468
  238    HG3  ARG  33           1HG      ARG  33   8.176  -4.586 -10.792
  239    HD2  ARG  33           2HD      ARG  33  10.318  -4.737  -9.210
  240    HD3  ARG  33           1HD      ARG  33   9.459  -6.164  -8.595
  241    HE   ARG  33           HE       ARG  33  10.569  -5.865 -11.290
  242   HH11  ARG  33          1HH2      ARG  33   8.225  -7.387  -9.255
  243   HH12  ARG  33          2HH2      ARG  33   8.036  -8.764 -10.287
  244   HH21  ARG  33          1HH1      ARG  33  10.325  -7.655 -12.642
  245   HH22  ARG  33          2HH1      ARG  33   9.221  -8.915 -12.202
  246    H    MET  34           H        MET  34   6.273  -3.209  -5.403
  247    HA   MET  34           HA       MET  34   8.153  -0.997  -4.756
  248    HB2  MET  34           2HB      MET  34   5.370  -1.726  -4.244
  249    HB3  MET  34           1HB      MET  34   6.200  -1.216  -2.772
  250    HG2  MET  34           2HG      MET  34   5.134   0.675  -4.065
  251    HG3  MET  34           1HG      MET  34   6.867   0.873  -3.783
  252    HE1  MET  34           3HE      MET  34   6.280   2.745  -6.515
  253    HE2  MET  34           1HE      MET  34   7.918   2.120  -6.750
  254    HE3  MET  34           2HE      MET  34   7.298   2.391  -5.123
  255    H    ASN  35           H        ASN  35   8.144  -1.043  -2.013
  256    HA   ASN  35           HA       ASN  35   9.878  -3.365  -1.438
  257    HB2  ASN  35           2HB      ASN  35   9.531  -0.617  -0.608
  258    HB3  ASN  35           1HB      ASN  35   9.557  -1.669   0.808
  259   HD21  ASN  35          1HD2      ASN  35  11.568  -0.017  -1.353
  260   HD22  ASN  35          2HD2      ASN  35  13.010  -0.887  -1.072
  261    HA   PRO  36           HA       PRO  36   6.233  -5.185   0.487
  262    HB2  PRO  36           2HB      PRO  36   7.199  -7.729   0.495
  263    HB3  PRO  36           1HB      PRO  36   6.468  -6.985  -0.943
  264    HG2  PRO  36           2HG      PRO  36   9.314  -7.490  -0.314
  265    HG3  PRO  36           1HG      PRO  36   8.490  -7.450  -1.878
  266    HD2  PRO  36           2HD      PRO  36  10.077  -5.420  -0.824
  267    HD3  PRO  36           1HD      PRO  36   8.926  -5.252  -2.163
  268    HA   PRO  37           HA       PRO  37   8.242  -5.205   4.467
  269    HB2  PRO  37           2HB      PRO  37   5.948  -5.256   5.962
  270    HB3  PRO  37           1HB      PRO  37   6.564  -3.779   5.197
  271    HG2  PRO  37           2HG      PRO  37   4.353  -5.567   4.348
  272    HG3  PRO  37           1HG      PRO  37   4.505  -3.811   4.204
  273    HD2  PRO  37           2HD      PRO  37   4.914  -5.595   2.145
  274    HD3  PRO  37           1HD      PRO  37   5.580  -3.948   2.205
  275    H    ALA  38           H        ALA  38   9.082  -7.096   5.284
  276    HA   ALA  38           HA       ALA  38   7.868  -9.679   4.793
  277    HB1  ALA  38           1HB      ALA  38   9.804 -10.458   6.108
  278    HB2  ALA  38           2HB      ALA  38  10.094  -8.812   6.671
  279    HB3  ALA  38           3HB      ALA  38  10.303  -9.212   4.965
  280    H    ASP  39           H        ASP  39   7.215  -7.296   7.107
  281    HA   ASP  39           HA       ASP  39   6.197  -9.319   9.069
  282    HB2  ASP  39           2HB      ASP  39   6.127  -7.187  10.534
  283    HB3  ASP  39           1HB      ASP  39   7.719  -7.810  10.103
  284    H    LYS  40           H        LYS  40   4.642  -9.075   6.819
  285    HA   LYS  40           HA       LYS  40   2.196  -7.805   7.899
  286    HB2  LYS  40           2HB      LYS  40   2.959  -5.931   6.755
  287    HB3  LYS  40           1HB      LYS  40   3.819  -6.889   5.553
  288    HG2  LYS  40           2HG      LYS  40   0.852  -7.152   5.612
  289    HG3  LYS  40           1HG      LYS  40   1.512  -5.637   4.991
  290    HD2  LYS  40           2HD      LYS  40   2.864  -8.075   4.022
  291    HD3  LYS  40           1HD      LYS  40   1.198  -7.885   3.478
  292    HE2  LYS  40           2HE      LYS  40   2.758  -5.389   3.332
  293    HE3  LYS  40           1HE      LYS  40   3.382  -6.679   2.287
  294    HZ1  LYS  40           3HZ      LYS  40   0.820  -5.305   2.196
  295    HZ2  LYS  40           1HZ      LYS  40   0.761  -6.981   1.938
  296    HZ3  LYS  40           2HZ      LYS  40   1.722  -6.002   0.937
  297    H    CYS  41           H        CYS  41   3.750  -9.729   5.328
  298    HA   CYS  41           HA       CYS  41   1.145 -11.188   5.002
  299    HB2  CYS  41           2HB      CYS  41   2.288  -9.581   3.149
  300    HB3  CYS  41           1HB      CYS  41   3.105 -11.098   2.766
  301    HA   PRO  42           HA       PRO  42   3.571 -14.710   6.085
  302    HB2  PRO  42           2HB      PRO  42   1.849 -16.653   5.210
  303    HB3  PRO  42           1HB      PRO  42   1.574 -15.715   6.693
  304    HG2  PRO  42           2HG      PRO  42   0.361 -15.391   3.996
  305    HG3  PRO  42           1HG      PRO  42  -0.376 -15.208   5.596
  306    HD2  PRO  42           2HD      PRO  42   0.409 -13.106   4.037
  307    HD3  PRO  42           1HD      PRO  42   0.323 -13.042   5.812
  Start of MODEL    5
    1    H1   ILE   1           H        ILE   1  -0.391  10.218   9.400
    2    HA   ILE   1           HA       ILE   1  -1.914   7.880   9.019
    3    HB   ILE   1           HB       ILE   1  -2.513  10.336   8.820
    4   HG12  ILE   1          2HG1      ILE   1  -3.892   9.857   6.609
    5   HG13  ILE   1          1HG1      ILE   1  -3.318   8.213   6.875
    6   HG21  ILE   1          1HG2      ILE   1  -0.458  10.406   7.035
    7   HG22  ILE   1          2HG2      ILE   1  -1.746  11.610   7.091
    8   HG23  ILE   1          3HG2      ILE   1  -1.835  10.275   5.942
    9   HD11  ILE   1          3HD1      ILE   1  -4.370   8.075   8.997
   10   HD12  ILE   1          1HD1      ILE   1  -5.565   8.867   7.969
   11   HD13  ILE   1          2HD1      ILE   1  -4.594   9.822   9.090
   12    HA   PRO   2           HA       PRO   2   0.387   6.011   5.723
   13    HB2  PRO   2           2HB      PRO   2  -1.304   3.902   5.320
   14    HB3  PRO   2           1HB      PRO   2  -0.204   4.007   6.710
   15    HG2  PRO   2           2HG      PRO   2  -3.120   4.362   6.595
   16    HG3  PRO   2           1HG      PRO   2  -2.089   3.887   7.950
   17    HD2  PRO   2           2HD      PRO   2  -3.219   6.440   7.468
   18    HD3  PRO   2           1HD      PRO   2  -2.044   6.005   8.729
   19    H    TYR   3           H        TYR   3   0.344   6.574   3.570
   20    HA   TYR   3           HA       TYR   3  -2.231   6.554   2.096
   21    HB2  TYR   3           2HB      TYR   3  -2.079   8.875   1.513
   22    HB3  TYR   3           1HB      TYR   3  -1.813   8.794   3.258
   23    HD1  TYR   3           2HD      TYR   3   0.575   8.789   4.136
   24    HD2  TYR   3           1HD      TYR   3  -0.408   9.723   0.061
   25    HE1  TYR   3           2HE      TYR   3   2.790   9.868   3.849
   26    HE2  TYR   3           1HE      TYR   3   1.805  10.803  -0.226
   27    HH   TYR   3           HH       TYR   3   3.970  11.306   2.496
   28    H    CYS   4           H        CYS   4   0.299   5.003   1.957
   29    HA   CYS   4           HA       CYS   4   1.690   4.148   0.245
   30    HB2  CYS   4           2HB      CYS   4   0.086   5.971  -1.565
   31    HB3  CYS   4           1HB      CYS   4   0.845   4.435  -1.978
   32    H    GLY   5           H        GLY   5   3.676   5.124   0.815
   33    HA2  GLY   5           2HA      GLY   5   4.203   7.840  -0.320
   34    HA3  GLY   5           1HA      GLY   5   5.101   7.125   1.026
   35    H    GLN   6           H        GLN   6   6.680   5.506   0.566
   36    HA   GLN   6           HA       GLN   6   7.328   5.123  -2.336
   37    HB2  GLN   6           2HB      GLN   6   8.636   6.824  -0.602
   38    HB3  GLN   6           1HB      GLN   6   9.602   5.350  -0.468
   39    HG2  GLN   6           2HG      GLN   6  10.379   5.516  -2.604
   40    HG3  GLN   6           1HG      GLN   6   8.828   6.079  -3.227
   41   HE21  GLN   6          1HE2      GLN   6   9.538   7.972  -4.331
   42   HE22  GLN   6          2HE2      GLN   6  10.292   9.283  -3.541
   43    H    THR   7           H        THR   7   6.036   3.350  -0.297
   44    HA   THR   7           HA       THR   7   7.788   1.006  -0.692
   45    HB   THR   7           HB       THR   7   7.636   0.562   1.830
   46    HG1  THR   7           1HG      THR   7   6.324   1.935   2.734
   47   HG21  THR   7          3HG2      THR   7   9.148   3.096   1.247
   48   HG22  THR   7          1HG2      THR   7   9.608   1.585   0.463
   49   HG23  THR   7          2HG2      THR   7   9.642   1.712   2.222
   50    H    GLY   8           H        GLY   8   6.618  -1.010   0.192
   51    HA2  GLY   8           2HA      GLY   8   3.804  -0.871  -0.628
   52    HA3  GLY   8           1HA      GLY   8   4.685  -2.336  -0.180
   53    H    ALA   9           H        ALA   9   5.548  -0.654   2.314
   54    HA   ALA   9           HA       ALA   9   3.526  -1.750   4.086
   55    HB1  ALA   9           1HB      ALA   9   6.074  -0.213   4.235
   56    HB2  ALA   9           2HB      ALA   9   5.599  -1.682   5.090
   57    HB3  ALA   9           3HB      ALA   9   5.010  -0.113   5.638
   58    H    GLU  10           H        GLU  10   4.219   1.462   2.766
   59    HA   GLU  10           HA       GLU  10   2.440   2.941   4.484
   60    HB2  GLU  10           2HB      GLU  10   3.876   3.295   1.886
   61    HB3  GLU  10           1HB      GLU  10   2.590   4.440   2.267
   62    HG2  GLU  10           2HG      GLU  10   4.930   3.785   4.084
   63    HG3  GLU  10           1HG      GLU  10   4.793   5.231   3.078
   64    H    CYS  11           H        CYS  11   2.048   1.710   1.145
   65    HA   CYS  11           HA       CYS  11  -0.779   2.427   1.044
   66    HB2  CYS  11           2HB      CYS  11   1.232   1.917  -0.749
   67    HB3  CYS  11           1HB      CYS  11   0.312   0.414  -0.827
   68    H    TYR  12           H        TYR  12   1.079  -0.382   1.982
   69    HA   TYR  12           HA       TYR  12  -0.539  -2.580   1.733
   70    HB2  TYR  12           2HB      TYR  12   1.469  -2.817   2.901
   71    HB3  TYR  12           1HB      TYR  12   1.138  -1.448   3.952
   72    HD1  TYR  12           2HD      TYR  12  -1.205  -4.251   3.174
   73    HD2  TYR  12           1HD      TYR  12   1.398  -2.457   6.087
   74    HE1  TYR  12           2HE      TYR  12  -2.085  -5.782   4.914
   75    HE2  TYR  12           1HE      TYR  12   0.515  -3.991   7.821
   76    HH   TYR  12           HH       TYR  12  -1.178  -5.437   8.303
   77    H    SER  13           H        SER  13  -1.135   0.218   3.750
   78    HA   SER  13           HA       SER  13  -3.377  -0.964   5.213
   79    HB2  SER  13           2HB      SER  13  -3.575   1.690   5.626
   80    HB3  SER  13           1HB      SER  13  -2.363   0.702   6.435
   81    HG   SER  13           HG       SER  13  -2.111   2.429   4.229
   82    H    TRP  14           H        TRP  14  -3.183   1.728   2.841
   83    HA   TRP  14           HA       TRP  14  -5.924   2.154   2.442
   84    HB2  TRP  14           2HB      TRP  14  -4.243   3.608   1.527
   85    HB3  TRP  14           1HB      TRP  14  -3.541   2.291   0.580
   86    HD1  TRP  14           HD       TRP  14  -6.507   4.678   0.678
   87    HE1  TRP  14           1HE      TRP  14  -7.707   4.617  -1.603
   88    HE3  TRP  14           3HE      TRP  14  -4.014   0.804  -1.528
   89    HZ2  TRP  14           2HZ      TRP  14  -7.623   3.123  -4.041
   90    HZ3  TRP  14           3HZ      TRP  14  -4.594   0.083  -3.828
   91    HH2  TRP  14           HH       TRP  14  -6.393   1.237  -5.086
   92    H    CYS  15           H        CYS  15  -3.876   0.186   0.263
   93    HA   CYS  15           HA       CYS  15  -5.710  -0.923  -1.443
   94    HB2  CYS  15           2HB      CYS  15  -4.207  -2.991  -1.280
   95    HB3  CYS  15           1HB      CYS  15  -3.376  -1.461  -1.561
   96    H    ILE  16           H        ILE  16  -5.165  -2.000   1.909
   97    HA   ILE  16           HA       ILE  16  -6.979  -4.236   1.773
   98    HB   ILE  16           HB       ILE  16  -5.693  -2.609   3.965
   99   HG12  ILE  16          2HG1      ILE  16  -5.185  -5.175   2.497
  100   HG13  ILE  16          1HG1      ILE  16  -4.047  -3.917   2.966
  101   HG21  ILE  16          1HG2      ILE  16  -7.877  -3.529   4.750
  102   HG22  ILE  16          2HG2      ILE  16  -6.498  -4.279   5.556
  103   HG23  ILE  16          3HG2      ILE  16  -7.340  -5.138   4.267
  104   HD11  ILE  16          3HD1      ILE  16  -5.401  -5.786   4.931
  105   HD12  ILE  16          1HD1      ILE  16  -4.104  -4.643   5.277
  106   HD13  ILE  16          2HD1      ILE  16  -3.793  -6.053   4.265
  107    H    LYS  17           H        LYS  17  -7.528  -0.827   2.094
  108    HA   LYS  17           HA       LYS  17  -9.869  -0.800   3.701
  109    HB2  LYS  17           2HB      LYS  17 -10.115   1.389   2.877
  110    HB3  LYS  17           1HB      LYS  17  -8.394   1.088   2.660
  111    HG2  LYS  17           2HG      LYS  17  -8.641   0.730   0.325
  112    HG3  LYS  17           1HG      LYS  17 -10.387   0.539   0.454
  113    HD2  LYS  17           2HD      LYS  17  -9.488   3.102   1.518
  114    HD3  LYS  17           1HD      LYS  17  -9.058   2.896  -0.181
  115    HE2  LYS  17           2HE      LYS  17 -11.231   3.049  -0.854
  116    HE3  LYS  17           1HE      LYS  17 -11.796   2.002   0.464
  117    HZ1  LYS  17           3HZ      LYS  17 -10.883   4.804   0.837
  118    HZ2  LYS  17           1HZ      LYS  17 -11.584   3.797   2.007
  119    HZ3  LYS  17           2HZ      LYS  17 -12.514   4.351   0.699
  120    H    GLN  18           H        GLN  18  -9.363  -2.087   0.531
  121    HA   GLN  18           HA       GLN  18 -12.032  -1.863  -0.521
  122    HB2  GLN  18           2HB      GLN  18  -9.889  -3.968  -0.971
  123    HB3  GLN  18           1HB      GLN  18 -11.223  -3.598  -2.064
  124    HG2  GLN  18           2HG      GLN  18  -8.977  -1.718  -1.273
  125    HG3  GLN  18           1HG      GLN  18  -9.197  -2.479  -2.852
  126   HE21  GLN  18          1HE2      GLN  18  -9.122   0.341  -2.699
  127   HE22  GLN  18          2HE2      GLN  18 -10.672   0.961  -3.009
  128    H    ASP  19           H        ASP  19 -10.595  -3.875   1.905
  129    HA   ASP  19           HA       ASP  19 -11.635  -5.360   3.413
  130    HB2  ASP  19           2HB      ASP  19 -13.801  -4.812   3.727
  131    HB3  ASP  19           1HB      ASP  19 -13.686  -3.807   2.283
  132    H    LEU  20           H        LEU  20 -10.590  -6.080   0.522
  133    HA   LEU  20           HA       LEU  20 -12.085  -8.464  -0.203
  134    HB2  LEU  20           2HB      LEU  20  -9.175  -8.006  -0.835
  135    HB3  LEU  20           1HB      LEU  20 -10.424  -8.709  -1.854
  136    HG   LEU  20           HG       LEU  20  -9.897  -5.816  -1.234
  137   HD11  LEU  20          1HD1      LEU  20  -9.353  -5.750  -3.417
  138   HD12  LEU  20          2HD1      LEU  20 -10.860  -6.542  -3.878
  139   HD13  LEU  20          3HD1      LEU  20  -9.459  -7.510  -3.418
  140   HD21  LEU  20          3HD2      LEU  20 -12.268  -5.849  -2.680
  141   HD22  LEU  20          1HD2      LEU  20 -12.126  -5.476  -0.961
  142   HD23  LEU  20          2HD2      LEU  20 -12.515  -7.117  -1.480
  143    H    SER  21           H        SER  21  -8.688  -8.317   0.906
  144    HA   SER  21           HA       SER  21  -9.111 -10.140   3.138
  145    HB2  SER  21           2HB      SER  21  -7.534 -11.272   0.831
  146    HB3  SER  21           1HB      SER  21  -8.286 -12.126   2.173
  147    HG   SER  21           HG       SER  21 -10.134 -12.121   1.141
  148    H    LYS  22           H        LYS  22  -6.741 -10.987   3.802
  149    HA   LYS  22           HA       LYS  22  -5.063  -8.600   3.986
  150    HB2  LYS  22           2HB      LYS  22  -3.738 -10.020   5.452
  151    HB3  LYS  22           1HB      LYS  22  -5.442 -10.333   5.782
  152    HG2  LYS  22           2HG      LYS  22  -4.791 -12.094   3.705
  153    HG3  LYS  22           1HG      LYS  22  -3.404 -12.153   4.791
  154    HD2  LYS  22           2HD      LYS  22  -5.661 -12.130   6.467
  155    HD3  LYS  22           1HD      LYS  22  -6.056 -13.253   5.165
  156    HE2  LYS  22           2HE      LYS  22  -3.791 -14.346   5.547
  157    HE3  LYS  22           1HE      LYS  22  -3.649 -13.352   7.011
  158    HZ1  LYS  22           3HZ      LYS  22  -5.184 -14.563   8.068
  159    HZ2  LYS  22           1HZ      LYS  22  -4.963 -15.729   6.856
  160    HZ3  LYS  22           2HZ      LYS  22  -6.225 -14.598   6.726
  161    H    ASP  23           H        ASP  23  -5.187 -11.471   1.997
  162    HA   ASP  23           HA       ASP  23  -2.442 -11.124   0.967
  163    HB2  ASP  23           2HB      ASP  23  -3.917 -13.286   1.340
  164    HB3  ASP  23           1HB      ASP  23  -4.583 -12.865  -0.238
  165    H    TRP  24           H        TRP  24  -5.675 -10.118   0.266
  166    HA   TRP  24           HA       TRP  24  -5.653  -9.644  -2.508
  167    HB2  TRP  24           2HB      TRP  24  -7.700  -9.122  -1.647
  168    HB3  TRP  24           1HB      TRP  24  -7.021  -8.732  -0.068
  169    HD1  TRP  24           HD       TRP  24  -7.568  -6.337   0.553
  170    HE1  TRP  24           1HE      TRP  24  -7.700  -4.083  -0.694
  171    HE3  TRP  24           3HE      TRP  24  -6.505  -7.890  -4.176
  172    HZ2  TRP  24           2HZ      TRP  24  -7.395  -3.075  -3.359
  173    HZ3  TRP  24           3HZ      TRP  24  -6.432  -6.276  -6.058
  174    HH2  TRP  24           HH       TRP  24  -6.875  -3.869  -5.655
  175    H    CYS  25           H        CYS  25  -4.543  -7.479   0.118
  176    HA   CYS  25           HA       CYS  25  -3.459  -5.529  -1.784
  177    HB2  CYS  25           2HB      CYS  25  -4.383  -4.743   0.292
  178    HB3  CYS  25           1HB      CYS  25  -3.409  -5.884   1.223
  179    H    CYS  26           H        CYS  26  -2.119  -7.948   0.483
  180    HA   CYS  26           HA       CYS  26   0.589  -7.428   0.405
  181    HB2  CYS  26           2HB      CYS  26  -1.135  -9.598   0.956
  182    HB3  CYS  26           1HB      CYS  26   0.110 -10.237  -0.117
  183    H    ASP  27           H        ASP  27  -1.335  -8.963  -2.170
  184    HA   ASP  27           HA       ASP  27   1.020  -9.238  -3.926
  185    HB2  ASP  27           2HB      ASP  27  -1.607 -10.333  -3.640
  186    HB3  ASP  27           1HB      ASP  27  -1.491  -9.623  -5.250
  187    H    PHE  28           H        PHE  28  -1.566  -6.976  -3.332
  188    HA   PHE  28           HA       PHE  28  -1.675  -5.635  -5.849
  189    HB2  PHE  28           2HB      PHE  28  -3.308  -5.323  -4.070
  190    HB3  PHE  28           1HB      PHE  28  -2.058  -4.696  -2.988
  191    HD1  PHE  28           2HD      PHE  28  -1.052  -2.479  -3.370
  192    HD2  PHE  28           1HD      PHE  28  -4.213  -3.970  -5.867
  193    HE1  PHE  28           2HE      PHE  28  -1.422  -0.195  -4.264
  194    HE2  PHE  28           1HE      PHE  28  -4.582  -1.686  -6.762
  195    HZ   PHE  28           HZ       PHE  28  -3.188   0.201  -5.960
  196    H    VAL  29           H        VAL  29   0.008  -4.472  -2.893
  197    HA   VAL  29           HA       VAL  29   1.490  -2.397  -3.972
  198    HB   VAL  29           HB       VAL  29   3.078  -2.858  -2.151
  199   HG11  VAL  29          1HG1      VAL  29   1.443  -2.103  -0.801
  200   HG12  VAL  29          2HG1      VAL  29   0.891  -3.763  -0.581
  201   HG13  VAL  29          3HG1      VAL  29   0.215  -2.774  -1.875
  202   HG21  VAL  29          3HG2      VAL  29   2.922  -4.972  -0.886
  203   HG22  VAL  29          1HG2      VAL  29   3.347  -5.274  -2.570
  204   HG23  VAL  29          2HG2      VAL  29   1.698  -5.558  -2.014
  205    H    LYS  30           H        LYS  30   2.208  -5.877  -4.206
  206    HA   LYS  30           HA       LYS  30   4.785  -5.661  -5.436
  207    HB2  LYS  30           2HB      LYS  30   2.673  -7.780  -5.931
  208    HB3  LYS  30           1HB      LYS  30   4.425  -7.984  -5.947
  209    HG2  LYS  30           2HG      LYS  30   3.730  -6.874  -3.422
  210    HG3  LYS  30           1HG      LYS  30   2.629  -8.218  -3.724
  211    HD2  LYS  30           2HD      LYS  30   5.448  -8.742  -4.436
  212    HD3  LYS  30           1HD      LYS  30   5.150  -8.509  -2.714
  213    HE2  LYS  30           2HE      LYS  30   4.071 -10.506  -2.532
  214    HE3  LYS  30           1HE      LYS  30   3.140 -10.224  -4.018
  215    HZ1  LYS  30           3HZ      LYS  30   4.709 -11.176  -5.299
  216    HZ2  LYS  30           1HZ      LYS  30   5.153 -11.969  -3.868
  217    HZ3  LYS  30           2HZ      LYS  30   6.000 -10.583  -4.366
  218    H    ASP  31           H        ASP  31   1.492  -5.724  -6.784
  219    HA   ASP  31           HA       ASP  31   2.099  -5.918  -9.538
  220    HB2  ASP  31           2HB      ASP  31  -0.068  -4.448  -8.009
  221    HB3  ASP  31           1HB      ASP  31  -0.117  -4.716  -9.752
  222    H    ILE  32           H        ILE  32   1.818  -2.962  -7.520
  223    HA   ILE  32           HA       ILE  32   2.655  -1.264  -9.781
  224    HB   ILE  32           HB       ILE  32   2.379   0.513  -8.016
  225   HG12  ILE  32          2HG1      ILE  32   1.307  -1.672  -6.242
  226   HG13  ILE  32          1HG1      ILE  32   3.018  -1.246  -6.186
  227   HG21  ILE  32          1HG2      ILE  32  -0.136  -0.299  -7.543
  228   HG22  ILE  32          2HG2      ILE  32   0.289  -1.466  -8.796
  229   HG23  ILE  32          3HG2      ILE  32   0.382   0.263  -9.133
  230   HD11  ILE  32          3HD1      ILE  32   0.716   0.691  -5.799
  231   HD12  ILE  32          1HD1      ILE  32   2.430   1.100  -5.725
  232   HD13  ILE  32          2HD1      ILE  32   1.724   0.033  -4.511
  233    H    ARG  33           H        ARG  33   4.541  -3.327  -8.580
  234    HA   ARG  33           HA       ARG  33   6.811  -3.449  -7.930
  235    HB2  ARG  33           2HB      ARG  33   6.802  -2.207 -10.112
  236    HB3  ARG  33           1HB      ARG  33   6.773  -0.695  -9.203
  237    HG2  ARG  33           2HG      ARG  33   8.997  -0.794  -8.871
  238    HG3  ARG  33           1HG      ARG  33   8.859  -2.413  -8.183
  239    HD2  ARG  33           2HD      ARG  33   8.466  -2.555 -11.042
  240    HD3  ARG  33           1HD      ARG  33   9.998  -1.731 -10.682
  241    HE   ARG  33           HE       ARG  33   9.450  -4.523 -10.174
  242   HH11  ARG  33          1HH2      ARG  33  10.972  -1.686  -8.920
  243   HH12  ARG  33          2HH2      ARG  33  12.166  -2.566  -8.027
  244   HH21  ARG  33          1HH1      ARG  33  11.003  -5.679  -9.013
  245   HH22  ARG  33          2HH1      ARG  33  12.184  -4.822  -8.078
  246    H    MET  34           H        MET  34   6.160  -3.249  -5.603
  247    HA   MET  34           HA       MET  34   7.249  -0.724  -4.429
  248    HB2  MET  34           2HB      MET  34   4.554  -1.988  -4.145
  249    HB3  MET  34           1HB      MET  34   5.258  -1.247  -2.707
  250    HG2  MET  34           2HG      MET  34   5.490   0.374  -5.168
  251    HG3  MET  34           1HG      MET  34   3.836   0.127  -4.597
  252    HE1  MET  34           3HE      MET  34   4.941   3.313  -4.384
  253    HE2  MET  34           1HE      MET  34   6.251   2.259  -4.935
  254    HE3  MET  34           2HE      MET  34   6.478   3.285  -3.521
  255    H    ASN  35           H        ASN  35   7.147  -1.295  -1.789
  256    HA   ASN  35           HA       ASN  35   8.831  -3.746  -1.570
  257    HB2  ASN  35           2HB      ASN  35   8.648  -1.090  -0.342
  258    HB3  ASN  35           1HB      ASN  35   8.857  -2.375   0.848
  259   HD21  ASN  35          1HD2      ASN  35  10.847  -0.301  -0.157
  260   HD22  ASN  35          2HD2      ASN  35  12.180  -1.213  -0.703
  261    HA   PRO  36           HA       PRO  36   5.082  -5.439   0.294
  262    HB2  PRO  36           2HB      PRO  36   5.806  -8.041  -0.055
  263    HB3  PRO  36           1HB      PRO  36   5.076  -7.064  -1.345
  264    HG2  PRO  36           2HG      PRO  36   7.902  -7.861  -0.942
  265    HG3  PRO  36           1HG      PRO  36   7.002  -7.605  -2.443
  266    HD2  PRO  36           2HD      PRO  36   8.801  -5.812  -1.340
  267    HD3  PRO  36           1HD      PRO  36   7.541  -5.402  -2.525
  268    HA   PRO  37           HA       PRO  37   7.444  -6.077   4.061
  269    HB2  PRO  37           2HB      PRO  37   5.386  -5.485   5.766
  270    HB3  PRO  37           1HB      PRO  37   6.369  -4.237   4.976
  271    HG2  PRO  37           2HG      PRO  37   3.639  -5.189   4.322
  272    HG3  PRO  37           1HG      PRO  37   4.341  -3.573   4.168
  273    HD2  PRO  37           2HD      PRO  37   3.964  -5.351   2.079
  274    HD3  PRO  37           1HD      PRO  37   5.093  -3.976   2.063
  275    H    ALA  38           H        ALA  38   7.715  -8.159   4.788
  276    HA   ALA  38           HA       ALA  38   5.478 -10.087   4.574
  277    HB1  ALA  38           1HB      ALA  38   8.377 -10.395   5.429
  278    HB2  ALA  38           2HB      ALA  38   7.791 -10.568   3.775
  279    HB3  ALA  38           3HB      ALA  38   7.275 -11.708   5.017
  280    H    ASP  39           H        ASP  39   7.429  -8.473   7.050
  281    HA   ASP  39           HA       ASP  39   6.262 -10.045   9.246
  282    HB2  ASP  39           2HB      ASP  39   7.650  -8.456  10.594
  283    HB3  ASP  39           1HB      ASP  39   8.573  -9.243   9.313
  284    H    LYS  40           H        LYS  40   4.878  -7.842   7.311
  285    HA   LYS  40           HA       LYS  40   3.379  -6.518   9.552
  286    HB2  LYS  40           2HB      LYS  40   4.961  -5.231   7.871
  287    HB3  LYS  40           1HB      LYS  40   3.594  -5.398   6.771
  288    HG2  LYS  40           2HG      LYS  40   2.937  -3.441   7.768
  289    HG3  LYS  40           1HG      LYS  40   2.284  -4.548   8.975
  290    HD2  LYS  40           2HD      LYS  40   4.968  -4.240   9.698
  291    HD3  LYS  40           1HD      LYS  40   4.448  -2.621   9.235
  292    HE2  LYS  40           2HE      LYS  40   2.472  -4.077  10.876
  293    HE3  LYS  40           1HE      LYS  40   3.997  -3.718  11.711
  294    HZ1  LYS  40           3HZ      LYS  40   2.649  -1.691  10.035
  295    HZ2  LYS  40           1HZ      LYS  40   3.812  -1.456  11.248
  296    HZ3  LYS  40           2HZ      LYS  40   2.225  -1.895  11.669
  297    H    CYS  41           H        CYS  41   3.065  -7.468   6.103
  298    HA   CYS  41           HA       CYS  41   0.136  -7.654   6.359
  299    HB2  CYS  41           2HB      CYS  41   1.019  -6.760   4.327
  300    HB3  CYS  41           1HB      CYS  41   2.184  -8.078   4.170
  301    HA   PRO  42           HA       PRO  42   0.713 -11.942   7.605
  302    HB2  PRO  42           2HB      PRO  42  -1.903 -12.340   8.305
  303    HB3  PRO  42           1HB      PRO  42  -0.735 -11.521   9.361
  304    HG2  PRO  42           2HG      PRO  42  -2.837 -10.358   7.607
  305    HG3  PRO  42           1HG      PRO  42  -2.300  -9.850   9.216
  306    HD2  PRO  42           2HD      PRO  42  -1.550  -8.603   6.903
  307    HD3  PRO  42           1HD      PRO  42  -0.568  -8.607   8.387
  Start of MODEL    6
    1    H1   ILE   1           H        ILE   1  -1.478  14.911  -3.665
    2    HA   ILE   1           HA       ILE   1  -1.547  14.335  -6.603
    3    HB   ILE   1           HB       ILE   1   1.002  14.261  -6.395
    4   HG12  ILE   1          2HG1      ILE   1   0.689  14.286  -3.772
    5   HG13  ILE   1          1HG1      ILE   1   2.066  15.106  -4.503
    6   HG21  ILE   1          1HG2      ILE   1  -0.565  16.828  -6.064
    7   HG22  ILE   1          2HG2      ILE   1   0.004  16.093  -7.563
    8   HG23  ILE   1          3HG2      ILE   1   1.159  16.804  -6.435
    9   HD11  ILE   1          3HD1      ILE   1   1.284  17.181  -3.959
   10   HD12  ILE   1          1HD1      ILE   1   0.379  16.295  -2.733
   11   HD13  ILE   1          2HD1      ILE   1  -0.396  16.739  -4.253
   12    HA   PRO   2           HA       PRO   2  -1.305  10.145  -5.320
   13    HB2  PRO   2           2HB      PRO   2   0.028   9.018  -7.427
   14    HB3  PRO   2           1HB      PRO   2  -1.655   9.577  -7.535
   15    HG2  PRO   2           2HG      PRO   2   0.835  10.867  -8.509
   16    HG3  PRO   2           1HG      PRO   2  -0.787  10.857  -9.218
   17    HD2  PRO   2           2HD      PRO   2   0.293  12.963  -7.809
   18    HD3  PRO   2           1HD      PRO   2  -1.449  12.680  -8.025
   19    H    TYR   3           H        TYR   3   0.107   8.799  -4.148
   20    HA   TYR   3           HA       TYR   3   3.024   9.056  -4.493
   21    HB2  TYR   3           2HB      TYR   3   1.767  10.816  -2.848
   22    HB3  TYR   3           1HB      TYR   3   2.086   9.497  -1.717
   23    HD1  TYR   3           1HD      TYR   3   3.957  10.982  -4.620
   24    HD2  TYR   3           2HD      TYR   3   4.014   9.873  -0.471
   25    HE1  TYR   3           1HE      TYR   3   6.330  11.687  -4.464
   26    HE2  TYR   3           2HE      TYR   3   6.388  10.577  -0.315
   27    HH   TYR   3           HH       TYR   3   7.873  12.513  -2.468
   28    H    CYS   4           H        CYS   4   0.332   7.696  -2.665
   29    HA   CYS   4           HA       CYS   4   0.089   5.585  -1.609
   30    HB2  CYS   4           2HB      CYS   4   0.229   4.990  -3.994
   31    HB3  CYS   4           1HB      CYS   4   1.989   4.972  -3.901
   32    H    GLY   5           H        GLY   5   2.227   7.366  -0.611
   33    HA2  GLY   5           2HA      GLY   5   3.983   7.237   0.941
   34    HA3  GLY   5           1HA      GLY   5   3.597   5.520   1.105
   35    H    GLN   6           H        GLN   6   6.270   6.448   1.080
   36    HA   GLN   6           HA       GLN   6   7.397   6.119  -1.603
   37    HB2  GLN   6           2HB      GLN   6   8.294   6.640   1.188
   38    HB3  GLN   6           1HB      GLN   6   9.484   5.900   0.110
   39    HG2  GLN   6           2HG      GLN   6   7.983   8.116  -1.117
   40    HG3  GLN   6           1HG      GLN   6   8.971   8.601   0.260
   41   HE21  GLN   6          1HE2      GLN   6   9.417   6.250  -2.457
   42   HE22  GLN   6          2HE2      GLN   6  10.967   6.823  -2.881
   43    H    THR   7           H        THR   7   6.325   4.003   0.871
   44    HA   THR   7           HA       THR   7   7.673   1.715  -0.502
   45    HB   THR   7           HB       THR   7   7.756   0.895   2.056
   46    HG1  THR   7           1HG      THR   7   6.813   3.064   2.560
   47   HG21  THR   7          3HG2      THR   7   9.573   1.923   0.157
   48   HG22  THR   7          1HG2      THR   7   9.949   0.944   1.575
   49   HG23  THR   7          2HG2      THR   7   9.971   2.703   1.688
   50    H    GLY   8           H        GLY   8   6.417  -0.185  -0.534
   51    HA2  GLY   8           2HA      GLY   8   3.621  -0.002  -0.539
   52    HA3  GLY   8           1HA      GLY   8   4.498  -1.522  -0.337
   53    H    ALA   9           H        ALA   9   5.794  -0.733   2.156
   54    HA   ALA   9           HA       ALA   9   4.029  -1.727   4.086
   55    HB1  ALA   9           1HB      ALA   9   5.583  -0.264   5.625
   56    HB2  ALA   9           2HB      ALA   9   6.412   0.111   4.115
   57    HB3  ALA   9           3HB      ALA   9   6.298  -1.560   4.666
   58    H    GLU  10           H        GLU  10   4.181   1.500   2.725
   59    HA   GLU  10           HA       GLU  10   2.509   2.693   4.835
   60    HB2  GLU  10           2HB      GLU  10   3.410   3.729   2.127
   61    HB3  GLU  10           1HB      GLU  10   2.790   4.702   3.461
   62    HG2  GLU  10           2HG      GLU  10   5.212   2.929   3.796
   63    HG3  GLU  10           1HG      GLU  10   5.352   4.584   3.192
   64    H    CYS  11           H        CYS  11   2.109   1.577   1.472
   65    HA   CYS  11           HA       CYS  11  -0.687   2.469   1.354
   66    HB2  CYS  11           2HB      CYS  11   1.386   1.325  -0.393
   67    HB3  CYS  11           1HB      CYS  11  -0.240   0.745  -0.753
   68    H    TYR  12           H        TYR  12   1.040  -0.454   2.219
   69    HA   TYR  12           HA       TYR  12  -0.698  -2.553   1.829
   70    HB2  TYR  12           2HB      TYR  12   1.210  -3.087   2.998
   71    HB3  TYR  12           1HB      TYR  12   1.127  -1.655   4.007
   72    HD1  TYR  12           1HD      TYR  12  -1.494  -4.242   3.379
   73    HD2  TYR  12           2HD      TYR  12   1.213  -2.498   6.223
   74    HE1  TYR  12           1HE      TYR  12  -2.534  -5.574   5.188
   75    HE2  TYR  12           2HE      TYR  12   0.162  -3.827   8.034
   76    HH   TYR  12           HH       TYR  12  -1.304  -5.423   8.527
   77    H    SER  13           H        SER  13  -1.130   0.159   3.997
   78    HA   SER  13           HA       SER  13  -3.409  -0.924   5.440
   79    HB2  SER  13           2HB      SER  13  -3.555   1.453   6.219
   80    HB3  SER  13           1HB      SER  13  -1.930   0.788   6.359
   81    HG   SER  13           HG       SER  13  -2.941   2.746   4.668
   82    H    TRP  14           H        TRP  14  -3.066   1.382   2.720
   83    HA   TRP  14           HA       TRP  14  -5.848   1.999   2.441
   84    HB2  TRP  14           2HB      TRP  14  -4.113   3.356   1.455
   85    HB3  TRP  14           1HB      TRP  14  -3.495   1.983   0.530
   86    HD1  TRP  14           HD       TRP  14  -6.778   4.005   0.857
   87    HE1  TRP  14           1HE      TRP  14  -7.889   4.108  -1.466
   88    HE3  TRP  14           3HE      TRP  14  -3.503   1.138  -1.815
   89    HZ2  TRP  14           2HZ      TRP  14  -7.448   3.106  -4.107
   90    HZ3  TRP  14           3HZ      TRP  14  -3.874   0.731  -4.231
   91    HH2  TRP  14           HH       TRP  14  -5.841   1.710  -5.380
   92    H    CYS  15           H        CYS  15  -3.872  -0.124   0.341
   93    HA   CYS  15           HA       CYS  15  -5.762  -1.274  -1.287
   94    HB2  CYS  15           2HB      CYS  15  -4.309  -3.423  -0.921
   95    HB3  CYS  15           1HB      CYS  15  -3.526  -1.970  -1.540
   96    H    ILE  16           H        ILE  16  -5.082  -2.370   2.055
   97    HA   ILE  16           HA       ILE  16  -6.970  -4.502   2.107
   98    HB   ILE  16           HB       ILE  16  -5.602  -2.728   4.107
   99   HG12  ILE  16          2HG1      ILE  16  -5.481  -5.550   3.106
  100   HG13  ILE  16          1HG1      ILE  16  -4.168  -4.415   3.402
  101   HG21  ILE  16          1HG2      ILE  16  -7.892  -3.165   5.002
  102   HG22  ILE  16          2HG2      ILE  16  -6.636  -3.963   5.950
  103   HG23  ILE  16          3HG2      ILE  16  -7.609  -4.894   4.809
  104   HD11  ILE  16          3HD1      ILE  16  -4.225  -6.302   5.044
  105   HD12  ILE  16          1HD1      ILE  16  -5.805  -5.740   5.583
  106   HD13  ILE  16          2HD1      ILE  16  -4.385  -4.721   5.808
  107    H    LYS  17           H        LYS  17  -7.463  -1.085   2.091
  108    HA   LYS  17           HA       LYS  17  -9.889  -0.806   3.540
  109    HB2  LYS  17           2HB      LYS  17  -8.352   0.941   2.471
  110    HB3  LYS  17           1HB      LYS  17  -9.162   0.581   0.946
  111    HG2  LYS  17           2HG      LYS  17 -11.253   0.924   2.770
  112    HG3  LYS  17           1HG      LYS  17 -10.097   2.189   3.189
  113    HD2  LYS  17           2HD      LYS  17 -10.087   3.029   0.924
  114    HD3  LYS  17           1HD      LYS  17 -11.043   1.659   0.359
  115    HE2  LYS  17           2HE      LYS  17 -13.014   2.501   1.226
  116    HE3  LYS  17           1HE      LYS  17 -12.192   3.324   2.566
  117    HZ1  LYS  17           3HZ      LYS  17 -12.570   5.104   1.211
  118    HZ2  LYS  17           1HZ      LYS  17 -12.530   4.185  -0.215
  119    HZ3  LYS  17           2HZ      LYS  17 -11.081   4.600   0.569
  120    H    GLN  18           H        GLN  18  -9.351  -1.678   0.112
  121    HA   GLN  18           HA       GLN  18 -11.943  -1.788  -0.878
  122    HB2  GLN  18           2HB      GLN  18  -9.645  -3.746  -1.204
  123    HB3  GLN  18           1HB      GLN  18 -11.038  -3.659  -2.285
  124    HG2  GLN  18           2HG      GLN  18  -9.090  -1.401  -1.727
  125    HG3  GLN  18           1HG      GLN  18  -9.156  -2.367  -3.206
  126   HE21  GLN  18          1HE2      GLN  18  -9.954   0.620  -2.253
  127   HE22  GLN  18          2HE2      GLN  18 -11.398   0.864  -3.113
  128    H    ASP  19           H        ASP  19 -10.476  -3.872   1.525
  129    HA   ASP  19           HA       ASP  19 -11.491  -5.439   2.976
  130    HB2  ASP  19           2HB      ASP  19 -13.423  -3.643   2.358
  131    HB3  ASP  19           1HB      ASP  19 -14.145  -5.107   1.681
  132    H    LEU  20           H        LEU  20 -10.357  -6.269   0.412
  133    HA   LEU  20           HA       LEU  20 -12.215  -8.336  -0.617
  134    HB2  LEU  20           2HB      LEU  20  -9.319  -7.964  -1.370
  135    HB3  LEU  20           1HB      LEU  20 -10.648  -8.532  -2.376
  136    HG   LEU  20           HG       LEU  20 -10.172  -5.707  -1.393
  137   HD11  LEU  20          1HD1      LEU  20 -10.692  -6.388  -4.239
  138   HD12  LEU  20          2HD1      LEU  20  -9.153  -6.941  -3.580
  139   HD13  LEU  20          3HD1      LEU  20  -9.559  -5.226  -3.549
  140   HD21  LEU  20          3HD2      LEU  20 -12.513  -6.741  -3.019
  141   HD22  LEU  20          1HD2      LEU  20 -12.287  -5.106  -2.398
  142   HD23  LEU  20          2HD2      LEU  20 -12.594  -6.439  -1.283
  143    H    SER  21           H        SER  21  -9.112  -8.103   1.113
  144    HA   SER  21           HA       SER  21  -9.434 -10.312   2.811
  145    HB2  SER  21           2HB      SER  21  -9.081 -11.011   0.027
  146    HB3  SER  21           1HB      SER  21  -7.729 -11.631   0.968
  147    HG   SER  21           HG       SER  21 -10.034 -12.732   0.768
  148    H    LYS  22           H        LYS  22  -7.672 -10.294   4.214
  149    HA   LYS  22           HA       LYS  22  -5.658  -8.354   4.139
  150    HB2  LYS  22           2HB      LYS  22  -4.586  -9.747   5.843
  151    HB3  LYS  22           1HB      LYS  22  -6.336  -9.831   6.051
  152    HG2  LYS  22           2HG      LYS  22  -5.681 -11.865   4.207
  153    HG3  LYS  22           1HG      LYS  22  -4.476 -11.970   5.491
  154    HD2  LYS  22           2HD      LYS  22  -6.155 -12.200   7.178
  155    HD3  LYS  22           1HD      LYS  22  -7.440 -11.746   6.057
  156    HE2  LYS  22           2HE      LYS  22  -6.466 -13.866   4.711
  157    HE3  LYS  22           1HE      LYS  22  -6.039 -14.361   6.362
  158    HZ1  LYS  22           3HZ      LYS  22  -8.335 -13.744   7.024
  159    HZ2  LYS  22           1HZ      LYS  22  -8.276 -15.052   5.946
  160    HZ3  LYS  22           2HZ      LYS  22  -8.713 -13.509   5.384
  161    H    ASP  23           H        ASP  23  -5.855 -11.345   2.371
  162    HA   ASP  23           HA       ASP  23  -2.988 -11.306   1.632
  163    HB2  ASP  23           2HB      ASP  23  -4.670 -13.312   2.098
  164    HB3  ASP  23           1HB      ASP  23  -5.072 -13.076   0.397
  165    H    TRP  24           H        TRP  24  -5.936  -9.954   0.568
  166    HA   TRP  24           HA       TRP  24  -5.478  -9.947  -2.284
  167    HB2  TRP  24           2HB      TRP  24  -7.597  -9.149  -2.159
  168    HB3  TRP  24           1HB      TRP  24  -7.455  -9.202  -0.403
  169    HD1  TRP  24           HD       TRP  24  -7.506  -6.961   0.839
  170    HE1  TRP  24           1HE      TRP  24  -7.465  -4.482   0.136
  171    HE3  TRP  24           3HE      TRP  24  -6.552  -7.479  -4.149
  172    HZ2  TRP  24           2HZ      TRP  24  -7.078  -2.923  -2.235
  173    HZ3  TRP  24           3HZ      TRP  24  -6.351  -5.484  -5.606
  174    HH2  TRP  24           HH       TRP  24  -6.613  -3.209  -4.656
  175    H    CYS  25           H        CYS  25  -4.997  -7.444   0.246
  176    HA   CYS  25           HA       CYS  25  -3.723  -5.560  -1.533
  177    HB2  CYS  25           2HB      CYS  25  -4.651  -4.657   0.425
  178    HB3  CYS  25           1HB      CYS  25  -4.037  -5.970   1.434
  179    H    CYS  26           H        CYS  26  -2.472  -8.003   0.748
  180    HA   CYS  26           HA       CYS  26   0.247  -7.504   0.765
  181    HB2  CYS  26           2HB      CYS  26  -1.492  -9.932   0.702
  182    HB3  CYS  26           1HB      CYS  26   0.244 -10.182   0.510
  183    H    ASP  27           H        ASP  27  -1.663  -8.818  -1.912
  184    HA   ASP  27           HA       ASP  27   0.722  -9.280  -3.578
  185    HB2  ASP  27           2HB      ASP  27  -2.131  -9.929  -3.522
  186    HB3  ASP  27           1HB      ASP  27  -1.565  -9.509  -5.139
  187    H    PHE  28           H        PHE  28  -1.657  -6.739  -3.098
  188    HA   PHE  28           HA       PHE  28  -1.388  -5.474  -5.674
  189    HB2  PHE  28           2HB      PHE  28  -3.266  -4.945  -4.310
  190    HB3  PHE  28           1HB      PHE  28  -2.245  -4.588  -2.912
  191    HD1  PHE  28           1HD      PHE  28  -3.183  -3.423  -6.320
  192    HD2  PHE  28           2HD      PHE  28  -1.284  -2.430  -2.597
  193    HE1  PHE  28           1HE      PHE  28  -3.034  -1.051  -7.028
  194    HE2  PHE  28           2HE      PHE  28  -1.136  -0.060  -3.304
  195    HZ   PHE  28           HZ       PHE  28  -2.010   0.632  -5.521
  196    H    VAL  29           H        VAL  29  -0.130  -4.267  -2.541
  197    HA   VAL  29           HA       VAL  29   1.604  -2.319  -3.487
  198    HB   VAL  29           HB       VAL  29   1.754  -2.294  -1.220
  199   HG11  VAL  29          1HG1      VAL  29   1.301  -5.271  -1.316
  200   HG12  VAL  29          2HG1      VAL  29   0.217  -4.014  -0.716
  201   HG13  VAL  29          3HG1      VAL  29   1.672  -4.425   0.189
  202   HG21  VAL  29          3HG2      VAL  29   3.724  -3.399  -0.262
  203   HG22  VAL  29          1HG2      VAL  29   4.098  -2.727  -1.849
  204   HG23  VAL  29          2HG2      VAL  29   3.820  -4.459  -1.667
  205    H    LYS  30           H        LYS  30   2.139  -5.803  -3.471
  206    HA   LYS  30           HA       LYS  30   4.894  -5.687  -4.388
  207    HB2  LYS  30           2HB      LYS  30   4.077  -7.603  -3.191
  208    HB3  LYS  30           1HB      LYS  30   2.721  -7.796  -4.300
  209    HG2  LYS  30           2HG      LYS  30   4.738  -7.983  -6.073
  210    HG3  LYS  30           1HG      LYS  30   5.575  -8.575  -4.638
  211    HD2  LYS  30           2HD      LYS  30   4.481 -10.539  -4.729
  212    HD3  LYS  30           1HD      LYS  30   2.920  -9.720  -4.811
  213    HE2  LYS  30           2HE      LYS  30   4.362  -9.440  -7.324
  214    HE3  LYS  30           1HE      LYS  30   4.136 -11.148  -6.895
  215    HZ1  LYS  30           3HZ      LYS  30   2.078  -9.032  -7.132
  216    HZ2  LYS  30           1HZ      LYS  30   1.787 -10.464  -6.271
  217    HZ3  LYS  30           2HZ      LYS  30   2.142 -10.529  -7.931
  218    H    ASP  31           H        ASP  31   1.764  -5.598  -5.964
  219    HA   ASP  31           HA       ASP  31   2.784  -6.276  -8.628
  220    HB2  ASP  31           2HB      ASP  31   0.223  -5.598  -7.281
  221    HB3  ASP  31           1HB      ASP  31   0.316  -5.212  -8.999
  222    H    ILE  32           H        ILE  32   2.227  -3.376  -6.733
  223    HA   ILE  32           HA       ILE  32   2.377  -1.551  -9.023
  224    HB   ILE  32           HB       ILE  32   2.420   0.136  -7.133
  225   HG12  ILE  32          2HG1      ILE  32   1.951  -2.215  -5.310
  226   HG13  ILE  32          1HG1      ILE  32   3.591  -1.647  -5.622
  227   HG21  ILE  32          1HG2      ILE  32   0.312  -2.045  -7.074
  228   HG22  ILE  32          2HG2      ILE  32   0.293  -0.592  -8.074
  229   HG23  ILE  32          3HG2      ILE  32   0.129  -0.459  -6.323
  230   HD11  ILE  32          3HD1      ILE  32   3.223  -0.160  -3.957
  231   HD12  ILE  32          1HD1      ILE  32   1.482  -0.439  -3.985
  232   HD13  ILE  32          2HD1      ILE  32   2.210   0.698  -5.118
  233    H    ARG  33           H        ARG  33   4.628  -3.253  -8.994
  234    HA   ARG  33           HA       ARG  33   6.994  -3.273  -8.842
  235    HB2  ARG  33           2HB      ARG  33   7.870  -1.367 -10.063
  236    HB3  ARG  33           1HB      ARG  33   6.295  -1.780 -10.738
  237    HG2  ARG  33           2HG      ARG  33   5.229   0.032  -9.597
  238    HG3  ARG  33           1HG      ARG  33   6.649   0.325  -8.594
  239    HD2  ARG  33           2HD      ARG  33   7.938   0.983 -10.608
  240    HD3  ARG  33           1HD      ARG  33   6.495   0.717 -11.605
  241    HE   ARG  33           HE       ARG  33   6.918   2.968  -9.792
  242   HH11  ARG  33          1HH2      ARG  33   4.646   0.878 -11.338
  243   HH12  ARG  33          2HH2      ARG  33   3.345   2.016 -11.254
  244   HH21  ARG  33          1HH1      ARG  33   5.228   4.461  -9.673
  245   HH22  ARG  33          2HH1      ARG  33   3.674   4.043 -10.313
  246    H    MET  34           H        MET  34   5.954  -2.870  -6.245
  247    HA   MET  34           HA       MET  34   7.899  -0.866  -5.139
  248    HB2  MET  34           2HB      MET  34   5.048  -1.563  -4.462
  249    HB3  MET  34           1HB      MET  34   6.102  -0.881  -3.225
  250    HG2  MET  34           2HG      MET  34   6.390   0.600  -5.690
  251    HG3  MET  34           1HG      MET  34   4.689   0.531  -5.217
  252    HE1  MET  34           3HE      MET  34   4.292   3.283  -3.149
  253    HE2  MET  34           1HE      MET  34   3.904   2.270  -4.546
  254    HE3  MET  34           2HE      MET  34   5.075   3.576  -4.698
  255    H    ASN  35           H        ASN  35   8.203  -1.510  -2.626
  256    HA   ASN  35           HA       ASN  35   8.994  -4.379  -2.667
  257    HB2  ASN  35           2HB      ASN  35  10.677  -3.734  -1.174
  258    HB3  ASN  35           1HB      ASN  35  10.478  -2.274  -2.137
  259   HD21  ASN  35          1HD2      ASN  35   9.634  -3.759   0.996
  260   HD22  ASN  35          2HD2      ASN  35   9.292  -2.286   1.788
  261    HA   PRO  36           HA       PRO  36   5.422  -4.887   0.001
  262    HB2  PRO  36           2HB      PRO  36   5.298  -7.596  -0.261
  263    HB3  PRO  36           1HB      PRO  36   4.649  -6.477  -1.478
  264    HG2  PRO  36           2HG      PRO  36   7.127  -8.089  -1.525
  265    HG3  PRO  36           1HG      PRO  36   6.099  -7.554  -2.860
  266    HD2  PRO  36           2HD      PRO  36   8.536  -6.417  -2.120
  267    HD3  PRO  36           1HD      PRO  36   7.315  -5.671  -3.173
  268    HA   PRO  37           HA       PRO  37   8.003  -6.084   3.433
  269    HB2  PRO  37           2HB      PRO  37   6.286  -5.252   5.395
  270    HB3  PRO  37           1HB      PRO  37   7.319  -4.134   4.483
  271    HG2  PRO  37           2HG      PRO  37   4.422  -4.670   4.219
  272    HG3  PRO  37           1HG      PRO  37   5.329  -3.178   3.937
  273    HD2  PRO  37           2HD      PRO  37   4.402  -4.911   1.966
  274    HD3  PRO  37           1HD      PRO  37   5.656  -3.668   1.750
  275    H    ALA  38           H        ALA  38   8.070  -8.112   4.367
  276    HA   ALA  38           HA       ALA  38   5.724  -9.865   4.142
  277    HB1  ALA  38           1HB      ALA  38   7.602 -11.095   3.709
  278    HB2  ALA  38           2HB      ALA  38   7.659 -11.271   5.462
  279    HB3  ALA  38           3HB      ALA  38   8.632 -10.032   4.668
  280    H    ASP  39           H        ASP  39   6.991  -7.749   6.517
  281    HA   ASP  39           HA       ASP  39   6.079  -9.258   8.861
  282    HB2  ASP  39           2HB      ASP  39   7.375  -6.658   8.202
  283    HB3  ASP  39           1HB      ASP  39   6.504  -6.739   9.734
  284    H    LYS  40           H        LYS  40   4.776  -6.795   6.707
  285    HA   LYS  40           HA       LYS  40   2.434  -6.356   8.489
  286    HB2  LYS  40           2HB      LYS  40   2.949  -5.138   5.774
  287    HB3  LYS  40           1HB      LYS  40   2.047  -4.457   7.124
  288    HG2  LYS  40           2HG      LYS  40   5.040  -4.859   6.965
  289    HG3  LYS  40           1HG      LYS  40   4.178  -3.323   7.000
  290    HD2  LYS  40           2HD      LYS  40   3.281  -4.789   9.249
  291    HD3  LYS  40           1HD      LYS  40   5.038  -4.947   9.218
  292    HE2  LYS  40           2HE      LYS  40   4.739  -2.286   8.620
  293    HE3  LYS  40           1HE      LYS  40   3.387  -2.555   9.738
  294    HZ1  LYS  40           3HZ      LYS  40   5.392  -2.093  10.985
  295    HZ2  LYS  40           1HZ      LYS  40   6.221  -3.338  10.186
  296    HZ3  LYS  40           2HZ      LYS  40   4.932  -3.711  11.229
  297    H    CYS  41           H        CYS  41   3.158  -8.812   6.612
  298    HA   CYS  41           HA       CYS  41   0.505  -8.885   5.210
  299    HB2  CYS  41           2HB      CYS  41   3.278  -9.510   4.461
  300    HB3  CYS  41           1HB      CYS  41   2.138 -10.795   4.046
  301    HA   PRO  42           HA       PRO  42   0.416 -12.180   8.415
  302    HB2  PRO  42           2HB      PRO  42  -2.220 -11.830   9.050
  303    HB3  PRO  42           1HB      PRO  42  -0.916 -10.882   9.791
  304    HG2  PRO  42           2HG      PRO  42  -2.798 -10.133   7.615
  305    HG3  PRO  42           1HG      PRO  42  -2.146  -9.149   8.934
  306    HD2  PRO  42           2HD      PRO  42  -1.228  -9.052   6.353
  307    HD3  PRO  42           1HD      PRO  42  -0.248  -8.624   7.776
  Start of MODEL    7
    1    H1   ILE   1           H        ILE   1  -0.098   8.484 -12.064
    2    HA   ILE   1           HA       ILE   1   1.115  10.747 -10.511
    3    HB   ILE   1           HB       ILE   1  -1.634   9.536 -10.141
    4   HG12  ILE   1          2HG1      ILE   1  -1.754  12.211 -11.133
    5   HG13  ILE   1          1HG1      ILE   1  -0.715  11.288 -12.214
    6   HG21  ILE   1          1HG2      ILE   1  -1.907  11.872  -9.019
    7   HG22  ILE   1          2HG2      ILE   1  -0.142  11.886  -8.991
    8   HG23  ILE   1          3HG2      ILE   1  -1.028  10.618  -8.145
    9   HD11  ILE   1          3HD1      ILE   1  -3.537  10.575 -11.372
   10   HD12  ILE   1          1HD1      ILE   1  -2.488   9.516 -12.315
   11   HD13  ILE   1          2HD1      ILE   1  -3.008  11.064 -12.982
   12    HA   PRO   2           HA       PRO   2   2.259   6.838  -8.451
   13    HB2  PRO   2           2HB      PRO   2   4.668   7.763  -7.539
   14    HB3  PRO   2           1HB      PRO   2   4.443   7.109  -9.176
   15    HG2  PRO   2           2HG      PRO   2   4.623   9.934  -8.274
   16    HG3  PRO   2           1HG      PRO   2   5.234   9.178  -9.752
   17    HD2  PRO   2           2HD      PRO   2   2.947  10.694  -9.623
   18    HD3  PRO   2           1HD      PRO   2   3.256   9.451 -10.858
   19    H    TYR   3           H        TYR   3   0.372   7.800  -7.069
   20    HA   TYR   3           HA       TYR   3   1.409   9.179  -4.629
   21    HB2  TYR   3           2HB      TYR   3  -0.706   9.678  -6.329
   22    HB3  TYR   3           1HB      TYR   3  -1.499   8.839  -4.996
   23    HD1  TYR   3           2HD      TYR   3   0.463  11.800  -5.981
   24    HD2  TYR   3           1HD      TYR   3  -1.523   9.804  -2.735
   25    HE1  TYR   3           2HE      TYR   3   0.620  13.862  -4.613
   26    HE2  TYR   3           1HE      TYR   3  -1.364  11.865  -1.371
   27    HH   TYR   3           HH       TYR   3  -0.854  14.804  -2.529
   28    H    CYS   4           H        CYS   4  -1.274   8.119  -3.410
   29    HA   CYS   4           HA       CYS   4  -2.000   6.247  -2.176
   30    HB2  CYS   4           2HB      CYS   4  -1.792   4.398  -3.460
   31    HB3  CYS   4           1HB      CYS   4  -0.615   5.240  -4.453
   32    H    GLY   5           H        GLY   5   0.766   7.912  -1.892
   33    HA2  GLY   5           2HA      GLY   5   1.535   8.081   0.527
   34    HA3  GLY   5           1HA      GLY   5   1.718   6.325   0.459
   35    H    GLN   6           H        GLN   6   3.964   6.270   0.751
   36    HA   GLN   6           HA       GLN   6   5.578   7.473  -1.469
   37    HB2  GLN   6           2HB      GLN   6   5.585   8.177   1.195
   38    HB3  GLN   6           1HB      GLN   6   6.898   6.997   1.128
   39    HG2  GLN   6           2HG      GLN   6   7.986   8.238  -0.659
   40    HG3  GLN   6           1HG      GLN   6   6.627   9.358  -0.756
   41   HE21  GLN   6          1HE2      GLN   6   8.851   8.093   1.803
   42   HE22  GLN   6          2HE2      GLN   6   9.067   9.608   2.558
   43    H    THR   7           H        THR   7   5.197   4.817   0.856
   44    HA   THR   7           HA       THR   7   6.964   3.140  -0.898
   45    HB   THR   7           HB       THR   7   7.788   2.094   1.117
   46    HG1  THR   7           1HG      THR   7   5.682   3.544   2.313
   47   HG21  THR   7          3HG2      THR   7   9.146   3.817   1.650
   48   HG22  THR   7          1HG2      THR   7   7.806   4.788   2.255
   49   HG23  THR   7          2HG2      THR   7   8.179   4.777   0.530
   50    H    GLY   8           H        GLY   8   6.389   0.779  -0.764
   51    HA2  GLY   8           2HA      GLY   8   3.538   0.396  -1.068
   52    HA3  GLY   8           1HA      GLY   8   4.757  -0.884  -1.099
   53    H    ALA   9           H        ALA   9   5.562   0.510   1.647
   54    HA   ALA   9           HA       ALA   9   4.208  -1.459   3.306
   55    HB1  ALA   9           1HB      ALA   9   6.057   0.890   3.796
   56    HB2  ALA   9           2HB      ALA   9   6.473  -0.825   3.787
   57    HB3  ALA   9           3HB      ALA   9   5.492  -0.163   5.095
   58    H    GLU  10           H        GLU  10   4.046   2.113   3.030
   59    HA   GLU  10           HA       GLU  10   1.919   2.312   5.017
   60    HB2  GLU  10           2HB      GLU  10   2.330   4.573   4.808
   61    HB3  GLU  10           1HB      GLU  10   3.821   3.970   4.094
   62    HG2  GLU  10           2HG      GLU  10   2.926   4.241   1.852
   63    HG3  GLU  10           1HG      GLU  10   1.337   4.670   2.498
   64    H    CYS  11           H        CYS  11   2.084   2.053   1.503
   65    HA   CYS  11           HA       CYS  11  -0.620   2.888   0.946
   66    HB2  CYS  11           2HB      CYS  11   1.519   2.528  -0.543
   67    HB3  CYS  11           1HB      CYS  11   0.921   0.874  -0.675
   68    H    TYR  12           H        TYR  12   0.857  -0.219   1.785
   69    HA   TYR  12           HA       TYR  12  -1.230  -2.011   1.170
   70    HB2  TYR  12           2HB      TYR  12   1.193  -2.264   2.159
   71    HB3  TYR  12           1HB      TYR  12   0.374  -2.178   3.714
   72    HD1  TYR  12           2HD      TYR  12  -1.887  -3.706   3.781
   73    HD2  TYR  12           1HD      TYR  12   1.553  -4.384   1.302
   74    HE1  TYR  12           2HE      TYR  12  -2.512  -6.093   3.569
   75    HE2  TYR  12           1HE      TYR  12   0.931  -6.774   1.095
   76    HH   TYR  12           HH       TYR  12  -2.050  -7.961   1.795
   77    H    SER  13           H        SER  13  -1.115   0.472   3.623
   78    HA   SER  13           HA       SER  13  -3.176  -0.692   5.336
   79    HB2  SER  13           2HB      SER  13  -2.339   2.202   5.153
   80    HB3  SER  13           1HB      SER  13  -2.886   1.316   6.573
   81    HG   SER  13           HG       SER  13  -0.973   0.251   6.644
   82    H    TRP  14           H        TRP  14  -3.137   1.537   2.590
   83    HA   TRP  14           HA       TRP  14  -5.906   2.402   2.966
   84    HB2  TRP  14           2HB      TRP  14  -4.099   3.751   1.911
   85    HB3  TRP  14           1HB      TRP  14  -4.018   2.575   0.594
   86    HD1  TRP  14           HD       TRP  14  -6.824   4.635   2.314
   87    HE1  TRP  14           1HE      TRP  14  -8.401   5.517   0.474
   88    HE3  TRP  14           3HE      TRP  14  -4.580   2.625  -1.810
   89    HZ2  TRP  14           2HZ      TRP  14  -8.673   5.386  -2.373
   90    HZ3  TRP  14           3HZ      TRP  14  -5.517   3.017  -4.069
   91    HH2  TRP  14           HH       TRP  14  -7.559   4.394  -4.356
   92    H    CYS  15           H        CYS  15  -4.252   0.321   0.561
   93    HA   CYS  15           HA       CYS  15  -6.353  -0.486  -1.041
   94    HB2  CYS  15           2HB      CYS  15  -5.041  -2.548  -1.327
   95    HB3  CYS  15           1HB      CYS  15  -3.963  -1.157  -1.185
   96    H    ILE  16           H        ILE  16  -5.704  -1.608   2.281
   97    HA   ILE  16           HA       ILE  16  -7.573  -3.784   2.284
   98    HB   ILE  16           HB       ILE  16  -6.779  -2.029   4.616
   99   HG12  ILE  16          2HG1      ILE  16  -5.105  -3.515   2.779
  100   HG13  ILE  16          1HG1      ILE  16  -4.630  -2.520   4.149
  101   HG21  ILE  16          1HG2      ILE  16  -7.356  -5.001   4.409
  102   HG22  ILE  16          2HG2      ILE  16  -8.497  -3.793   4.999
  103   HG23  ILE  16          3HG2      ILE  16  -7.006  -4.108   5.888
  104   HD11  ILE  16          3HD1      ILE  16  -3.770  -4.686   4.626
  105   HD12  ILE  16          1HD1      ILE  16  -5.268  -5.474   4.130
  106   HD13  ILE  16          2HD1      ILE  16  -5.218  -4.539   5.623
  107    H    LYS  17           H        LYS  17  -8.089  -0.343   2.413
  108    HA   LYS  17           HA       LYS  17 -10.430  -0.060   3.917
  109    HB2  LYS  17           2HB      LYS  17  -8.949   1.457   2.181
  110    HB3  LYS  17           1HB      LYS  17 -10.442   1.253   1.267
  111    HG2  LYS  17           2HG      LYS  17 -10.454   2.093   4.170
  112    HG3  LYS  17           1HG      LYS  17 -10.327   3.268   2.861
  113    HD2  LYS  17           2HD      LYS  17 -12.418   2.215   1.867
  114    HD3  LYS  17           1HD      LYS  17 -12.591   1.331   3.384
  115    HE2  LYS  17           2HE      LYS  17 -12.477   4.360   3.117
  116    HE3  LYS  17           1HE      LYS  17 -13.929   3.402   3.468
  117    HZ1  LYS  17           3HZ      LYS  17 -12.877   4.203   5.510
  118    HZ2  LYS  17           1HZ      LYS  17 -11.438   3.405   5.093
  119    HZ3  LYS  17           2HZ      LYS  17 -12.842   2.505   5.421
  120    H    GLN  18           H        GLN  18  -9.982  -1.758   0.898
  121    HA   GLN  18           HA       GLN  18 -12.852  -1.901   0.272
  122    HB2  GLN  18           2HB      GLN  18 -10.591  -3.547  -0.872
  123    HB3  GLN  18           1HB      GLN  18 -12.080  -3.050  -1.670
  124    HG2  GLN  18           2HG      GLN  18  -9.658  -1.381  -0.989
  125    HG3  GLN  18           1HG      GLN  18 -10.452  -1.583  -2.554
  126   HE21  GLN  18          1HE2      GLN  18  -9.925   0.935  -0.896
  127   HE22  GLN  18          2HE2      GLN  18 -11.449   1.668  -0.742
  128    H    ASP  19           H        ASP  19 -11.054  -3.281   2.632
  129    HA   ASP  19           HA       ASP  19 -11.087  -5.354   3.787
  130    HB2  ASP  19           2HB      ASP  19 -13.382  -5.766   4.524
  131    HB3  ASP  19           1HB      ASP  19 -13.107  -4.026   4.394
  132    H    LEU  20           H        LEU  20 -10.510  -5.907   1.017
  133    HA   LEU  20           HA       LEU  20 -12.318  -7.984   0.035
  134    HB2  LEU  20           2HB      LEU  20  -9.415  -7.405  -0.630
  135    HB3  LEU  20           1HB      LEU  20 -10.548  -8.308  -1.628
  136    HG   LEU  20           HG       LEU  20 -10.535  -5.358  -1.014
  137   HD11  LEU  20          1HD1      LEU  20  -9.648  -5.310  -3.080
  138   HD12  LEU  20          2HD1      LEU  20 -11.159  -5.973  -3.702
  139   HD13  LEU  20          3HD1      LEU  20  -9.846  -7.055  -3.239
  140   HD21  LEU  20          3HD2      LEU  20 -12.796  -6.973  -2.234
  141   HD22  LEU  20          1HD2      LEU  20 -12.749  -5.216  -2.076
  142   HD23  LEU  20          2HD2      LEU  20 -12.830  -6.230  -0.635
  143    H    SER  21           H        SER  21  -8.986  -8.042   1.312
  144    HA   SER  21           HA       SER  21  -9.249 -10.096   3.204
  145    HB2  SER  21           2HB      SER  21  -8.228 -11.912   1.497
  146    HB3  SER  21           1HB      SER  21  -9.964 -11.720   1.726
  147    HG   SER  21           HG       SER  21  -8.309 -10.660  -0.313
  148    H    LYS  22           H        LYS  22  -7.219 -10.445   4.174
  149    HA   LYS  22           HA       LYS  22  -5.081  -8.703   3.801
  150    HB2  LYS  22           2HB      LYS  22  -3.796 -10.380   5.061
  151    HB3  LYS  22           1HB      LYS  22  -5.442 -10.292   5.687
  152    HG2  LYS  22           2HG      LYS  22  -5.422 -12.552   5.419
  153    HG3  LYS  22           1HG      LYS  22  -5.725 -12.174   3.724
  154    HD2  LYS  22           2HD      LYS  22  -3.815 -13.295   3.274
  155    HD3  LYS  22           1HD      LYS  22  -2.967 -11.909   3.960
  156    HE2  LYS  22           2HE      LYS  22  -2.260 -14.052   5.032
  157    HE3  LYS  22           1HE      LYS  22  -3.044 -12.971   6.200
  158    HZ1  LYS  22           3HZ      LYS  22  -4.897 -14.591   4.710
  159    HZ2  LYS  22           1HZ      LYS  22  -4.803 -14.318   6.381
  160    HZ3  LYS  22           2HZ      LYS  22  -3.832 -15.513   5.661
  161    H    ASP  23           H        ASP  23  -5.911 -11.494   1.877
  162    HA   ASP  23           HA       ASP  23  -3.276 -11.673   0.578
  163    HB2  ASP  23           2HB      ASP  23  -4.291 -13.540  -0.550
  164    HB3  ASP  23           1HB      ASP  23  -4.909 -13.573   1.102
  165    H    TRP  24           H        TRP  24  -6.183  -9.876   0.188
  166    HA   TRP  24           HA       TRP  24  -6.166  -9.534  -2.670
  167    HB2  TRP  24           2HB      TRP  24  -8.122  -8.573  -2.071
  168    HB3  TRP  24           1HB      TRP  24  -7.669  -8.762  -0.379
  169    HD1  TRP  24           HD       TRP  24  -7.374  -6.606   0.952
  170    HE1  TRP  24           1HE      TRP  24  -7.140  -4.104   0.374
  171    HE3  TRP  24           3HE      TRP  24  -7.087  -6.906  -4.129
  172    HZ2  TRP  24           2HZ      TRP  24  -6.866  -2.449  -1.945
  173    HZ3  TRP  24           3HZ      TRP  24  -6.840  -4.855  -5.503
  174    HH2  TRP  24           HH       TRP  24  -6.731  -2.629  -4.416
  175    H    CYS  25           H        CYS  25  -4.878  -7.496  -0.016
  176    HA   CYS  25           HA       CYS  25  -3.648  -5.603  -1.858
  177    HB2  CYS  25           2HB      CYS  25  -4.479  -5.292   0.574
  178    HB3  CYS  25           1HB      CYS  25  -2.940  -6.028   1.043
  179    H    CYS  26           H        CYS  26  -2.618  -8.496  -0.140
  180    HA   CYS  26           HA       CYS  26   0.141  -8.362  -0.120
  181    HB2  CYS  26           2HB      CYS  26  -1.916 -10.459  -0.596
  182    HB3  CYS  26           1HB      CYS  26  -0.250 -10.898  -0.972
  183    H    ASP  27           H        ASP  27  -1.832  -9.324  -2.962
  184    HA   ASP  27           HA       ASP  27   0.547  -9.319  -4.696
  185    HB2  ASP  27           2HB      ASP  27  -2.045 -10.475  -4.609
  186    HB3  ASP  27           1HB      ASP  27  -1.967  -9.503  -6.079
  187    H    PHE  28           H        PHE  28  -2.005  -7.079  -3.848
  188    HA   PHE  28           HA       PHE  28  -2.029  -5.493  -6.241
  189    HB2  PHE  28           2HB      PHE  28  -3.797  -5.202  -4.719
  190    HB3  PHE  28           1HB      PHE  28  -2.706  -5.109  -3.335
  191    HD1  PHE  28           1HD      PHE  28  -3.457  -3.302  -6.539
  192    HD2  PHE  28           2HD      PHE  28  -2.199  -3.021  -2.442
  193    HE1  PHE  28           1HE      PHE  28  -3.421  -0.829  -6.720
  194    HE2  PHE  28           2HE      PHE  28  -2.163  -0.551  -2.620
  195    HZ   PHE  28           HZ       PHE  28  -2.775   0.549  -4.761
  196    H    VAL  29           H        VAL  29  -0.519  -4.590  -3.103
  197    HA   VAL  29           HA       VAL  29   1.142  -2.567  -4.317
  198    HB   VAL  29           HB       VAL  29   0.409  -2.523  -1.976
  199   HG11  VAL  29          1HG1      VAL  29   2.333  -4.692  -1.247
  200   HG12  VAL  29          2HG1      VAL  29   0.748  -5.152  -1.868
  201   HG13  VAL  29          3HG1      VAL  29   0.870  -4.156  -0.418
  202   HG21  VAL  29          3HG2      VAL  29   3.412  -2.912  -2.072
  203   HG22  VAL  29          1HG2      VAL  29   2.503  -1.879  -0.967
  204   HG23  VAL  29          2HG2      VAL  29   2.599  -1.469  -2.680
  205    H    LYS  30           H        LYS  30   1.493  -6.002  -3.842
  206    HA   LYS  30           HA       LYS  30   4.400  -6.077  -4.133
  207    HB2  LYS  30           2HB      LYS  30   3.335  -7.867  -2.972
  208    HB3  LYS  30           1HB      LYS  30   2.120  -8.061  -4.236
  209    HG2  LYS  30           2HG      LYS  30   4.796  -8.357  -5.322
  210    HG3  LYS  30           1HG      LYS  30   4.522  -9.489  -3.998
  211    HD2  LYS  30           2HD      LYS  30   3.207 -10.760  -5.306
  212    HD3  LYS  30           1HD      LYS  30   2.165  -9.377  -5.644
  213    HE2  LYS  30           2HE      LYS  30   3.782  -8.647  -7.417
  214    HE3  LYS  30           1HE      LYS  30   4.697 -10.141  -7.138
  215    HZ1  LYS  30           3HZ      LYS  30   3.061 -11.424  -7.991
  216    HZ2  LYS  30           1HZ      LYS  30   2.674 -10.012  -8.846
  217    HZ3  LYS  30           2HZ      LYS  30   1.814 -10.412  -7.436
  218    H    ASP  31           H        ASP  31   1.625  -6.083  -6.277
  219    HA   ASP  31           HA       ASP  31   2.930  -7.147  -8.621
  220    HB2  ASP  31           2HB      ASP  31   0.498  -7.072  -8.276
  221    HB3  ASP  31           1HB      ASP  31   0.544  -5.309  -8.237
  222    H    ILE  32           H        ILE  32   2.922  -4.004  -7.095
  223    HA   ILE  32           HA       ILE  32   3.932  -2.651  -9.527
  224    HB   ILE  32           HB       ILE  32   3.908  -0.675  -7.930
  225   HG12  ILE  32          2HG1      ILE  32   2.481  -2.576  -6.058
  226   HG13  ILE  32          1HG1      ILE  32   4.200  -2.215  -5.892
  227   HG21  ILE  32          1HG2      ILE  32   1.236  -1.996  -7.740
  228   HG22  ILE  32          2HG2      ILE  32   1.912  -1.741  -9.349
  229   HG23  ILE  32          3HG2      ILE  32   1.648  -0.367  -8.276
  230   HD11  ILE  32          3HD1      ILE  32   3.475   0.269  -5.951
  231   HD12  ILE  32          1HD1      ILE  32   3.150  -0.641  -4.476
  232   HD13  ILE  32          2HD1      ILE  32   1.852  -0.341  -5.630
  233    H    ARG  33           H        ARG  33   5.473  -4.816  -8.110
  234    HA   ARG  33           HA       ARG  33   7.658  -5.205  -7.276
  235    HB2  ARG  33           2HB      ARG  33   7.771  -3.065  -9.390
  236    HB3  ARG  33           1HB      ARG  33   9.258  -3.649  -8.640
  237    HG2  ARG  33           2HG      ARG  33   7.196  -5.496  -9.867
  238    HG3  ARG  33           1HG      ARG  33   8.580  -4.868 -10.763
  239    HD2  ARG  33           2HD      ARG  33  10.134  -6.044  -9.434
  240    HD3  ARG  33           1HD      ARG  33   8.970  -6.264  -8.112
  241    HE   ARG  33           HE       ARG  33   8.058  -8.106  -9.288
  242   HH11  ARG  33          1HH2      ARG  33  10.028  -6.118 -11.312
  243   HH12  ARG  33          2HH2      ARG  33   9.950  -7.197 -12.664
  244   HH21  ARG  33          1HH1      ARG  33   7.951  -9.518 -11.045
  245   HH22  ARG  33          2HH1      ARG  33   8.776  -9.117 -12.514
  246    H    MET  34           H        MET  34   6.099  -3.327  -5.600
  247    HA   MET  34           HA       MET  34   7.988  -1.190  -4.847
  248    HB2  MET  34           2HB      MET  34   5.217  -2.075  -4.214
  249    HB3  MET  34           1HB      MET  34   6.063  -1.190  -2.944
  250    HG2  MET  34           2HG      MET  34   5.720  -0.249  -5.808
  251    HG3  MET  34           1HG      MET  34   4.814   0.352  -4.416
  252    HE1  MET  34           3HE      MET  34   5.384   2.565  -3.536
  253    HE2  MET  34           1HE      MET  34   5.521   2.672  -5.297
  254    HE3  MET  34           2HE      MET  34   6.706   3.470  -4.267
  255    H    ASN  35           H        ASN  35   8.060  -1.121  -2.173
  256    HA   ASN  35           HA       ASN  35   9.321  -3.731  -1.407
  257    HB2  ASN  35           2HB      ASN  35  10.510  -2.152   0.258
  258    HB3  ASN  35           1HB      ASN  35  10.934  -1.983  -1.446
  259   HD21  ASN  35          1HD2      ASN  35  10.250  -0.128   1.204
  260   HD22  ASN  35          2HD2      ASN  35   9.563   1.232   0.437
  261    HA   PRO  36           HA       PRO  36   5.650  -3.435   1.297
  262    HB2  PRO  36           2HB      PRO  36   5.254  -6.139   1.426
  263    HB3  PRO  36           1HB      PRO  36   4.634  -5.133   0.101
  264    HG2  PRO  36           2HG      PRO  36   7.019  -6.904   0.176
  265    HG3  PRO  36           1HG      PRO  36   5.879  -6.598  -1.143
  266    HD2  PRO  36           2HD      PRO  36   8.371  -5.471  -0.977
  267    HD3  PRO  36           1HD      PRO  36   7.009  -4.748  -1.859
  268    HA   PRO  37           HA       PRO  37   7.657  -4.498   5.064
  269    HB2  PRO  37           2HB      PRO  37   5.623  -5.490   6.599
  270    HB3  PRO  37           1HB      PRO  37   5.764  -3.771   6.184
  271    HG2  PRO  37           2HG      PRO  37   3.998  -5.858   5.025
  272    HG3  PRO  37           1HG      PRO  37   3.679  -4.143   5.314
  273    HD2  PRO  37           2HD      PRO  37   4.291  -5.215   2.858
  274    HD3  PRO  37           1HD      PRO  37   4.553  -3.513   3.307
  275    H    ALA  38           H        ALA  38   8.428  -6.328   6.371
  276    HA   ALA  38           HA       ALA  38   7.997  -8.965   5.016
  277    HB1  ALA  38           1HB      ALA  38  10.273  -8.297   4.881
  278    HB2  ALA  38           2HB      ALA  38  10.238  -9.416   6.244
  279    HB3  ALA  38           3HB      ALA  38  10.272  -7.677   6.532
  280    H    ASP  39           H        ASP  39   5.962  -8.787   6.515
  281    HA   ASP  39           HA       ASP  39   6.287 -10.633   8.706
  282    HB2  ASP  39           2HB      ASP  39   6.851  -7.888   9.211
  283    HB3  ASP  39           1HB      ASP  39   5.305  -8.240   9.986
  284    H    LYS  40           H        LYS  40   4.387  -8.095   7.151
  285    HA   LYS  40           HA       LYS  40   1.823  -9.196   8.101
  286    HB2  LYS  40           2HB      LYS  40   2.195  -6.776   7.850
  287    HB3  LYS  40           1HB      LYS  40   2.593  -6.999   6.146
  288    HG2  LYS  40           2HG      LYS  40   0.320  -6.325   6.138
  289    HG3  LYS  40           1HG      LYS  40   0.261  -8.076   5.928
  290    HD2  LYS  40           2HD      LYS  40  -0.339  -8.437   8.198
  291    HD3  LYS  40           1HD      LYS  40   0.109  -6.795   8.659
  292    HE2  LYS  40           2HE      LYS  40  -2.352  -7.013   8.496
  293    HE3  LYS  40           1HE      LYS  40  -1.748  -5.917   7.238
  294    HZ1  LYS  40           3HZ      LYS  40  -3.245  -7.605   6.316
  295    HZ2  LYS  40           1HZ      LYS  40  -2.226  -8.832   6.890
  296    HZ3  LYS  40           2HZ      LYS  40  -1.672  -7.761   5.692
  297    H    CYS  41           H        CYS  41   3.796  -9.105   5.152
  298    HA   CYS  41           HA       CYS  41   2.295 -11.413   4.078
  299    HB2  CYS  41           2HB      CYS  41   1.041  -9.336   3.438
  300    HB3  CYS  41           1HB      CYS  41   2.489  -8.770   2.596
  301    HA   PRO  42           HA       PRO  42   6.813 -11.197   3.059
  302    HB2  PRO  42           2HB      PRO  42   7.411 -13.713   3.951
  303    HB3  PRO  42           1HB      PRO  42   7.429 -12.285   5.004
  304    HG2  PRO  42           2HG      PRO  42   5.362 -14.402   4.722
  305    HG3  PRO  42           1HG      PRO  42   5.911 -13.547   6.170
  306    HD2  PRO  42           2HD      PRO  42   3.585 -12.972   4.842
  307    HD3  PRO  42           1HD      PRO  42   4.483 -11.795   5.831
  Start of MODEL    8
    1    H1   ILE   1           H        ILE   1   3.262  12.181 -11.097
    2    HA   ILE   1           HA       ILE   1   4.853  12.789  -8.671
    3    HB   ILE   1           HB       ILE   1   2.069  13.141  -9.680
    4   HG12  ILE   1          2HG1      ILE   1   2.583  15.299  -8.202
    5   HG13  ILE   1          1HG1      ILE   1   4.245  14.742  -8.400
    6   HG21  ILE   1          1HG2      ILE   1   1.281  12.191  -7.721
    7   HG22  ILE   1          2HG2      ILE   1   1.575  13.835  -7.155
    8   HG23  ILE   1          3HG2      ILE   1   2.753  12.564  -6.825
    9   HD11  ILE   1          3HD1      ILE   1   2.516  14.801 -10.832
   10   HD12  ILE   1          1HD1      ILE   1   4.244  15.113 -10.676
   11   HD13  ILE   1          2HD1      ILE   1   3.078  16.347 -10.197
   12    HA   PRO   2           HA       PRO   2   4.310   8.562  -7.395
   13    HB2  PRO   2           2HB      PRO   2   5.618   8.800  -5.006
   14    HB3  PRO   2           1HB      PRO   2   6.465   8.703  -6.565
   15    HG2  PRO   2           2HG      PRO   2   5.941  11.053  -4.840
   16    HG3  PRO   2           1HG      PRO   2   7.317  10.708  -5.896
   17    HD2  PRO   2           2HD      PRO   2   5.222  12.428  -6.493
   18    HD3  PRO   2           1HD      PRO   2   6.337  11.713  -7.680
   19    H    TYR   3           H        TYR   3   2.343   7.905  -6.600
   20    HA   TYR   3           HA       TYR   3   0.842   9.545  -4.693
   21    HB2  TYR   3           2HB      TYR   3  -0.444   8.530  -6.385
   22    HB3  TYR   3           1HB      TYR   3   0.437   7.003  -6.252
   23    HD1  TYR   3           1HD      TYR   3  -1.310   9.226  -3.772
   24    HD2  TYR   3           2HD      TYR   3  -0.946   5.302  -5.482
   25    HE1  TYR   3           1HE      TYR   3  -3.006   8.372  -2.176
   26    HE2  TYR   3           2HE      TYR   3  -2.644   4.450  -3.889
   27    HH   TYR   3           HH       TYR   3  -4.320   5.132  -2.451
   28    H    CYS   4           H        CYS   4   1.683   6.102  -4.663
   29    HA   CYS   4           HA       CYS   4   1.306   5.745  -1.842
   30    HB2  CYS   4           2HB      CYS   4   2.848   4.233  -3.969
   31    HB3  CYS   4           1HB      CYS   4   2.573   3.608  -2.343
   32    H    GLY   5           H        GLY   5   2.798   7.990  -1.738
   33    HA2  GLY   5           2HA      GLY   5   4.880   8.941  -1.128
   34    HA3  GLY   5           1HA      GLY   5   4.875   7.589   0.009
   35    H    GLN   6           H        GLN   6   6.482   6.103  -0.207
   36    HA   GLN   6           HA       GLN   6   7.753   5.690  -2.859
   37    HB2  GLN   6           2HB      GLN   6   8.927   7.005  -0.445
   38    HB3  GLN   6           1HB      GLN   6   9.981   5.946  -1.390
   39    HG2  GLN   6           2HG      GLN   6   8.458   7.605  -3.181
   40    HG3  GLN   6           1HG      GLN   6   9.246   8.625  -1.977
   41   HE21  GLN   6          1HE2      GLN   6  11.627   8.502  -1.821
   42   HE22  GLN   6          2HE2      GLN   6  12.546   7.884  -3.118
   43    H    THR   7           H        THR   7   6.286   4.264  -0.381
   44    HA   THR   7           HA       THR   7   8.050   1.846  -0.506
   45    HB   THR   7           HB       THR   7   7.732   1.553   1.884
   46    HG1  THR   7           1HG      THR   7   6.048   2.392   2.774
   47   HG21  THR   7          3HG2      THR   7   8.253   4.495   1.712
   48   HG22  THR   7          1HG2      THR   7   9.341   3.395   0.867
   49   HG23  THR   7          2HG2      THR   7   9.126   3.255   2.611
   50    H    GLY   8           H        GLY   8   6.840  -0.174  -0.161
   51    HA2  GLY   8           2HA      GLY   8   4.099   0.002  -1.224
   52    HA3  GLY   8           1HA      GLY   8   5.016  -1.484  -0.960
   53    H    ALA   9           H        ALA   9   5.629  -0.280   1.843
   54    HA   ALA   9           HA       ALA   9   3.445  -1.663   3.203
   55    HB1  ALA   9           1HB      ALA   9   5.758   0.003   4.245
   56    HB2  ALA   9           2HB      ALA   9   5.845  -1.718   3.869
   57    HB3  ALA   9           3HB      ALA   9   4.809  -1.153   5.179
   58    H    GLU  10           H        GLU  10   4.077   1.615   2.261
   59    HA   GLU  10           HA       GLU  10   2.375   2.814   4.340
   60    HB2  GLU  10           2HB      GLU  10   3.131   4.848   3.407
   61    HB3  GLU  10           1HB      GLU  10   4.482   3.751   3.130
   62    HG2  GLU  10           2HG      GLU  10   3.803   3.387   0.839
   63    HG3  GLU  10           1HG      GLU  10   2.310   4.299   1.086
   64    H    CYS  11           H        CYS  11   2.065   1.856   0.938
   65    HA   CYS  11           HA       CYS  11  -0.587   3.135   0.700
   66    HB2  CYS  11           2HB      CYS  11   1.502   2.450  -1.006
   67    HB3  CYS  11           1HB      CYS  11   0.251   1.269  -1.393
   68    H    TYR  12           H        TYR  12   0.767  -0.137   1.054
   69    HA   TYR  12           HA       TYR  12  -1.362  -1.790   0.441
   70    HB2  TYR  12           2HB      TYR  12   0.792  -2.557   1.313
   71    HB3  TYR  12           1HB      TYR  12   0.440  -1.833   2.887
   72    HD1  TYR  12           1HD      TYR  12  -0.705  -4.422   0.458
   73    HD2  TYR  12           2HD      TYR  12  -0.871  -2.988   4.506
   74    HE1  TYR  12           1HE      TYR  12  -1.892  -6.487   1.142
   75    HE2  TYR  12           2HE      TYR  12  -2.061  -5.053   5.187
   76    HH   TYR  12           HH       TYR  12  -2.964  -7.530   2.793
   77    H    SER  13           H        SER  13  -1.009   0.180   3.394
   78    HA   SER  13           HA       SER  13  -3.196  -0.705   4.898
   79    HB2  SER  13           2HB      SER  13  -3.231   1.825   5.553
   80    HB3  SER  13           1HB      SER  13  -1.760   0.901   5.842
   81    HG   SER  13           HG       SER  13  -1.914   3.077   4.498
   82    H    TRP  14           H        TRP  14  -3.222   1.736   2.275
   83    HA   TRP  14           HA       TRP  14  -6.013   2.350   2.431
   84    HB2  TRP  14           2HB      TRP  14  -4.556   3.822   1.266
   85    HB3  TRP  14           1HB      TRP  14  -3.876   2.510   0.299
   86    HD1  TRP  14           HD       TRP  14  -7.386   4.063   0.862
   87    HE1  TRP  14           1HE      TRP  14  -8.601   4.130  -1.411
   88    HE3  TRP  14           3HE      TRP  14  -3.830   1.908  -2.103
   89    HZ2  TRP  14           2HZ      TRP  14  -8.125   3.374  -4.128
   90    HZ3  TRP  14           3HZ      TRP  14  -4.237   1.594  -4.528
   91    HH2  TRP  14           HH       TRP  14  -6.378   2.323  -5.542
   92    H    CYS  15           H        CYS  15  -4.321   0.274   0.035
   93    HA   CYS  15           HA       CYS  15  -6.453  -0.765  -1.377
   94    HB2  CYS  15           2HB      CYS  15  -3.930  -1.228  -1.495
   95    HB3  CYS  15           1HB      CYS  15  -4.217  -2.481  -0.286
   96    H    ILE  16           H        ILE  16  -5.521  -1.610   1.927
   97    HA   ILE  16           HA       ILE  16  -7.274  -3.898   2.170
   98    HB   ILE  16           HB       ILE  16  -6.078  -2.046   4.256
   99   HG12  ILE  16          2HG1      ILE  16  -4.482  -3.124   2.592
  100   HG13  ILE  16          1HG1      ILE  16  -4.196  -3.552   4.279
  101   HG21  ILE  16          1HG2      ILE  16  -6.327  -3.974   5.756
  102   HG22  ILE  16          2HG2      ILE  16  -7.031  -4.922   4.446
  103   HG23  ILE  16          3HG2      ILE  16  -7.897  -3.526   5.089
  104   HD11  ILE  16          3HD1      ILE  16  -5.100  -5.701   4.016
  105   HD12  ILE  16          1HD1      ILE  16  -4.250  -5.454   2.490
  106   HD13  ILE  16          2HD1      ILE  16  -6.000  -5.248   2.568
  107    H    LYS  17           H        LYS  17  -7.872  -0.509   2.127
  108    HA   LYS  17           HA       LYS  17  -9.934  -0.023   3.913
  109    HB2  LYS  17           2HB      LYS  17  -9.285   1.729   2.504
  110    HB3  LYS  17           1HB      LYS  17  -9.352   0.722   1.060
  111    HG2  LYS  17           2HG      LYS  17 -11.220   2.163   0.890
  112    HG3  LYS  17           1HG      LYS  17 -11.898   0.637   1.437
  113    HD2  LYS  17           2HD      LYS  17 -11.397   1.700   3.835
  114    HD3  LYS  17           1HD      LYS  17 -11.558   3.203   2.927
  115    HE2  LYS  17           2HE      LYS  17 -13.661   1.286   2.241
  116    HE3  LYS  17           1HE      LYS  17 -13.675   1.723   3.961
  117    HZ1  LYS  17           3HZ      LYS  17 -13.834   3.970   3.480
  118    HZ2  LYS  17           1HZ      LYS  17 -14.843   3.285   2.302
  119    HZ3  LYS  17           2HZ      LYS  17 -13.272   3.784   1.888
  120    H    GLN  18           H        GLN  18 -10.464  -1.330   0.601
  121    HA   GLN  18           HA       GLN  18 -13.209  -2.022   0.985
  122    HB2  GLN  18           2HB      GLN  18 -12.673  -3.542  -1.000
  123    HB3  GLN  18           1HB      GLN  18 -12.225  -1.851  -1.211
  124    HG2  GLN  18           2HG      GLN  18  -9.998  -3.028   0.025
  125    HG3  GLN  18           1HG      GLN  18 -10.522  -4.203  -1.182
  126   HE21  GLN  18          1HE2      GLN  18 -10.463  -0.581  -1.151
  127   HE22  GLN  18          2HE2      GLN  18  -9.631  -0.446  -2.625
  128    H    ASP  19           H        ASP  19 -10.311  -3.386   2.150
  129    HA   ASP  19           HA       ASP  19  -9.765  -5.414   3.218
  130    HB2  ASP  19           2HB      ASP  19 -11.345  -5.770   5.100
  131    HB3  ASP  19           1HB      ASP  19 -10.951  -4.064   4.871
  132    H    LEU  20           H        LEU  20 -10.472  -6.313   0.766
  133    HA   LEU  20           HA       LEU  20 -12.758  -8.151   0.860
  134    HB2  LEU  20           2HB      LEU  20 -10.382  -8.367  -0.991
  135    HB3  LEU  20           1HB      LEU  20 -12.074  -8.716  -1.336
  136    HG   LEU  20           HG       LEU  20 -10.749  -6.022  -1.047
  137   HD11  LEU  20          1HD1      LEU  20 -10.962  -7.409  -3.255
  138   HD12  LEU  20          2HD1      LEU  20 -11.387  -5.698  -3.278
  139   HD13  LEU  20          3HD1      LEU  20 -12.655  -6.922  -3.192
  140   HD21  LEU  20          3HD2      LEU  20 -13.411  -6.787  -0.236
  141   HD22  LEU  20          1HD2      LEU  20 -13.502  -5.708  -1.628
  142   HD23  LEU  20          2HD2      LEU  20 -12.652  -5.199  -0.172
  143    H    SER  21           H        SER  21  -9.350  -8.199   1.592
  144    HA   SER  21           HA       SER  21  -9.364 -10.438   3.306
  145    HB2  SER  21           2HB      SER  21  -9.364 -12.235   1.919
  146    HB3  SER  21           1HB      SER  21  -9.757 -11.136   0.603
  147    HG   SER  21           HG       SER  21  -7.621 -12.556   0.801
  148    H    LYS  22           H        LYS  22  -7.446 -10.147   4.429
  149    HA   LYS  22           HA       LYS  22  -5.481  -8.257   3.843
  150    HB2  LYS  22           2HB      LYS  22  -4.052  -9.715   5.359
  151    HB3  LYS  22           1HB      LYS  22  -5.656  -9.343   5.994
  152    HG2  LYS  22           2HG      LYS  22  -5.875 -11.688   4.378
  153    HG3  LYS  22           1HG      LYS  22  -4.521 -11.914   5.486
  154    HD2  LYS  22           2HD      LYS  22  -7.323 -11.062   6.275
  155    HD3  LYS  22           1HD      LYS  22  -6.626 -12.663   6.525
  156    HE2  LYS  22           2HE      LYS  22  -4.818 -11.600   7.917
  157    HE3  LYS  22           1HE      LYS  22  -5.688 -10.060   7.776
  158    HZ1  LYS  22           3HZ      LYS  22  -6.204 -11.910   9.656
  159    HZ2  LYS  22           1HZ      LYS  22  -7.338 -12.333   8.468
  160    HZ3  LYS  22           2HZ      LYS  22  -7.331 -10.761   9.112
  161    H    ASP  23           H        ASP  23  -5.874 -11.441   2.454
  162    HA   ASP  23           HA       ASP  23  -3.167 -11.423   1.250
  163    HB2  ASP  23           2HB      ASP  23  -3.941 -13.536   2.031
  164    HB3  ASP  23           1HB      ASP  23  -5.536 -13.304   1.313
  165    H    TRP  24           H        TRP  24  -6.213 -10.149   0.558
  166    HA   TRP  24           HA       TRP  24  -6.296 -10.537  -2.319
  167    HB2  TRP  24           2HB      TRP  24  -8.104  -9.933  -0.490
  168    HB3  TRP  24           1HB      TRP  24  -7.603  -8.275  -0.832
  169    HD1  TRP  24           HD       TRP  24  -9.977 -10.781  -1.952
  170    HE1  TRP  24           1HE      TRP  24 -10.901 -10.229  -4.294
  171    HE3  TRP  24           3HE      TRP  24  -6.629  -7.208  -3.401
  172    HZ2  TRP  24           2HZ      TRP  24 -10.303  -8.496  -6.489
  173    HZ3  TRP  24           3HZ      TRP  24  -6.831  -6.122  -5.619
  174    HH2  TRP  24           HH       TRP  24  -8.662  -6.761  -7.165
  175    H    CYS  25           H        CYS  25  -5.352  -7.802  -0.193
  176    HA   CYS  25           HA       CYS  25  -4.358  -6.304  -2.552
  177    HB2  CYS  25           2HB      CYS  25  -4.906  -5.792   0.352
  178    HB3  CYS  25           1HB      CYS  25  -3.812  -4.703  -0.508
  179    H    CYS  26           H        CYS  26  -3.137  -8.465  -0.174
  180    HA   CYS  26           HA       CYS  26  -0.529  -7.574   0.345
  181    HB2  CYS  26           2HB      CYS  26  -1.553  -9.574   1.309
  182    HB3  CYS  26           1HB      CYS  26  -1.592 -10.349  -0.276
  183    H    ASP  27           H        ASP  27  -1.788  -9.165  -2.581
  184    HA   ASP  27           HA       ASP  27   0.868  -9.244  -3.852
  185    HB2  ASP  27           2HB      ASP  27  -1.757 -10.407  -4.150
  186    HB3  ASP  27           1HB      ASP  27  -1.240  -9.721  -5.691
  187    H    PHE  28           H        PHE  28  -1.904  -7.117  -3.755
  188    HA   PHE  28           HA       PHE  28  -1.659  -5.742  -6.215
  189    HB2  PHE  28           2HB      PHE  28  -3.549  -5.220  -4.977
  190    HB3  PHE  28           1HB      PHE  28  -2.665  -5.190  -3.450
  191    HD1  PHE  28           2HD      PHE  28  -2.937  -3.330  -6.697
  192    HD2  PHE  28           1HD      PHE  28  -2.096  -3.138  -2.491
  193    HE1  PHE  28           2HE      PHE  28  -2.750  -0.860  -6.847
  194    HE2  PHE  28           1HE      PHE  28  -1.907  -0.671  -2.639
  195    HZ   PHE  28           HZ       PHE  28  -2.235   0.470  -4.818
  196    H    VAL  29           H        VAL  29  -0.386  -4.548  -3.074
  197    HA   VAL  29           HA       VAL  29   1.267  -2.519  -4.191
  198    HB   VAL  29           HB       VAL  29   0.551  -2.621  -1.855
  199   HG11  VAL  29          1HG1      VAL  29   2.506  -4.808  -1.270
  200   HG12  VAL  29          2HG1      VAL  29   0.938  -5.253  -1.945
  201   HG13  VAL  29          3HG1      VAL  29   1.023  -4.373  -0.419
  202   HG21  VAL  29          3HG2      VAL  29   3.122  -1.992  -2.745
  203   HG22  VAL  29          1HG2      VAL  29   3.396  -2.981  -1.311
  204   HG23  VAL  29          2HG2      VAL  29   2.414  -1.520  -1.200
  205    H    LYS  30           H        LYS  30   1.862  -5.959  -3.682
  206    HA   LYS  30           HA       LYS  30   4.737  -5.849  -3.998
  207    HB2  LYS  30           2HB      LYS  30   3.921  -7.757  -2.928
  208    HB3  LYS  30           1HB      LYS  30   2.548  -7.904  -4.023
  209    HG2  LYS  30           2HG      LYS  30   5.255  -8.202  -5.230
  210    HG3  LYS  30           1HG      LYS  30   4.700  -9.514  -4.190
  211    HD2  LYS  30           2HD      LYS  30   2.569  -9.584  -5.516
  212    HD3  LYS  30           1HD      LYS  30   3.268  -8.397  -6.617
  213    HE2  LYS  30           2HE      LYS  30   5.275 -10.265  -6.521
  214    HE3  LYS  30           1HE      LYS  30   3.829 -11.287  -6.386
  215    HZ1  LYS  30           3HZ      LYS  30   2.869  -9.936  -8.236
  216    HZ2  LYS  30           1HZ      LYS  30   4.187 -10.901  -8.690
  217    HZ3  LYS  30           2HZ      LYS  30   4.400  -9.232  -8.453
  218    H    ASP  31           H        ASP  31   2.035  -5.949  -6.239
  219    HA   ASP  31           HA       ASP  31   3.652  -6.772  -8.540
  220    HB2  ASP  31           2HB      ASP  31   0.845  -6.052  -7.884
  221    HB3  ASP  31           1HB      ASP  31   1.341  -5.787  -9.557
  222    H    ILE  32           H        ILE  32   2.910  -3.763  -6.960
  223    HA   ILE  32           HA       ILE  32   3.481  -2.142  -9.366
  224    HB   ILE  32           HB       ILE  32   3.050  -0.276  -7.731
  225   HG12  ILE  32          2HG1      ILE  32   2.309  -2.462  -5.780
  226   HG13  ILE  32          1HG1      ILE  32   3.910  -1.721  -5.769
  227   HG21  ILE  32          1HG2      ILE  32   0.913  -0.563  -8.352
  228   HG22  ILE  32          2HG2      ILE  32   0.710  -1.811  -7.123
  229   HG23  ILE  32          3HG2      ILE  32   1.261  -2.248  -8.740
  230   HD11  ILE  32          3HD1      ILE  32   2.468   0.524  -5.809
  231   HD12  ILE  32          1HD1      ILE  32   2.829  -0.306  -4.295
  232   HD13  ILE  32          2HD1      ILE  32   1.261  -0.527  -5.070
  233    H    ARG  33           H        ARG  33   5.642  -3.866  -8.328
  234    HA   ARG  33           HA       ARG  33   7.905  -3.719  -7.594
  235    HB2  ARG  33           2HB      ARG  33   7.180  -1.871  -9.718
  236    HB3  ARG  33           1HB      ARG  33   8.565  -1.274  -8.808
  237    HG2  ARG  33           2HG      ARG  33   9.477  -2.652 -10.528
  238    HG3  ARG  33           1HG      ARG  33   9.564  -3.610  -9.051
  239    HD2  ARG  33           2HD      ARG  33   8.411  -5.230 -10.135
  240    HD3  ARG  33           1HD      ARG  33   7.012  -4.145 -10.151
  241    HE   ARG  33           HE       ARG  33   8.961  -4.495 -12.359
  242   HH11  ARG  33          1HH2      ARG  33   6.256  -2.790 -11.003
  243   HH12  ARG  33          2HH2      ARG  33   5.776  -2.116 -12.518
  244   HH21  ARG  33          1HH1      ARG  33   8.324  -3.606 -14.320
  245   HH22  ARG  33          2HH1      ARG  33   6.935  -2.573 -14.385
  246    H    MET  34           H        MET  34   6.958  -3.168  -5.305
  247    HA   MET  34           HA       MET  34   8.068  -0.506  -4.493
  248    HB2  MET  34           2HB      MET  34   5.386  -1.774  -3.977
  249    HB3  MET  34           1HB      MET  34   6.049  -0.622  -2.818
  250    HG2  MET  34           2HG      MET  34   5.872  -0.004  -5.772
  251    HG3  MET  34           1HG      MET  34   4.551   0.355  -4.655
  252    HE1  MET  34           3HE      MET  34   6.472   2.222  -6.579
  253    HE2  MET  34           1HE      MET  34   6.514   3.698  -5.604
  254    HE3  MET  34           2HE      MET  34   5.005   2.809  -5.797
  255    H    ASN  35           H        ASN  35   7.974  -0.594  -1.853
  256    HA   ASN  35           HA       ASN  35   9.416  -3.114  -1.122
  257    HB2  ASN  35           2HB      ASN  35   9.459  -0.259  -0.105
  258    HB3  ASN  35           1HB      ASN  35  10.287  -1.577   0.726
  259   HD21  ASN  35          1HD2      ASN  35  11.292  -3.057  -1.457
  260   HD22  ASN  35          2HD2      ASN  35  12.408  -2.096  -2.319
  261    HA   PRO  36           HA       PRO  36   5.419  -3.266   1.185
  262    HB2  PRO  36           2HB      PRO  36   5.055  -5.958   0.856
  263    HB3  PRO  36           1HB      PRO  36   4.516  -4.757  -0.334
  264    HG2  PRO  36           2HG      PRO  36   6.936  -6.490  -0.361
  265    HG3  PRO  36           1HG      PRO  36   5.873  -6.015  -1.695
  266    HD2  PRO  36           2HD      PRO  36   8.307  -4.876  -1.230
  267    HD3  PRO  36           1HD      PRO  36   6.961  -4.030  -2.027
  268    HA   PRO  37           HA       PRO  37   7.246  -4.833   4.859
  269    HB2  PRO  37           2HB      PRO  37   5.069  -5.772   6.218
  270    HB3  PRO  37           1HB      PRO  37   5.384  -4.041   5.980
  271    HG2  PRO  37           2HG      PRO  37   3.479  -5.829   4.574
  272    HG3  PRO  37           1HG      PRO  37   3.319  -4.121   5.006
  273    HD2  PRO  37           2HD      PRO  37   3.934  -5.054   2.484
  274    HD3  PRO  37           1HD      PRO  37   4.303  -3.419   3.080
  275    H    ALA  38           H        ALA  38   7.995  -6.799   5.811
  276    HA   ALA  38           HA       ALA  38   7.201  -9.285   4.338
  277    HB1  ALA  38           1HB      ALA  38   9.618  -8.149   4.516
  278    HB2  ALA  38           2HB      ALA  38   9.431  -9.902   4.494
  279    HB3  ALA  38           3HB      ALA  38   9.662  -9.060   6.026
  280    H    ASP  39           H        ASP  39   6.765  -7.713   7.278
  281    HA   ASP  39           HA       ASP  39   6.611 -10.267   8.827
  282    HB2  ASP  39           2HB      ASP  39   6.946  -7.344   9.459
  283    HB3  ASP  39           1HB      ASP  39   6.338  -8.438  10.702
  284    H    LYS  40           H        LYS  40   4.600  -9.019   6.809
  285    HA   LYS  40           HA       LYS  40   2.234  -9.091   8.657
  286    HB2  LYS  40           2HB      LYS  40   3.070  -6.872   7.477
  287    HB3  LYS  40           1HB      LYS  40   2.252  -7.560   6.073
  288    HG2  LYS  40           2HG      LYS  40   0.721  -6.111   7.359
  289    HG3  LYS  40           1HG      LYS  40   0.178  -7.790   7.392
  290    HD2  LYS  40           2HD      LYS  40   0.814  -8.096   9.616
  291    HD3  LYS  40           1HD      LYS  40   1.996  -6.788   9.562
  292    HE2  LYS  40           2HE      LYS  40  -0.195  -5.319   9.104
  293    HE3  LYS  40           1HE      LYS  40  -0.957  -6.647  10.001
  294    HZ1  LYS  40           3HZ      LYS  40   1.521  -5.278  10.892
  295    HZ2  LYS  40           1HZ      LYS  40   0.589  -6.389  11.769
  296    HZ3  LYS  40           2HZ      LYS  40  -0.029  -4.843  11.434
  297    H    CYS  41           H        CYS  41   3.224  -9.470   5.227
  298    HA   CYS  41           HA       CYS  41   1.418 -11.849   5.068
  299    HB2  CYS  41           2HB      CYS  41   0.207  -9.942   4.166
  300    HB3  CYS  41           1HB      CYS  41   1.600  -9.477   3.182
  301    HA   PRO  42           HA       PRO  42   5.518 -12.922   3.389
  302    HB2  PRO  42           2HB      PRO  42   5.369 -15.554   4.116
  303    HB3  PRO  42           1HB      PRO  42   5.892 -14.274   5.227
  304    HG2  PRO  42           2HG      PRO  42   3.257 -15.635   5.017
  305    HG3  PRO  42           1HG      PRO  42   4.140 -15.098   6.453
  306    HD2  PRO  42           2HD      PRO  42   2.029 -13.739   5.366
  307    HD3  PRO  42           1HD      PRO  42   3.320 -12.970   6.320
  Start of MODEL    9
    1    H1   ILE   1           H        ILE   1   3.347  15.457  -1.008
    2    HA   ILE   1           HA       ILE   1   0.678  15.746  -1.933
    3    HB   ILE   1           HB       ILE   1   1.715  14.716  -4.031
    4   HG12  ILE   1          2HG1      ILE   1   4.296  14.801  -2.479
    5   HG13  ILE   1          1HG1      ILE   1   3.317  13.334  -2.489
    6   HG21  ILE   1          1HG2      ILE   1   3.663  16.577  -3.899
    7   HG22  ILE   1          2HG2      ILE   1   2.700  17.076  -2.507
    8   HG23  ILE   1          3HG2      ILE   1   1.962  16.998  -4.106
    9   HD11  ILE   1          3HD1      ILE   1   3.561  13.034  -4.807
   10   HD12  ILE   1          1HD1      ILE   1   5.154  13.615  -4.318
   11   HD13  ILE   1          2HD1      ILE   1   4.006  14.721  -5.070
   12    HA   PRO   2           HA       PRO   2  -1.107  11.770  -1.387
   13    HB2  PRO   2           2HB      PRO   2  -2.649  11.543  -3.635
   14    HB3  PRO   2           1HB      PRO   2  -3.050  12.638  -2.295
   15    HG2  PRO   2           2HG      PRO   2  -1.793  13.244  -4.922
   16    HG3  PRO   2           1HG      PRO   2  -2.965  14.185  -3.986
   17    HD2  PRO   2           2HD      PRO   2  -0.288  14.741  -4.079
   18    HD3  PRO   2           1HD      PRO   2  -1.346  15.181  -2.718
   19    H    TYR   3           H        TYR   3   1.210  10.894  -1.821
   20    HA   TYR   3           HA       TYR   3   1.297   9.402  -4.423
   21    HB2  TYR   3           2HB      TYR   3   3.084  11.172  -3.288
   22    HB3  TYR   3           1HB      TYR   3   3.742   9.610  -2.791
   23    HD1  TYR   3           1HD      TYR   3   1.857  10.538  -5.885
   24    HD2  TYR   3           2HD      TYR   3   5.584   9.221  -4.205
   25    HE1  TYR   3           1HE      TYR   3   2.761  10.186  -8.168
   26    HE2  TYR   3           2HE      TYR   3   6.489   8.871  -6.488
   27    HH   TYR   3           HH       TYR   3   5.373  10.172  -9.125
   28    H    CYS   4           H        CYS   4   2.398   7.214  -4.215
   29    HA   CYS   4           HA       CYS   4   1.266   5.751  -1.918
   30    HB2  CYS   4           2HB      CYS   4   1.149   5.041  -4.337
   31    HB3  CYS   4           1HB      CYS   4   2.894   4.791  -4.289
   32    H    GLY   5           H        GLY   5   3.792   7.590  -1.805
   33    HA2  GLY   5           2HA      GLY   5   5.903   7.534  -0.771
   34    HA3  GLY   5           1HA      GLY   5   5.200   6.250   0.219
   35    H    GLN   6           H        GLN   6   7.702   5.713  -0.109
   36    HA   GLN   6           HA       GLN   6   8.081   4.127  -2.612
   37    HB2  GLN   6           2HB      GLN   6   9.934   5.166  -0.446
   38    HB3  GLN   6           1HB      GLN   6  10.476   4.171  -1.801
   39    HG2  GLN   6           2HG      GLN   6   9.694   5.839  -3.396
   40    HG3  GLN   6           1HG      GLN   6   9.012   6.811  -2.093
   41   HE21  GLN   6          1HE2      GLN   6  10.361   8.645  -2.063
   42   HE22  GLN   6          2HE2      GLN   6  12.060   8.578  -1.917
   43    H    THR   7           H        THR   7   6.344   3.171  -0.441
   44    HA   THR   7           HA       THR   7   7.707   0.584   0.073
   45    HB   THR   7           HB       THR   7   6.534   1.183   2.521
   46    HG1  THR   7           1HG      THR   7   7.725   3.294   2.831
   47   HG21  THR   7          3HG2      THR   7   8.741   0.102   2.059
   48   HG22  THR   7          1HG2      THR   7   8.822   1.320   3.332
   49   HG23  THR   7          2HG2      THR   7   9.408   1.698   1.713
   50    H    GLY   8           H        GLY   8   6.226  -1.086  -0.061
   51    HA2  GLY   8           2HA      GLY   8   3.564  -0.622  -0.964
   52    HA3  GLY   8           1HA      GLY   8   4.162  -2.167  -0.346
   53    H    ALA   9           H        ALA   9   4.812  -1.443   2.277
   54    HA   ALA   9           HA       ALA   9   2.469  -1.796   3.729
   55    HB1  ALA   9           1HB      ALA   9   4.091  -1.818   5.298
   56    HB2  ALA   9           2HB      ALA   9   4.192  -0.060   5.202
   57    HB3  ALA   9           3HB      ALA   9   5.207  -1.060   4.163
   58    H    GLU  10           H        GLU  10   4.008   1.362   3.008
   59    HA   GLU  10           HA       GLU  10   2.272   3.129   4.249
   60    HB2  GLU  10           2HB      GLU  10   3.621   3.184   1.539
   61    HB3  GLU  10           1HB      GLU  10   2.820   4.599   2.222
   62    HG2  GLU  10           2HG      GLU  10   5.145   3.067   3.423
   63    HG3  GLU  10           1HG      GLU  10   5.171   4.719   2.795
   64    H    CYS  11           H        CYS  11   1.807   1.774   0.959
   65    HA   CYS  11           HA       CYS  11  -0.882   2.916   0.745
   66    HB2  CYS  11           2HB      CYS  11   1.015   1.278  -0.886
   67    HB3  CYS  11           1HB      CYS  11  -0.691   1.248  -1.336
   68    H    TYR  12           H        TYR  12   0.517  -0.143   1.753
   69    HA   TYR  12           HA       TYR  12  -1.540  -1.969   1.335
   70    HB2  TYR  12           2HB      TYR  12   0.714  -2.313   2.406
   71    HB3  TYR  12           1HB      TYR  12   0.038  -1.644   3.896
   72    HD1  TYR  12           1HD      TYR  12  -2.091  -2.734   4.842
   73    HD2  TYR  12           2HD      TYR  12   0.388  -4.597   1.873
   74    HE1  TYR  12           1HE      TYR  12  -3.074  -4.939   5.406
   75    HE2  TYR  12           2HE      TYR  12  -0.590  -6.803   2.438
   76    HH   TYR  12           HH       TYR  12  -2.473  -7.767   3.468
   77    H    SER  13           H        SER  13  -1.572   0.796   3.441
   78    HA   SER  13           HA       SER  13  -3.761  -0.140   5.135
   79    HB2  SER  13           2HB      SER  13  -3.469   1.955   6.182
   80    HB3  SER  13           1HB      SER  13  -1.865   1.600   5.550
   81    HG   SER  13           HG       SER  13  -3.351   3.695   5.046
   82    H    TRP  14           H        TRP  14  -3.501   1.665   2.115
   83    HA   TRP  14           HA       TRP  14  -6.307   2.557   2.203
   84    HB2  TRP  14           2HB      TRP  14  -4.669   3.995   1.194
   85    HB3  TRP  14           1HB      TRP  14  -4.046   2.680   0.193
   86    HD1  TRP  14           HD       TRP  14  -7.475   4.411   0.734
   87    HE1  TRP  14           1HE      TRP  14  -8.612   4.659  -1.566
   88    HE3  TRP  14           3HE      TRP  14  -3.962   2.188  -2.230
   89    HZ2  TRP  14           2HZ      TRP  14  -8.099   4.002  -4.301
   90    HZ3  TRP  14           3HZ      TRP  14  -4.311   2.013  -4.677
   91    HH2  TRP  14           HH       TRP  14  -6.372   2.916  -5.716
   92    H    CYS  15           H        CYS  15  -4.368   0.218   0.327
   93    HA   CYS  15           HA       CYS  15  -6.318  -0.722  -1.461
   94    HB2  CYS  15           2HB      CYS  15  -4.904  -2.734  -1.513
   95    HB3  CYS  15           1HB      CYS  15  -3.903  -1.284  -1.414
   96    H    ILE  16           H        ILE  16  -5.993  -1.408   1.993
   97    HA   ILE  16           HA       ILE  16  -7.706  -3.739   1.999
   98    HB   ILE  16           HB       ILE  16  -7.038  -1.767   4.205
   99   HG12  ILE  16          2HG1      ILE  16  -5.078  -2.739   2.924
  100   HG13  ILE  16          1HG1      ILE  16  -5.106  -3.149   4.639
  101   HG21  ILE  16          1HG2      ILE  16  -8.147  -4.570   4.119
  102   HG22  ILE  16          2HG2      ILE  16  -8.738  -3.181   5.032
  103   HG23  ILE  16          3HG2      ILE  16  -7.256  -3.998   5.528
  104   HD11  ILE  16          3HD1      ILE  16  -4.612  -5.117   3.180
  105   HD12  ILE  16          1HD1      ILE  16  -6.193  -4.917   2.427
  106   HD13  ILE  16          2HD1      ILE  16  -6.077  -5.331   4.137
  107    H    LYS  17           H        LYS  17  -8.325  -0.258   2.197
  108    HA   LYS  17           HA       LYS  17 -10.890  -0.150   3.291
  109    HB2  LYS  17           2HB      LYS  17  -9.200   1.444   1.684
  110    HB3  LYS  17           1HB      LYS  17 -10.736   1.372   0.819
  111    HG2  LYS  17           2HG      LYS  17 -11.532   1.741   3.443
  112    HG3  LYS  17           1HG      LYS  17 -10.074   2.729   3.334
  113    HD2  LYS  17           2HD      LYS  17 -11.002   4.179   1.814
  114    HD3  LYS  17           1HD      LYS  17 -11.984   2.923   1.060
  115    HE2  LYS  17           2HE      LYS  17 -13.631   4.158   2.175
  116    HE3  LYS  17           1HE      LYS  17 -13.229   2.959   3.420
  117    HZ1  LYS  17           3HZ      LYS  17 -12.962   4.957   4.538
  118    HZ2  LYS  17           1HZ      LYS  17 -12.317   5.756   3.189
  119    HZ3  LYS  17           2HZ      LYS  17 -11.377   4.617   4.029
  120    H    GLN  18           H        GLN  18  -9.905  -1.250   0.083
  121    HA   GLN  18           HA       GLN  18 -12.288  -1.577  -1.303
  122    HB2  GLN  18           2HB      GLN  18  -9.639  -2.713  -1.166
  123    HB3  GLN  18           1HB      GLN  18 -10.806  -3.989  -1.517
  124    HG2  GLN  18           2HG      GLN  18 -10.660  -3.287  -3.641
  125    HG3  GLN  18           1HG      GLN  18 -11.680  -1.942  -3.131
  126   HE21  GLN  18          1HE2      GLN  18 -10.572   0.116  -2.566
  127   HE22  GLN  18          2HE2      GLN  18  -9.015   0.438  -3.161
  128    H    ASP  19           H        ASP  19 -10.989  -3.511   1.319
  129    HA   ASP  19           HA       ASP  19 -12.171  -4.776   2.963
  130    HB2  ASP  19           2HB      ASP  19 -14.163  -3.336   1.782
  131    HB3  ASP  19           1HB      ASP  19 -14.649  -4.982   1.359
  132    H    LEU  20           H        LEU  20 -10.499  -5.999   1.126
  133    HA   LEU  20           HA       LEU  20 -12.022  -8.389   0.160
  134    HB2  LEU  20           2HB      LEU  20  -9.128  -7.706  -0.395
  135    HB3  LEU  20           1HB      LEU  20 -10.213  -8.706  -1.356
  136    HG   LEU  20           HG       LEU  20 -10.001  -5.725  -1.215
  137   HD11  LEU  20          1HD1      LEU  20 -10.789  -6.318  -3.700
  138   HD12  LEU  20          2HD1      LEU  20 -10.155  -7.901  -3.249
  139   HD13  LEU  20          3HD1      LEU  20  -9.108  -6.483  -3.195
  140   HD21  LEU  20          3HD2      LEU  20 -12.394  -6.076  -2.519
  141   HD22  LEU  20          1HD2      LEU  20 -12.249  -5.541  -0.845
  142   HD23  LEU  20          2HD2      LEU  20 -12.542  -7.243  -1.206
  143    H    SER  21           H        SER  21  -8.827  -7.681   1.624
  144    HA   SER  21           HA       SER  21  -9.017  -9.164   3.985
  145    HB2  SER  21           2HB      SER  21  -7.856 -11.329   3.009
  146    HB3  SER  21           1HB      SER  21  -9.606 -11.156   2.909
  147    HG   SER  21           HG       SER  21  -7.742 -11.248   0.934
  148    H    LYS  22           H        LYS  22  -6.835  -9.692   4.895
  149    HA   LYS  22           HA       LYS  22  -4.833  -7.755   4.140
  150    HB2  LYS  22           2HB      LYS  22  -4.475 -10.271   5.794
  151    HB3  LYS  22           1HB      LYS  22  -3.587  -8.757   5.943
  152    HG2  LYS  22           2HG      LYS  22  -6.487  -9.275   6.650
  153    HG3  LYS  22           1HG      LYS  22  -5.186  -8.768   7.724
  154    HD2  LYS  22           2HD      LYS  22  -5.122  -6.586   6.815
  155    HD3  LYS  22           1HD      LYS  22  -6.020  -7.065   5.375
  156    HE2  LYS  22           2HE      LYS  22  -7.547  -5.854   6.826
  157    HE3  LYS  22           1HE      LYS  22  -7.997  -7.569   6.896
  158    HZ1  LYS  22           3HZ      LYS  22  -7.812  -6.967   9.123
  159    HZ2  LYS  22           1HZ      LYS  22  -6.455  -5.986   8.858
  160    HZ3  LYS  22           2HZ      LYS  22  -6.305  -7.676   8.794
  161    H    ASP  23           H        ASP  23  -5.544 -10.970   3.065
  162    HA   ASP  23           HA       ASP  23  -2.861 -11.489   1.969
  163    HB2  ASP  23           2HB      ASP  23  -4.143 -13.373   2.704
  164    HB3  ASP  23           1HB      ASP  23  -5.583 -12.814   1.851
  165    H    TRP  24           H        TRP  24  -5.745  -9.854   1.067
  166    HA   TRP  24           HA       TRP  24  -5.576 -10.087  -1.803
  167    HB2  TRP  24           2HB      TRP  24  -7.613  -9.168  -1.400
  168    HB3  TRP  24           1HB      TRP  24  -7.157  -8.836   0.269
  169    HD1  TRP  24           HD       TRP  24  -7.018  -6.375   0.913
  170    HE1  TRP  24           1HE      TRP  24  -6.882  -4.143  -0.370
  171    HE3  TRP  24           3HE      TRP  24  -6.589  -8.131  -3.846
  172    HZ2  TRP  24           2HZ      TRP  24  -6.625  -3.226  -3.074
  173    HZ3  TRP  24           3HZ      TRP  24  -6.400  -6.569  -5.763
  174    HH2  TRP  24           HH       TRP  24  -6.418  -4.117  -5.382
  175    H    CYS  25           H        CYS  25  -4.673  -7.403   0.405
  176    HA   CYS  25           HA       CYS  25  -3.314  -5.858  -1.596
  177    HB2  CYS  25           2HB      CYS  25  -4.201  -5.314   0.816
  178    HB3  CYS  25           1HB      CYS  25  -2.595  -5.846   1.327
  179    H    CYS  26           H        CYS  26  -2.341  -8.651   0.256
  180    HA   CYS  26           HA       CYS  26   0.407  -8.472   0.508
  181    HB2  CYS  26           2HB      CYS  26  -1.598 -10.498   0.259
  182    HB3  CYS  26           1HB      CYS  26  -0.210 -10.991  -0.709
  183    H    ASP  27           H        ASP  27  -1.277  -9.483  -2.499
  184    HA   ASP  27           HA       ASP  27   1.226  -9.266  -4.043
  185    HB2  ASP  27           2HB      ASP  27  -1.660  -9.867  -4.779
  186    HB3  ASP  27           1HB      ASP  27  -0.282 -10.042  -5.870
  187    H    PHE  28           H        PHE  28  -1.498  -7.264  -3.260
  188    HA   PHE  28           HA       PHE  28  -1.615  -5.573  -5.555
  189    HB2  PHE  28           2HB      PHE  28  -3.232  -5.744  -3.632
  190    HB3  PHE  28           1HB      PHE  28  -2.063  -4.868  -2.638
  191    HD1  PHE  28           2HD      PHE  28  -3.794  -4.598  -5.962
  192    HD2  PHE  28           1HD      PHE  28  -2.194  -2.543  -2.546
  193    HE1  PHE  28           2HE      PHE  28  -4.629  -2.445  -6.864
  194    HE2  PHE  28           1HE      PHE  28  -3.029  -0.390  -3.450
  195    HZ   PHE  28           HZ       PHE  28  -4.247  -0.341  -5.609
  196    H    VAL  29           H        VAL  29   0.076  -4.977  -2.440
  197    HA   VAL  29           HA       VAL  29   1.423  -2.613  -3.304
  198    HB   VAL  29           HB       VAL  29   2.630  -2.859  -1.265
  199   HG11  VAL  29          1HG1      VAL  29   0.771  -2.760  -0.002
  200   HG12  VAL  29          2HG1      VAL  29   0.515  -4.496  -0.177
  201   HG13  VAL  29          3HG1      VAL  29  -0.144  -3.382  -1.376
  202   HG21  VAL  29          3HG2      VAL  29   2.620  -5.180  -0.124
  203   HG22  VAL  29          1HG2      VAL  29   3.708  -4.952  -1.494
  204   HG23  VAL  29          2HG2      VAL  29   2.182  -5.810  -1.712
  205    H    LYS  30           H        LYS  30   2.233  -6.037  -3.650
  206    HA   LYS  30           HA       LYS  30   4.950  -5.491  -4.625
  207    HB2  LYS  30           2HB      LYS  30   4.267  -7.529  -3.349
  208    HB3  LYS  30           1HB      LYS  30   3.232  -7.994  -4.700
  209    HG2  LYS  30           2HG      LYS  30   6.081  -7.368  -5.323
  210    HG3  LYS  30           1HG      LYS  30   5.752  -8.884  -4.483
  211    HD2  LYS  30           2HD      LYS  30   4.989  -9.826  -6.377
  212    HD3  LYS  30           1HD      LYS  30   3.838  -8.510  -6.611
  213    HE2  LYS  30           2HE      LYS  30   6.291  -7.348  -7.264
  214    HE3  LYS  30           1HE      LYS  30   6.387  -8.976  -7.963
  215    HZ1  LYS  30           3HZ      LYS  30   5.144  -8.032  -9.581
  216    HZ2  LYS  30           1HZ      LYS  30   4.544  -6.806  -8.574
  217    HZ3  LYS  30           2HZ      LYS  30   3.865  -8.363  -8.514
  218    H    ASP  31           H        ASP  31   1.749  -5.816  -5.961
  219    HA   ASP  31           HA       ASP  31   2.445  -6.526  -8.661
  220    HB2  ASP  31           2HB      ASP  31   0.197  -6.653  -7.541
  221    HB3  ASP  31           1HB      ASP  31   0.115  -4.892  -7.606
  222    H    ILE  32           H        ILE  32   2.642  -3.553  -6.867
  223    HA   ILE  32           HA       ILE  32   2.991  -1.961  -9.368
  224    HB   ILE  32           HB       ILE  32   2.724  -0.046  -7.843
  225   HG12  ILE  32          2HG1      ILE  32   2.622  -2.167  -5.673
  226   HG13  ILE  32          1HG1      ILE  32   3.900  -0.975  -5.899
  227   HG21  ILE  32          1HG2      ILE  32   0.553  -1.622  -6.727
  228   HG22  ILE  32          2HG2      ILE  32   0.789  -1.980  -8.438
  229   HG23  ILE  32          3HG2      ILE  32   0.492  -0.321  -7.917
  230   HD11  ILE  32          3HD1      ILE  32   1.092  -0.580  -4.928
  231   HD12  ILE  32          1HD1      ILE  32   1.895   0.742  -5.776
  232   HD13  ILE  32          2HD1      ILE  32   2.597   0.089  -4.295
  233    H    ARG  33           H        ARG  33   5.038  -3.877  -8.422
  234    HA   ARG  33           HA       ARG  33   7.346  -3.943  -7.866
  235    HB2  ARG  33           2HB      ARG  33   6.826  -1.571  -9.646
  236    HB3  ARG  33           1HB      ARG  33   8.470  -1.928  -9.114
  237    HG2  ARG  33           2HG      ARG  33   8.560  -3.932 -10.279
  238    HG3  ARG  33           1HG      ARG  33   6.812  -4.157 -10.235
  239    HD2  ARG  33           2HD      ARG  33   6.457  -2.821 -12.090
  240    HD3  ARG  33           1HD      ARG  33   7.865  -1.795 -11.746
  241    HE   ARG  33           HE       ARG  33   8.967  -4.292 -12.243
  242   HH11  ARG  33          1HH2      ARG  33   6.832  -2.134 -13.888
  243   HH12  ARG  33          2HH2      ARG  33   7.317  -2.654 -15.468
  244   HH21  ARG  33          1HH1      ARG  33   9.606  -4.981 -14.295
  245   HH22  ARG  33          2HH1      ARG  33   8.885  -4.266 -15.699
  246    H    MET  34           H        MET  34   6.098  -3.121  -5.611
  247    HA   MET  34           HA       MET  34   7.529  -0.641  -4.727
  248    HB2  MET  34           2HB      MET  34   4.845  -1.689  -4.474
  249    HB3  MET  34           1HB      MET  34   5.542  -1.425  -2.876
  250    HG2  MET  34           2HG      MET  34   4.356   0.589  -3.849
  251    HG3  MET  34           1HG      MET  34   6.037   0.874  -3.391
  252    HE1  MET  34           3HE      MET  34   6.367   2.842  -4.584
  253    HE2  MET  34           1HE      MET  34   6.972   2.864  -6.245
  254    HE3  MET  34           2HE      MET  34   7.785   1.895  -5.020
  255    H    ASN  35           H        ASN  35   7.498  -0.986  -2.018
  256    HA   ASN  35           HA       ASN  35   9.004  -3.548  -1.589
  257    HB2  ASN  35           2HB      ASN  35   9.624  -0.698  -1.140
  258    HB3  ASN  35           1HB      ASN  35  10.005  -1.743   0.230
  259   HD21  ASN  35          1HD2      ASN  35  11.791  -0.384  -1.904
  260   HD22  ASN  35          2HD2      ASN  35  12.758  -1.661  -2.492
  261    HA   PRO  36           HA       PRO  36   5.522  -3.546   1.368
  262    HB2  PRO  36           2HB      PRO  36   5.298  -6.268   1.435
  263    HB3  PRO  36           1HB      PRO  36   4.532  -5.266   0.186
  264    HG2  PRO  36           2HG      PRO  36   7.032  -6.872   0.052
  265    HG3  PRO  36           1HG      PRO  36   5.781  -6.629  -1.176
  266    HD2  PRO  36           2HD      PRO  36   8.179  -5.328  -1.190
  267    HD3  PRO  36           1HD      PRO  36   6.693  -4.662  -1.905
  268    HA   PRO  37           HA       PRO  37   7.929  -4.485   4.930
  269    HB2  PRO  37           2HB      PRO  37   5.971  -5.195   6.702
  270    HB3  PRO  37           1HB      PRO  37   6.229  -3.519   6.176
  271    HG2  PRO  37           2HG      PRO  37   4.196  -5.495   5.266
  272    HG3  PRO  37           1HG      PRO  37   4.031  -3.755   5.548
  273    HD2  PRO  37           2HD      PRO  37   4.303  -4.861   3.067
  274    HD3  PRO  37           1HD      PRO  37   4.828  -3.210   3.473
  275    H    ALA  38           H        ALA  38   8.878  -6.324   5.930
  276    HA   ALA  38           HA       ALA  38   8.102  -8.938   4.788
  277    HB1  ALA  38           1HB      ALA  38  10.275  -9.577   5.446
  278    HB2  ALA  38           2HB      ALA  38  10.322  -8.397   6.755
  279    HB3  ALA  38           3HB      ALA  38  10.465  -7.862   5.080
  280    H    ASP  39           H        ASP  39   6.041  -8.221   6.411
  281    HA   ASP  39           HA       ASP  39   6.357 -10.081   8.713
  282    HB2  ASP  39           2HB      ASP  39   5.958  -7.131   8.759
  283    HB3  ASP  39           1HB      ASP  39   5.027  -8.071   9.925
  284    H    LYS  40           H        LYS  40   4.598  -9.294   6.049
  285    HA   LYS  40           HA       LYS  40   2.104 -10.382   7.274
  286    HB2  LYS  40           2HB      LYS  40   0.910  -8.713   5.727
  287    HB3  LYS  40           1HB      LYS  40   1.703  -8.057   7.160
  288    HG2  LYS  40           2HG      LYS  40   2.350  -6.646   5.360
  289    HG3  LYS  40           1HG      LYS  40   3.747  -7.670   5.678
  290    HD2  LYS  40           2HD      LYS  40   3.637  -8.593   3.627
  291    HD3  LYS  40           1HD      LYS  40   1.916  -8.933   3.810
  292    HE2  LYS  40           2HE      LYS  40   1.333  -6.676   3.108
  293    HE3  LYS  40           1HE      LYS  40   3.045  -6.213   3.068
  294    HZ1  LYS  40           3HZ      LYS  40   2.010  -6.977   0.884
  295    HZ2  LYS  40           1HZ      LYS  40   2.028  -8.537   1.548
  296    HZ3  LYS  40           2HZ      LYS  40   3.485  -7.691   1.332
  297    H    CYS  41           H        CYS  41   4.398 -10.563   4.765
  298    HA   CYS  41           HA       CYS  41   2.671 -12.522   3.331
  299    HB2  CYS  41           2HB      CYS  41   3.016  -9.931   2.447
  300    HB3  CYS  41           1HB      CYS  41   4.289 -10.791   1.580
  301    HA   PRO  42           HA       PRO  42   6.702 -14.440   3.800
  302    HB2  PRO  42           2HB      PRO  42   5.886 -16.943   3.053
  303    HB3  PRO  42           1HB      PRO  42   5.605 -16.281   4.676
  304    HG2  PRO  42           2HG      PRO  42   3.733 -16.512   2.377
  305    HG3  PRO  42           1HG      PRO  42   3.430 -16.730   4.107
  306    HD2  PRO  42           2HD      PRO  42   2.755 -14.473   2.718
  307    HD3  PRO  42           1HD      PRO  42   3.099 -14.497   4.463
  Start of MODEL   10
    1    H1   ILE   1           H        ILE   1  -2.398  16.023  -2.437
    2    HA   ILE   1           HA       ILE   1   0.303  14.961  -3.210
    3    HB   ILE   1           HB       ILE   1  -0.086  13.547  -1.090
    4   HG12  ILE   1          2HG1      ILE   1  -2.022  15.770  -0.426
    5   HG13  ILE   1          1HG1      ILE   1  -2.572  14.226  -1.082
    6   HG21  ILE   1          1HG2      ILE   1   0.426  15.640   0.382
    7   HG22  ILE   1          2HG2      ILE   1   0.398  16.516  -1.149
    8   HG23  ILE   1          3HG2      ILE   1   1.558  15.211  -0.901
    9   HD11  ILE   1          3HD1      ILE   1  -1.622  14.871   1.616
   10   HD12  ILE   1          1HD1      ILE   1  -0.828  13.456   0.925
   11   HD13  ILE   1          2HD1      ILE   1  -2.586  13.501   1.061
   12    HA   PRO   2           HA       PRO   2  -3.118  12.302  -4.927
   13    HB2  PRO   2           2HB      PRO   2  -2.443  12.547  -7.563
   14    HB3  PRO   2           1HB      PRO   2  -3.545  13.670  -6.740
   15    HG2  PRO   2           2HG      PRO   2  -0.693  14.016  -7.477
   16    HG3  PRO   2           1HG      PRO   2  -2.001  15.207  -7.425
   17    HD2  PRO   2           2HD      PRO   2  -0.042  14.920  -5.496
   18    HD3  PRO   2           1HD      PRO   2  -1.617  15.704  -5.240
   19    H    TYR   3           H        TYR   3  -0.773  11.378  -3.703
   20    HA   TYR   3           HA       TYR   3   0.254   9.408  -5.718
   21    HB2  TYR   3           2HB      TYR   3   1.772  11.350  -4.900
   22    HB3  TYR   3           1HB      TYR   3   1.824  10.471  -3.368
   23    HD1  TYR   3           2HD      TYR   3   1.880   9.428  -6.979
   24    HD2  TYR   3           1HD      TYR   3   3.813   9.284  -3.145
   25    HE1  TYR   3           2HE      TYR   3   3.614   7.916  -7.909
   26    HE2  TYR   3           1HE      TYR   3   5.547   7.774  -4.076
   27    HH   TYR   3           HH       TYR   3   6.026   6.397  -5.844
   28    H    CYS   4           H        CYS   4   1.220   7.439  -4.514
   29    HA   CYS   4           HA       CYS   4  -0.777   6.486  -2.566
   30    HB2  CYS   4           2HB      CYS   4   0.264   5.283  -4.619
   31    HB3  CYS   4           1HB      CYS   4   1.667   5.035  -3.581
   32    H    GLY   5           H        GLY   5   2.815   6.460  -2.655
   33    HA2  GLY   5           2HA      GLY   5   3.264   7.699  -0.167
   34    HA3  GLY   5           1HA      GLY   5   3.084   5.971   0.166
   35    H    GLN   6           H        GLN   6   5.494   6.675   0.817
   36    HA   GLN   6           HA       GLN   6   7.327   6.581  -1.518
   37    HB2  GLN   6           2HB      GLN   6   7.444   8.084   0.619
   38    HB3  GLN   6           1HB      GLN   6   8.100   6.638   1.395
   39    HG2  GLN   6           2HG      GLN   6  10.082   6.810   0.304
   40    HG3  GLN   6           1HG      GLN   6   9.307   7.237  -1.221
   41   HE21  GLN   6          1HE2      GLN   6  10.921   8.524   1.585
   42   HE22  GLN   6          2HE2      GLN   6  10.775  10.171   1.162
   43    H    THR   7           H        THR   7   5.921   4.438   0.789
   44    HA   THR   7           HA       THR   7   7.799   2.281  -0.098
   45    HB   THR   7           HB       THR   7   7.752   1.495   2.300
   46    HG1  THR   7           1HG      THR   7   5.788   2.923   2.611
   47   HG21  THR   7          3HG2      THR   7   9.653   2.666   2.644
   48   HG22  THR   7          1HG2      THR   7   8.796   4.208   2.627
   49   HG23  THR   7          2HG2      THR   7   9.301   3.462   1.110
   50    H    GLY   8           H        GLY   8   6.741   0.347  -0.537
   51    HA2  GLY   8           2HA      GLY   8   4.044   0.164  -1.108
   52    HA3  GLY   8           1HA      GLY   8   4.993  -1.240  -0.606
   53    H    ALA   9           H        ALA   9   5.571  -0.498   2.044
   54    HA   ALA   9           HA       ALA   9   3.445  -1.471   3.543
   55    HB1  ALA   9           1HB      ALA   9   5.960  -0.299   3.953
   56    HB2  ALA   9           2HB      ALA   9   4.951  -1.060   5.184
   57    HB3  ALA   9           3HB      ALA   9   4.852   0.680   4.915
   58    H    GLU  10           H        GLU  10   4.149   2.000   2.986
   59    HA   GLU  10           HA       GLU  10   2.021   3.193   4.333
   60    HB2  GLU  10           2HB      GLU  10   3.469   3.771   1.753
   61    HB3  GLU  10           1HB      GLU  10   2.209   4.860   2.332
   62    HG2  GLU  10           2HG      GLU  10   4.507   3.985   4.087
   63    HG3  GLU  10           1HG      GLU  10   4.604   5.413   3.052
   64    H    CYS  11           H        CYS  11   1.976   2.012   0.955
   65    HA   CYS  11           HA       CYS  11  -0.825   2.608   0.542
   66    HB2  CYS  11           2HB      CYS  11   1.147   0.785  -0.866
   67    HB3  CYS  11           1HB      CYS  11  -0.416   1.270  -1.523
   68    H    TYR  12           H        TYR  12   0.950  -0.392   1.340
   69    HA   TYR  12           HA       TYR  12  -1.098  -2.253   1.099
   70    HB2  TYR  12           2HB      TYR  12   1.355  -2.517   1.754
   71    HB3  TYR  12           1HB      TYR  12   0.841  -2.187   3.404
   72    HD1  TYR  12           1HD      TYR  12  -1.311  -3.610   4.184
   73    HD2  TYR  12           2HD      TYR  12   1.401  -4.730   1.061
   74    HE1  TYR  12           1HE      TYR  12  -2.003  -5.976   4.432
   75    HE2  TYR  12           2HE      TYR  12   0.709  -7.094   1.299
   76    HH   TYR  12           HH       TYR  12  -1.004  -8.241   3.946
   77    H    SER  13           H        SER  13  -0.866   0.322   3.421
   78    HA   SER  13           HA       SER  13  -2.808  -0.871   5.287
   79    HB2  SER  13           2HB      SER  13  -1.119   1.564   5.034
   80    HB3  SER  13           1HB      SER  13  -2.584   1.733   5.997
   81    HG   SER  13           HG       SER  13  -1.884   0.134   7.335
   82    H    TRP  14           H        TRP  14  -2.830   1.424   2.597
   83    HA   TRP  14           HA       TRP  14  -5.593   2.296   3.128
   84    HB2  TRP  14           2HB      TRP  14  -4.099   3.913   2.230
   85    HB3  TRP  14           1HB      TRP  14  -3.477   2.782   1.024
   86    HD1  TRP  14           HD       TRP  14  -6.638   4.805   1.864
   87    HE1  TRP  14           1HE      TRP  14  -7.970   5.174  -0.313
   88    HE3  TRP  14           3HE      TRP  14  -3.864   1.975  -1.359
   89    HZ2  TRP  14           2HZ      TRP  14  -7.872   4.372  -3.058
   90    HZ3  TRP  14           3HZ      TRP  14  -4.504   1.798  -3.747
   91    HH2  TRP  14           HH       TRP  14  -6.502   2.993  -4.600
   92    H    CYS  15           H        CYS  15  -3.928  -0.017   1.053
   93    HA   CYS  15           HA       CYS  15  -6.036  -0.502  -0.832
   94    HB2  CYS  15           2HB      CYS  15  -4.697  -2.492  -1.329
   95    HB3  CYS  15           1HB      CYS  15  -3.636  -1.108  -1.056
   96    H    ILE  16           H        ILE  16  -5.308  -1.920   2.343
   97    HA   ILE  16           HA       ILE  16  -7.200  -4.083   2.180
   98    HB   ILE  16           HB       ILE  16  -5.996  -2.586   4.517
   99   HG12  ILE  16          2HG1      ILE  16  -5.133  -4.906   2.789
  100   HG13  ILE  16          1HG1      ILE  16  -4.218  -3.469   3.232
  101   HG21  ILE  16          1HG2      ILE  16  -7.035  -5.425   4.483
  102   HG22  ILE  16          2HG2      ILE  16  -8.075  -4.067   4.918
  103   HG23  ILE  16          3HG2      ILE  16  -6.641  -4.423   5.881
  104   HD11  ILE  16          3HD1      ILE  16  -4.859  -4.631   5.676
  105   HD12  ILE  16          1HD1      ILE  16  -3.293  -4.710   4.870
  106   HD13  ILE  16          2HD1      ILE  16  -4.471  -6.002   4.640
  107    H    LYS  17           H        LYS  17  -7.601  -0.687   2.684
  108    HA   LYS  17           HA       LYS  17  -9.912  -0.641   4.347
  109    HB2  LYS  17           2HB      LYS  17  -8.436   1.265   3.680
  110    HB3  LYS  17           1HB      LYS  17  -9.119   1.183   2.055
  111    HG2  LYS  17           2HG      LYS  17 -11.012   2.230   2.682
  112    HG3  LYS  17           1HG      LYS  17 -11.163   1.264   4.148
  113    HD2  LYS  17           2HD      LYS  17  -8.904   3.018   4.422
  114    HD3  LYS  17           1HD      LYS  17 -10.310   3.965   3.936
  115    HE2  LYS  17           2HE      LYS  17 -10.319   3.840   6.363
  116    HE3  LYS  17           1HE      LYS  17 -11.611   2.773   5.777
  117    HZ1  LYS  17           3HZ      LYS  17 -10.432   0.911   6.252
  118    HZ2  LYS  17           1HZ      LYS  17  -9.745   1.917   7.433
  119    HZ3  LYS  17           2HZ      LYS  17  -8.926   1.644   5.970
  120    H    GLN  18           H        GLN  18  -9.489  -1.622   1.041
  121    HA   GLN  18           HA       GLN  18 -12.183  -1.157   0.104
  122    HB2  GLN  18           2HB      GLN  18  -9.958  -3.054  -0.704
  123    HB3  GLN  18           1HB      GLN  18 -11.428  -2.814  -1.649
  124    HG2  GLN  18           2HG      GLN  18  -9.266  -0.793  -1.022
  125    HG3  GLN  18           1HG      GLN  18  -9.818  -1.339  -2.608
  126   HE21  GLN  18          1HE2      GLN  18 -10.213   1.118  -0.271
  127   HE22  GLN  18          2HE2      GLN  18 -11.652   1.790  -0.872
  128    H    ASP  19           H        ASP  19 -10.803  -3.458   2.252
  129    HA   ASP  19           HA       ASP  19 -11.890  -5.124   3.540
  130    HB2  ASP  19           2HB      ASP  19 -13.899  -3.480   2.557
  131    HB3  ASP  19           1HB      ASP  19 -14.408  -5.096   2.054
  132    H    LEU  20           H        LEU  20 -10.249  -6.141   1.639
  133    HA   LEU  20           HA       LEU  20 -11.890  -8.234   0.237
  134    HB2  LEU  20           2HB      LEU  20  -9.027  -7.610  -0.410
  135    HB3  LEU  20           1HB      LEU  20 -10.284  -8.229  -1.470
  136    HG   LEU  20           HG       LEU  20  -9.845  -5.403  -0.521
  137   HD11  LEU  20          1HD1      LEU  20  -9.483  -6.895  -2.947
  138   HD12  LEU  20          2HD1      LEU  20  -9.087  -5.207  -2.625
  139   HD13  LEU  20          3HD1      LEU  20 -10.689  -5.639  -3.222
  140   HD21  LEU  20          3HD2      LEU  20 -12.083  -5.110  -0.347
  141   HD22  LEU  20          1HD2      LEU  20 -12.390  -6.764  -0.873
  142   HD23  LEU  20          2HD2      LEU  20 -12.202  -5.479  -2.066
  143    H    SER  21           H        SER  21  -8.549  -7.879   1.505
  144    HA   SER  21           HA       SER  21  -8.668  -9.830   3.544
  145    HB2  SER  21           2HB      SER  21  -8.896 -10.866   0.874
  146    HB3  SER  21           1HB      SER  21  -7.379 -11.427   1.570
  147    HG   SER  21           HG       SER  21  -9.662 -11.483   3.172
  148    H    LYS  22           H        LYS  22  -6.350 -10.839   3.899
  149    HA   LYS  22           HA       LYS  22  -4.417  -8.689   3.865
  150    HB2  LYS  22           2HB      LYS  22  -4.460 -11.622   4.559
  151    HB3  LYS  22           1HB      LYS  22  -2.936 -10.731   4.579
  152    HG2  LYS  22           2HG      LYS  22  -3.644  -9.304   6.303
  153    HG3  LYS  22           1HG      LYS  22  -5.351  -9.639   6.008
  154    HD2  LYS  22           2HD      LYS  22  -5.154 -11.859   6.918
  155    HD3  LYS  22           1HD      LYS  22  -3.396 -11.727   7.002
  156    HE2  LYS  22           2HE      LYS  22  -3.471 -10.583   8.973
  157    HE3  LYS  22           1HE      LYS  22  -4.824  -9.571   8.429
  158    HZ1  LYS  22           3HZ      LYS  22  -5.243 -11.362  10.235
  159    HZ2  LYS  22           1HZ      LYS  22  -5.243 -12.442   8.928
  160    HZ3  LYS  22           2HZ      LYS  22  -6.370 -11.171   8.977
  161    H    ASP  23           H        ASP  23  -4.542 -11.827   2.140
  162    HA   ASP  23           HA       ASP  23  -2.228 -11.374   0.519
  163    HB2  ASP  23           2HB      ASP  23  -3.135 -13.263  -0.760
  164    HB3  ASP  23           1HB      ASP  23  -3.374 -13.553   0.963
  165    H    TRP  24           H        TRP  24  -5.545 -10.287   0.301
  166    HA   TRP  24           HA       TRP  24  -5.848  -9.690  -2.419
  167    HB2  TRP  24           2HB      TRP  24  -7.738  -8.936  -1.413
  168    HB3  TRP  24           1HB      TRP  24  -6.930  -8.900   0.153
  169    HD1  TRP  24           HD       TRP  24  -6.955  -6.585   1.191
  170    HE1  TRP  24           1HE      TRP  24  -6.901  -4.162   0.325
  171    HE3  TRP  24           3HE      TRP  24  -6.765  -7.449  -3.826
  172    HZ2  TRP  24           2HZ      TRP  24  -6.785  -2.767  -2.173
  173    HZ3  TRP  24           3HZ      TRP  24  -6.681  -5.562  -5.433
  174    HH2  TRP  24           HH       TRP  24  -6.693  -3.222  -4.611
  175    H    CYS  25           H        CYS  25  -4.190  -7.760   0.092
  176    HA   CYS  25           HA       CYS  25  -3.320  -5.768  -1.881
  177    HB2  CYS  25           2HB      CYS  25  -3.930  -5.463   0.628
  178    HB3  CYS  25           1HB      CYS  25  -2.294  -6.061   0.936
  179    H    CYS  26           H        CYS  26  -1.722  -8.318   0.075
  180    HA   CYS  26           HA       CYS  26   0.949  -7.895  -0.518
  181    HB2  CYS  26           2HB      CYS  26  -0.499  -9.871   0.607
  182    HB3  CYS  26           1HB      CYS  26  -0.096 -10.660  -0.917
  183    H    ASP  27           H        ASP  27  -1.555  -9.129  -2.692
  184    HA   ASP  27           HA       ASP  27   0.363  -9.604  -4.883
  185    HB2  ASP  27           2HB      ASP  27  -1.974 -10.734  -4.145
  186    HB3  ASP  27           1HB      ASP  27  -2.589  -9.541  -5.290
  187    H    PHE  28           H        PHE  28  -1.712  -7.047  -3.734
  188    HA   PHE  28           HA       PHE  28  -1.955  -5.630  -6.275
  189    HB2  PHE  28           2HB      PHE  28  -3.643  -5.307  -4.633
  190    HB3  PHE  28           1HB      PHE  28  -2.454  -5.044  -3.355
  191    HD1  PHE  28           1HD      PHE  28  -3.578  -3.598  -6.627
  192    HD2  PHE  28           2HD      PHE  28  -1.870  -2.863  -2.754
  193    HE1  PHE  28           1HE      PHE  28  -3.640  -1.158  -7.062
  194    HE2  PHE  28           2HE      PHE  28  -1.932  -0.425  -3.189
  195    HZ   PHE  28           HZ       PHE  28  -2.819   0.430  -5.344
  196    H    VAL  29           H        VAL  29  -0.324  -4.630  -3.242
  197    HA   VAL  29           HA       VAL  29   1.285  -2.621  -4.466
  198    HB   VAL  29           HB       VAL  29   1.094  -2.484  -2.135
  199   HG11  VAL  29          1HG1      VAL  29   1.579  -5.452  -2.166
  200   HG12  VAL  29          2HG1      VAL  29   0.222  -4.557  -1.475
  201   HG13  VAL  29          3HG1      VAL  29   1.797  -4.514  -0.689
  202   HG21  VAL  29          3HG2      VAL  29   3.265  -2.172  -1.599
  203   HG22  VAL  29          1HG2      VAL  29   3.634  -2.835  -3.191
  204   HG23  VAL  29          2HG2      VAL  29   3.633  -3.887  -1.778
  205    H    LYS  30           H        LYS  30   1.849  -6.084  -3.959
  206    HA   LYS  30           HA       LYS  30   4.608  -6.151  -4.739
  207    HB2  LYS  30           2HB      LYS  30   3.585  -8.022  -3.629
  208    HB3  LYS  30           1HB      LYS  30   2.312  -8.126  -4.846
  209    HG2  LYS  30           2HG      LYS  30   5.102  -8.337  -5.848
  210    HG3  LYS  30           1HG      LYS  30   4.511  -9.699  -4.896
  211    HD2  LYS  30           2HD      LYS  30   3.041 -10.346  -6.508
  212    HD3  LYS  30           1HD      LYS  30   2.593  -8.684  -6.896
  213    HE2  LYS  30           2HE      LYS  30   3.726  -9.449  -8.845
  214    HE3  LYS  30           1HE      LYS  30   4.966  -8.528  -7.969
  215    HZ1  LYS  30           3HZ      LYS  30   6.069 -10.386  -7.389
  216    HZ2  LYS  30           1HZ      LYS  30   5.273 -11.082  -8.715
  217    HZ3  LYS  30           2HZ      LYS  30   4.653 -11.292  -7.147
  218    H    ASP  31           H        ASP  31   1.582  -6.220  -6.577
  219    HA   ASP  31           HA       ASP  31   2.510  -6.991  -9.124
  220    HB2  ASP  31           2HB      ASP  31   0.220  -5.848  -7.901
  221    HB3  ASP  31           1HB      ASP  31   0.617  -4.812  -9.273
  222    H    ILE  32           H        ILE  32   2.346  -3.683  -7.748
  223    HA   ILE  32           HA       ILE  32   3.855  -2.586 -10.026
  224    HB   ILE  32           HB       ILE  32   3.467  -0.471  -8.820
  225   HG12  ILE  32          2HG1      ILE  32   2.091  -2.076  -6.663
  226   HG13  ILE  32          1HG1      ILE  32   3.801  -1.656  -6.539
  227   HG21  ILE  32          1HG2      ILE  32   1.168  -0.412  -9.178
  228   HG22  ILE  32          2HG2      ILE  32   0.915  -2.011  -8.476
  229   HG23  ILE  32          3HG2      ILE  32   1.611  -1.856 -10.089
  230   HD11  ILE  32          3HD1      ILE  32   1.576   0.355  -6.986
  231   HD12  ILE  32          1HD1      ILE  32   3.280   0.716  -6.710
  232   HD13  ILE  32          2HD1      ILE  32   2.308   0.011  -5.419
  233    H    ARG  33           H        ARG  33   5.325  -4.561  -8.613
  234    HA   ARG  33           HA       ARG  33   7.246  -4.897  -7.229
  235    HB2  ARG  33           2HB      ARG  33   9.096  -3.961  -8.456
  236    HB3  ARG  33           1HB      ARG  33   7.812  -4.291  -9.615
  237    HG2  ARG  33           2HG      ARG  33   7.580  -2.100 -10.135
  238    HG3  ARG  33           1HG      ARG  33   7.623  -1.610  -8.443
  239    HD2  ARG  33           2HD      ARG  33   9.580  -0.659  -9.514
  240    HD3  ARG  33           1HD      ARG  33  10.143  -2.009  -8.510
  241    HE   ARG  33           HE       ARG  33   9.498  -3.113 -11.020
  242   HH11  ARG  33          1HH2      ARG  33  11.649  -0.763  -9.678
  243   HH12  ARG  33          2HH2      ARG  33  12.887  -1.037 -10.858
  244   HH21  ARG  33          1HH1      ARG  33  11.109  -3.472 -12.564
  245   HH22  ARG  33          2HH1      ARG  33  12.581  -2.563 -12.490
  246    H    MET  34           H        MET  34   5.721  -3.456  -5.516
  247    HA   MET  34           HA       MET  34   7.306  -1.051  -4.724
  248    HB2  MET  34           2HB      MET  34   4.529  -1.904  -4.661
  249    HB3  MET  34           1HB      MET  34   5.062  -1.372  -3.064
  250    HG2  MET  34           2HG      MET  34   5.391   0.204  -5.634
  251    HG3  MET  34           1HG      MET  34   4.174   0.519  -4.392
  252    HE1  MET  34           3HE      MET  34   4.978   2.375  -2.148
  253    HE2  MET  34           1HE      MET  34   4.354   2.423  -3.802
  254    HE3  MET  34           2HE      MET  34   5.730   3.426  -3.346
  255    H    ASN  35           H        ASN  35   6.900  -0.981  -2.019
  256    HA   ASN  35           HA       ASN  35   8.249  -3.484  -1.054
  257    HB2  ASN  35           2HB      ASN  35   8.509  -0.564  -0.278
  258    HB3  ASN  35           1HB      ASN  35   9.292  -1.878   0.601
  259   HD21  ASN  35          1HD2      ASN  35  10.109  -3.552  -1.510
  260   HD22  ASN  35          2HD2      ASN  35  11.236  -2.724  -2.487
  261    HA   PRO  36           HA       PRO  36   4.418  -3.257   1.411
  262    HB2  PRO  36           2HB      PRO  36   3.954  -5.948   1.414
  263    HB3  PRO  36           1HB      PRO  36   3.449  -4.887   0.086
  264    HG2  PRO  36           2HG      PRO  36   5.692  -6.799   0.221
  265    HG3  PRO  36           1HG      PRO  36   4.747  -6.256  -1.172
  266    HD2  PRO  36           2HD      PRO  36   7.316  -5.386  -0.464
  267    HD3  PRO  36           1HD      PRO  36   6.238  -4.628  -1.655
  268    HA   PRO  37           HA       PRO  37   6.163  -4.520   5.256
  269    HB2  PRO  37           2HB      PRO  37   4.058  -5.635   6.605
  270    HB3  PRO  37           1HB      PRO  37   4.196  -3.891   6.300
  271    HG2  PRO  37           2HG      PRO  37   2.544  -5.932   4.907
  272    HG3  PRO  37           1HG      PRO  37   2.172  -4.244   5.290
  273    HD2  PRO  37           2HD      PRO  37   2.943  -5.127   2.807
  274    HD3  PRO  37           1HD      PRO  37   3.166  -3.462   3.391
  275    H    ALA  38           H        ALA  38   7.465  -6.258   5.756
  276    HA   ALA  38           HA       ALA  38   6.922  -8.874   4.519
  277    HB1  ALA  38           1HB      ALA  38   9.171  -8.679   4.447
  278    HB2  ALA  38           2HB      ALA  38   9.182  -8.990   6.183
  279    HB3  ALA  38           3HB      ALA  38   9.142  -7.332   5.585
  280    H    ASP  39           H        ASP  39   6.295  -7.375   7.549
  281    HA   ASP  39           HA       ASP  39   6.372  -9.867   9.121
  282    HB2  ASP  39           2HB      ASP  39   6.986  -7.809  10.201
  283    HB3  ASP  39           1HB      ASP  39   5.529  -7.000   9.623
  284    H    LYS  40           H        LYS  40   4.022  -7.963   7.337
  285    HA   LYS  40           HA       LYS  40   1.709  -9.317   8.563
  286    HB2  LYS  40           2HB      LYS  40   1.905  -6.892   7.712
  287    HB3  LYS  40           1HB      LYS  40   1.786  -7.579   6.091
  288    HG2  LYS  40           2HG      LYS  40  -0.445  -6.961   6.784
  289    HG3  LYS  40           1HG      LYS  40  -0.344  -8.721   6.820
  290    HD2  LYS  40           2HD      LYS  40   0.535  -7.804   9.356
  291    HD3  LYS  40           1HD      LYS  40  -0.943  -6.920   8.980
  292    HE2  LYS  40           2HE      LYS  40  -2.166  -8.763   9.459
  293    HE3  LYS  40           1HE      LYS  40  -1.298  -9.668   8.203
  294    HZ1  LYS  40           3HZ      LYS  40  -1.027 -10.466  10.594
  295    HZ2  LYS  40           1HZ      LYS  40  -0.068  -9.088  10.830
  296    HZ3  LYS  40           2HZ      LYS  40   0.391 -10.254   9.683
  297    H    CYS  41           H        CYS  41   2.831  -9.007   5.163
  298    HA   CYS  41           HA       CYS  41   1.994 -11.855   4.758
  299    HB2  CYS  41           2HB      CYS  41   0.806 -11.238   2.822
  300    HB3  CYS  41           1HB      CYS  41   0.467  -9.901   3.924
  301    HA   PRO  42           HA       PRO  42   6.037 -12.279   3.086
  302    HB2  PRO  42           2HB      PRO  42   5.656 -14.593   1.679
  303    HB3  PRO  42           1HB      PRO  42   5.779 -14.547   3.450
  304    HG2  PRO  42           2HG      PRO  42   3.365 -14.758   1.728
  305    HG3  PRO  42           1HG      PRO  42   3.718 -15.535   3.278
  306    HD2  PRO  42           2HD      PRO  42   2.090 -13.354   2.999
  307    HD3  PRO  42           1HD      PRO  42   2.981 -13.746   4.490
  Start of MODEL   11
    1    H1   ILE   1           H        ILE   1   8.502  15.739  -3.396
    2    HA   ILE   1           HA       ILE   1   6.225  16.082  -1.614
    3    HB   ILE   1           HB       ILE   1   6.464  14.681  -4.294
    4   HG12  ILE   1          2HG1      ILE   1   7.436  16.879  -4.515
    5   HG13  ILE   1          1HG1      ILE   1   5.803  16.964  -5.180
    6   HG21  ILE   1          1HG2      ILE   1   4.166  15.959  -2.790
    7   HG22  ILE   1          2HG2      ILE   1   4.314  14.276  -3.297
    8   HG23  ILE   1          3HG2      ILE   1   4.087  15.544  -4.502
    9   HD11  ILE   1          3HD1      ILE   1   5.015  17.784  -2.929
   10   HD12  ILE   1          1HD1      ILE   1   6.114  18.892  -3.754
   11   HD13  ILE   1          2HD1      ILE   1   6.707  17.880  -2.438
   12    HA   PRO   2           HA       PRO   2   6.808  11.903  -0.041
   13    HB2  PRO   2           2HB      PRO   2   5.248  12.238   2.172
   14    HB3  PRO   2           1HB      PRO   2   6.923  12.820   2.079
   15    HG2  PRO   2           2HG      PRO   2   4.385  14.327   1.884
   16    HG3  PRO   2           1HG      PRO   2   5.957  14.833   2.517
   17    HD2  PRO   2           2HD      PRO   2   4.910  15.499   0.019
   18    HD3  PRO   2           1HD      PRO   2   6.611  15.646   0.511
   19    H    TYR   3           H        TYR   3   5.056  12.160  -2.179
   20    HA   TYR   3           HA       TYR   3   2.309  11.853  -1.843
   21    HB2  TYR   3           2HB      TYR   3   2.658  10.200  -3.875
   22    HB3  TYR   3           1HB      TYR   3   3.050  11.911  -4.044
   23    HD1  TYR   3           1HD      TYR   3   5.091   9.547  -2.037
   24    HD2  TYR   3           2HD      TYR   3   4.710  11.639  -5.772
   25    HE1  TYR   3           1HE      TYR   3   7.433   8.969  -2.601
   26    HE2  TYR   3           2HE      TYR   3   7.054  11.062  -6.332
   27    HH   TYR   3           HH       TYR   3   8.829   9.820  -5.754
   28    H    CYS   4           H        CYS   4   3.380   8.783  -2.921
   29    HA   CYS   4           HA       CYS   4   1.989   7.492  -0.661
   30    HB2  CYS   4           2HB      CYS   4   2.229   7.069  -3.387
   31    HB3  CYS   4           1HB      CYS   4   3.279   5.824  -2.707
   32    H    GLY   5           H        GLY   5   4.008   8.419   0.674
   33    HA2  GLY   5           2HA      GLY   5   6.074   8.004   1.740
   34    HA3  GLY   5           1HA      GLY   5   5.458   6.349   1.781
   35    H    GLN   6           H        GLN   6   7.624   5.541   1.499
   36    HA   GLN   6           HA       GLN   6   8.710   5.909  -1.277
   37    HB2  GLN   6           2HB      GLN   6   9.922   5.784   1.462
   38    HB3  GLN   6           1HB      GLN   6  10.869   5.170   0.102
   39    HG2  GLN   6           2HG      GLN   6   9.721   7.631  -0.733
   40    HG3  GLN   6           1HG      GLN   6  10.410   7.901   0.868
   41   HE21  GLN   6          1HE2      GLN   6  11.177   7.260  -2.486
   42   HE22  GLN   6          2HE2      GLN   6  12.873   7.292  -2.306
   43    H    THR   7           H        THR   7   6.803   3.824   0.012
   44    HA   THR   7           HA       THR   7   8.075   1.488  -1.249
   45    HB   THR   7           HB       THR   7   7.377   0.559   1.335
   46    HG1  THR   7           1HG      THR   7   8.809   1.918   2.562
   47   HG21  THR   7          3HG2      THR   7   9.589  -0.209   1.371
   48   HG22  THR   7          1HG2      THR   7  10.190   1.191   0.483
   49   HG23  THR   7          2HG2      THR   7   9.261  -0.052  -0.354
   50    H    GLY   8           H        GLY   8   6.496  -0.529  -0.355
   51    HA2  GLY   8           2HA      GLY   8   3.851   0.251  -1.377
   52    HA3  GLY   8           1HA      GLY   8   4.387  -1.394  -1.029
   53    H    ALA   9           H        ALA   9   5.165  -1.125   1.659
   54    HA   ALA   9           HA       ALA   9   2.882  -1.625   3.131
   55    HB1  ALA   9           1HB      ALA   9   5.606  -0.580   3.675
   56    HB2  ALA   9           2HB      ALA   9   4.791  -1.992   4.346
   57    HB3  ALA   9           3HB      ALA   9   4.437  -0.386   4.981
   58    H    GLU  10           H        GLU  10   4.434   1.593   2.955
   59    HA   GLU  10           HA       GLU  10   2.707   3.132   4.469
   60    HB2  GLU  10           2HB      GLU  10   3.180   4.870   2.502
   61    HB3  GLU  10           1HB      GLU  10   4.483   4.307   3.545
   62    HG2  GLU  10           2HG      GLU  10   3.979   2.556   1.237
   63    HG3  GLU  10           1HG      GLU  10   4.514   4.186   0.802
   64    H    CYS  11           H        CYS  11   2.152   2.290   1.015
   65    HA   CYS  11           HA       CYS  11  -0.557   3.476   1.143
   66    HB2  CYS  11           2HB      CYS  11   0.661   1.914  -1.137
   67    HB3  CYS  11           1HB      CYS  11  -0.499   3.237  -1.215
   68    H    TYR  12           H        TYR  12   0.981   0.308   0.869
   69    HA   TYR  12           HA       TYR  12  -1.185  -1.383   0.328
   70    HB2  TYR  12           2HB      TYR  12   1.205  -1.973   0.470
   71    HB3  TYR  12           1HB      TYR  12   1.177  -1.699   2.211
   72    HD1  TYR  12           2HD      TYR  12  -1.942  -3.081   1.274
   73    HD2  TYR  12           1HD      TYR  12   2.165  -4.139   1.918
   74    HE1  TYR  12           2HE      TYR  12  -2.602  -5.438   1.649
   75    HE2  TYR  12           1HE      TYR  12   1.502  -6.496   2.297
   76    HH   TYR  12           HH       TYR  12  -0.359  -7.810   2.842
   77    H    SER  13           H        SER  13  -0.064  -0.259   3.555
   78    HA   SER  13           HA       SER  13  -1.807  -1.565   5.261
   79    HB2  SER  13           2HB      SER  13  -0.782   1.271   5.150
   80    HB3  SER  13           1HB      SER  13  -1.759   0.716   6.505
   81    HG   SER  13           HG       SER  13   0.660  -0.442   5.562
   82    H    TRP  14           H        TRP  14  -2.595   1.275   3.241
   83    HA   TRP  14           HA       TRP  14  -5.347   1.419   4.232
   84    HB2  TRP  14           2HB      TRP  14  -4.328   3.451   3.561
   85    HB3  TRP  14           1HB      TRP  14  -3.687   2.735   2.079
   86    HD1  TRP  14           HD       TRP  14  -6.719   4.442   3.504
   87    HE1  TRP  14           1HE      TRP  14  -8.490   4.746   1.655
   88    HE3  TRP  14           3HE      TRP  14  -4.658   1.567  -0.178
   89    HZ2  TRP  14           2HZ      TRP  14  -8.966   3.892  -1.031
   90    HZ3  TRP  14           3HZ      TRP  14  -5.788   1.331  -2.370
   91    HH2  TRP  14           HH       TRP  14  -7.938   2.490  -2.802
   92    H    CYS  15           H        CYS  15  -3.672   0.049   1.441
   93    HA   CYS  15           HA       CYS  15  -5.866  -0.480  -0.267
   94    HB2  CYS  15           2HB      CYS  15  -3.394  -0.709  -0.697
   95    HB3  CYS  15           1HB      CYS  15  -3.421  -2.196   0.250
   96    H    ILE  16           H        ILE  16  -4.894  -2.060   2.712
   97    HA   ILE  16           HA       ILE  16  -6.498  -4.466   2.232
   98    HB   ILE  16           HB       ILE  16  -5.011  -3.315   4.605
   99   HG12  ILE  16          2HG1      ILE  16  -4.393  -5.151   2.328
  100   HG13  ILE  16          1HG1      ILE  16  -3.358  -3.974   3.129
  101   HG21  ILE  16          1HG2      ILE  16  -6.928  -4.813   5.253
  102   HG22  ILE  16          2HG2      ILE  16  -5.345  -5.446   5.706
  103   HG23  ILE  16          3HG2      ILE  16  -6.183  -6.094   4.296
  104   HD11  ILE  16          3HD1      ILE  16  -3.252  -5.505   5.117
  105   HD12  ILE  16          1HD1      ILE  16  -2.546  -6.202   3.658
  106   HD13  ILE  16          2HD1      ILE  16  -4.153  -6.701   4.186
  107    H    LYS  17           H        LYS  17  -7.007  -1.345   3.801
  108    HA   LYS  17           HA       LYS  17  -9.113  -1.953   5.570
  109    HB2  LYS  17           2HB      LYS  17  -7.941   0.230   5.271
  110    HB3  LYS  17           1HB      LYS  17  -8.804   0.455   3.749
  111    HG2  LYS  17           2HG      LYS  17 -10.924   0.524   4.860
  112    HG3  LYS  17           1HG      LYS  17 -10.218  -0.008   6.384
  113    HD2  LYS  17           2HD      LYS  17  -8.720   2.229   5.813
  114    HD3  LYS  17           1HD      LYS  17 -10.310   2.686   5.202
  115    HE2  LYS  17           2HE      LYS  17 -10.298   3.342   7.512
  116    HE3  LYS  17           1HE      LYS  17 -11.235   1.835   7.461
  117    HZ1  LYS  17           3HZ      LYS  17  -9.105   0.640   7.855
  118    HZ2  LYS  17           1HZ      LYS  17  -9.604   1.599   9.161
  119    HZ3  LYS  17           2HZ      LYS  17  -8.359   2.140   8.140
  120    H    GLN  18           H        GLN  18  -9.108  -1.878   2.071
  121    HA   GLN  18           HA       GLN  18 -11.727  -1.474   1.288
  122    HB2  GLN  18           2HB      GLN  18  -9.506  -3.300   0.552
  123    HB3  GLN  18           1HB      GLN  18 -11.087  -3.706  -0.113
  124    HG2  GLN  18           2HG      GLN  18  -9.879  -2.236  -1.636
  125    HG3  GLN  18           1HG      GLN  18 -11.296  -1.402  -0.991
  126   HE21  GLN  18          1HE2      GLN  18 -10.924   0.556   0.122
  127   HE22  GLN  18          2HE2      GLN  18  -9.385   1.139   0.537
  128    H    ASP  19           H        ASP  19 -10.378  -4.349   2.802
  129    HA   ASP  19           HA       ASP  19 -11.528  -5.758   4.416
  130    HB2  ASP  19           2HB      ASP  19 -13.465  -4.094   4.257
  131    HB3  ASP  19           1HB      ASP  19 -14.076  -5.085   2.927
  132    H    LEU  20           H        LEU  20 -10.213  -6.487   1.970
  133    HA   LEU  20           HA       LEU  20 -11.999  -8.616   0.856
  134    HB2  LEU  20           2HB      LEU  20  -9.269  -7.664  -0.048
  135    HB3  LEU  20           1HB      LEU  20 -10.341  -8.724  -0.941
  136    HG   LEU  20           HG       LEU  20 -10.363  -5.784  -0.694
  137   HD11  LEU  20          1HD1      LEU  20 -10.599  -7.856  -2.674
  138   HD12  LEU  20          2HD1      LEU  20 -10.321  -6.130  -2.907
  139   HD13  LEU  20          3HD1      LEU  20 -11.968  -6.752  -2.811
  140   HD21  LEU  20          3HD2      LEU  20 -12.951  -5.929  -1.195
  141   HD22  LEU  20          1HD2      LEU  20 -12.391  -5.900   0.476
  142   HD23  LEU  20          2HD2      LEU  20 -12.850  -7.428  -0.273
  143    H    SER  21           H        SER  21  -8.480  -8.426   1.421
  144    HA   SER  21           HA       SER  21  -8.337 -10.423   3.472
  145    HB2  SER  21           2HB      SER  21  -7.750 -12.357   2.107
  146    HB3  SER  21           1HB      SER  21  -9.295 -11.732   1.541
  147    HG   SER  21           HG       SER  21  -8.375 -11.054  -0.258
  148    H    LYS  22           H        LYS  22  -5.952 -11.439   3.358
  149    HA   LYS  22           HA       LYS  22  -4.096  -9.209   3.228
  150    HB2  LYS  22           2HB      LYS  22  -4.295 -11.730   4.420
  151    HB3  LYS  22           1HB      LYS  22  -2.950 -11.896   3.293
  152    HG2  LYS  22           2HG      LYS  22  -1.653 -10.337   4.390
  153    HG3  LYS  22           1HG      LYS  22  -3.050  -9.430   4.973
  154    HD2  LYS  22           2HD      LYS  22  -3.494 -11.703   6.305
  155    HD3  LYS  22           1HD      LYS  22  -1.744 -11.849   6.133
  156    HE2  LYS  22           2HE      LYS  22  -1.431 -10.328   7.780
  157    HE3  LYS  22           1HE      LYS  22  -2.422  -9.144   6.907
  158    HZ1  LYS  22           3HZ      LYS  22  -3.421 -11.353   8.627
  159    HZ2  LYS  22           1HZ      LYS  22  -4.408 -10.333   7.698
  160    HZ3  LYS  22           2HZ      LYS  22  -3.494  -9.692   8.978
  161    H    ASP  23           H        ASP  23  -4.972 -11.863   1.092
  162    HA   ASP  23           HA       ASP  23  -2.691 -11.473  -0.714
  163    HB2  ASP  23           2HB      ASP  23  -3.486 -13.674  -0.656
  164    HB3  ASP  23           1HB      ASP  23  -5.169 -13.166  -0.531
  165    H    TRP  24           H        TRP  24  -5.808 -10.087  -0.239
  166    HA   TRP  24           HA       TRP  24  -6.568  -9.338  -2.866
  167    HB2  TRP  24           2HB      TRP  24  -8.196  -8.894  -1.296
  168    HB3  TRP  24           1HB      TRP  24  -7.019  -8.468  -0.056
  169    HD1  TRP  24           HD       TRP  24  -7.751  -6.128   0.665
  170    HE1  TRP  24           1HE      TRP  24  -8.133  -3.881  -0.534
  171    HE3  TRP  24           3HE      TRP  24  -7.308  -7.634  -4.178
  172    HZ2  TRP  24           2HZ      TRP  24  -8.238  -2.857  -3.204
  173    HZ3  TRP  24           3HZ      TRP  24  -7.557  -6.012  -6.036
  174    HH2  TRP  24           HH       TRP  24  -8.018  -3.624  -5.553
  175    H    CYS  25           H        CYS  25  -4.466  -7.635  -0.514
  176    HA   CYS  25           HA       CYS  25  -3.673  -5.798  -2.743
  177    HB2  CYS  25           2HB      CYS  25  -3.772  -5.594   0.261
  178    HB3  CYS  25           1HB      CYS  25  -2.836  -4.442  -0.701
  179    H    CYS  26           H        CYS  26  -2.425  -8.217  -0.513
  180    HA   CYS  26           HA       CYS  26   0.303  -7.682  -0.365
  181    HB2  CYS  26           2HB      CYS  26  -1.443 -10.054  -0.522
  182    HB3  CYS  26           1HB      CYS  26   0.212 -10.367  -1.042
  183    H    ASP  27           H        ASP  27  -1.575  -8.771  -3.150
  184    HA   ASP  27           HA       ASP  27   0.798  -8.959  -4.894
  185    HB2  ASP  27           2HB      ASP  27  -2.171  -9.421  -5.073
  186    HB3  ASP  27           1HB      ASP  27  -1.222  -9.296  -6.557
  187    H    PHE  28           H        PHE  28  -2.031  -6.837  -4.412
  188    HA   PHE  28           HA       PHE  28  -1.891  -5.089  -6.556
  189    HB2  PHE  28           2HB      PHE  28  -3.539  -4.836  -4.836
  190    HB3  PHE  28           1HB      PHE  28  -2.302  -4.625  -3.591
  191    HD1  PHE  28           1HD      PHE  28  -3.030  -3.114  -6.955
  192    HD2  PHE  28           2HD      PHE  28  -2.121  -2.444  -2.811
  193    HE1  PHE  28           1HE      PHE  28  -3.045  -0.665  -7.348
  194    HE2  PHE  28           2HE      PHE  28  -2.136   0.004  -3.202
  195    HZ   PHE  28           HZ       PHE  28  -2.597   0.894  -5.471
  196    H    VAL  29           H        VAL  29  -0.135  -4.451  -3.482
  197    HA   VAL  29           HA       VAL  29   1.501  -2.362  -4.501
  198    HB   VAL  29           HB       VAL  29   2.762  -2.718  -2.467
  199   HG11  VAL  29          1HG1      VAL  29   0.911  -1.931  -1.450
  200   HG12  VAL  29          2HG1      VAL  29   0.501  -3.604  -1.074
  201   HG13  VAL  29          3HG1      VAL  29  -0.143  -2.843  -2.530
  202   HG21  VAL  29          3HG2      VAL  29   2.362  -4.837  -1.140
  203   HG22  VAL  29          1HG2      VAL  29   3.253  -5.074  -2.643
  204   HG23  VAL  29          2HG2      VAL  29   1.542  -5.492  -2.558
  205    H    LYS  30           H        LYS  30   1.802  -5.853  -4.745
  206    HA   LYS  30           HA       LYS  30   4.597  -5.902  -5.510
  207    HB2  LYS  30           2HB      LYS  30   2.650  -7.702  -4.777
  208    HB3  LYS  30           1HB      LYS  30   2.794  -8.016  -6.507
  209    HG2  LYS  30           2HG      LYS  30   4.566  -9.310  -5.939
  210    HG3  LYS  30           1HG      LYS  30   5.429  -7.784  -5.737
  211    HD2  LYS  30           2HD      LYS  30   5.788  -8.568  -3.622
  212    HD3  LYS  30           1HD      LYS  30   4.161  -7.948  -3.336
  213    HE2  LYS  30           2HE      LYS  30   3.201 -10.063  -3.359
  214    HE3  LYS  30           1HE      LYS  30   4.450 -10.727  -4.432
  215    HZ1  LYS  30           3HZ      LYS  30   5.386  -9.677  -1.890
  216    HZ2  LYS  30           1HZ      LYS  30   5.874 -11.065  -2.733
  217    HZ3  LYS  30           2HZ      LYS  30   4.459 -11.098  -1.792
  218    H    ASP  31           H        ASP  31   1.521  -5.734  -7.288
  219    HA   ASP  31           HA       ASP  31   2.301  -6.157  -9.926
  220    HB2  ASP  31           2HB      ASP  31   0.241  -4.754  -8.446
  221    HB3  ASP  31           1HB      ASP  31   0.650  -3.861  -9.912
  222    H    ILE  32           H        ILE  32   2.564  -3.101  -8.093
  223    HA   ILE  32           HA       ILE  32   4.032  -1.763 -10.247
  224    HB   ILE  32           HB       ILE  32   4.031   0.085  -8.631
  225   HG12  ILE  32          2HG1      ILE  32   2.983  -1.984  -6.672
  226   HG13  ILE  32          1HG1      ILE  32   4.599  -1.278  -6.633
  227   HG21  ILE  32          1HG2      ILE  32   1.749  -1.272  -9.594
  228   HG22  ILE  32          2HG2      ILE  32   1.851   0.415  -9.090
  229   HG23  ILE  32          3HG2      ILE  32   1.380  -0.826  -7.929
  230   HD11  ILE  32          3HD1      ILE  32   3.850   0.708  -5.792
  231   HD12  ILE  32          1HD1      ILE  32   2.487  -0.270  -5.248
  232   HD13  ILE  32          2HD1      ILE  32   2.364   0.663  -6.740
  233    H    ARG  33           H        ARG  33   4.966  -4.172  -8.256
  234    HA   ARG  33           HA       ARG  33   7.092  -4.944  -7.567
  235    HB2  ARG  33           2HB      ARG  33   7.372  -3.407  -9.880
  236    HB3  ARG  33           1HB      ARG  33   8.594  -2.757  -8.788
  237    HG2  ARG  33           2HG      ARG  33   9.347  -5.131  -8.355
  238    HG3  ARG  33           1HG      ARG  33   8.261  -5.643  -9.649
  239    HD2  ARG  33           2HD      ARG  33  10.636  -3.772  -9.887
  240    HD3  ARG  33           1HD      ARG  33  10.413  -5.341 -10.687
  241    HE   ARG  33           HE       ARG  33   8.213  -4.046 -11.558
  242   HH11  ARG  33          1HH2      ARG  33  11.511  -3.029 -11.294
  243   HH12  ARG  33          2HH2      ARG  33  11.382  -1.869 -12.572
  244   HH21  ARG  33          1HH1      ARG  33   8.048  -2.551 -13.223
  245   HH22  ARG  33          2HH1      ARG  33   9.428  -1.601 -13.665
  246    H    MET  34           H        MET  34   6.406  -4.174  -5.365
  247    HA   MET  34           HA       MET  34   8.202  -1.973  -4.425
  248    HB2  MET  34           2HB      MET  34   5.238  -2.253  -4.303
  249    HB3  MET  34           1HB      MET  34   6.030  -1.612  -2.863
  250    HG2  MET  34           2HG      MET  34   6.867  -0.499  -5.505
  251    HG3  MET  34           1HG      MET  34   5.291  -0.015  -4.873
  252    HE1  MET  34           3HE      MET  34   8.104   1.138  -5.612
  253    HE2  MET  34           1HE      MET  34   9.287   0.635  -4.395
  254    HE3  MET  34           2HE      MET  34   8.678   2.288  -4.406
  255    H    ASN  35           H        ASN  35   7.891  -2.039  -1.792
  256    HA   ASN  35           HA       ASN  35   8.322  -4.909  -1.031
  257    HB2  ASN  35           2HB      ASN  35  10.307  -3.514  -0.859
  258    HB3  ASN  35           1HB      ASN  35   9.417  -2.294   0.052
  259   HD21  ASN  35          1HD2      ASN  35  10.077  -5.845   0.260
  260   HD22  ASN  35          2HD2      ASN  35  10.286  -5.849   1.952
  261    HA   PRO  36           HA       PRO  36   4.662  -3.989   1.412
  262    HB2  PRO  36           2HB      PRO  36   4.077  -6.597   1.976
  263    HB3  PRO  36           1HB      PRO  36   3.662  -5.829   0.430
  264    HG2  PRO  36           2HG      PRO  36   5.847  -7.718   1.075
  265    HG3  PRO  36           1HG      PRO  36   4.932  -7.514  -0.425
  266    HD2  PRO  36           2HD      PRO  36   7.501  -6.565   0.039
  267    HD3  PRO  36           1HD      PRO  36   6.409  -6.003  -1.244
  268    HA   PRO  37           HA       PRO  37   6.389  -4.407   5.437
  269    HB2  PRO  37           2HB      PRO  37   4.133  -4.495   6.982
  270    HB3  PRO  37           1HB      PRO  37   4.688  -3.017   6.173
  271    HG2  PRO  37           2HG      PRO  37   2.487  -4.856   5.444
  272    HG3  PRO  37           1HG      PRO  37   2.628  -3.109   5.209
  273    HD2  PRO  37           2HD      PRO  37   3.017  -5.039   3.253
  274    HD3  PRO  37           1HD      PRO  37   3.584  -3.355   3.168
  275    H    ALA  38           H        ALA  38   6.603  -5.958   7.259
  276    HA   ALA  38           HA       ALA  38   6.156  -8.726   6.398
  277    HB1  ALA  38           1HB      ALA  38   8.195  -7.766   7.581
  278    HB2  ALA  38           2HB      ALA  38   7.536  -9.229   8.313
  279    HB3  ALA  38           3HB      ALA  38   7.201  -7.655   9.035
  280    H    ASP  39           H        ASP  39   4.765  -6.476   8.739
  281    HA   ASP  39           HA       ASP  39   3.290  -8.326  10.332
  282    HB2  ASP  39           2HB      ASP  39   2.526  -5.510   9.496
  283    HB3  ASP  39           1HB      ASP  39   2.062  -6.336  10.986
  284    H    LYS  40           H        LYS  40   2.821  -7.227   7.066
  285    HA   LYS  40           HA       LYS  40   0.073  -8.429   7.041
  286    HB2  LYS  40           2HB      LYS  40   1.146  -5.950   6.156
  287    HB3  LYS  40           1HB      LYS  40   0.736  -6.870   4.707
  288    HG2  LYS  40           2HG      LYS  40  -1.217  -5.600   5.396
  289    HG3  LYS  40           1HG      LYS  40  -1.527  -7.311   5.689
  290    HD2  LYS  40           2HD      LYS  40  -2.153  -6.543   7.754
  291    HD3  LYS  40           1HD      LYS  40  -0.419  -6.643   8.063
  292    HE2  LYS  40           2HE      LYS  40  -0.586  -4.165   6.908
  293    HE3  LYS  40           1HE      LYS  40  -2.131  -4.249   7.777
  294    HZ1  LYS  40           3HZ      LYS  40  -0.020  -3.532   9.058
  295    HZ2  LYS  40           1HZ      LYS  40   0.344  -5.189   9.068
  296    HZ3  LYS  40           2HZ      LYS  40  -1.092  -4.631   9.784
  297    H    CYS  41           H        CYS  41   2.847  -7.926   4.818
  298    HA   CYS  41           HA       CYS  41   2.323 -10.675   3.729
  299    HB2  CYS  41           2HB      CYS  41   2.265  -8.184   2.488
  300    HB3  CYS  41           1HB      CYS  41   3.855  -8.822   2.056
  301    HA   PRO  42           HA       PRO  42   6.393 -11.534   5.223
  302    HB2  PRO  42           2HB      PRO  42   6.720 -13.947   3.973
  303    HB3  PRO  42           1HB      PRO  42   5.695 -13.731   5.406
  304    HG2  PRO  42           2HG      PRO  42   4.925 -13.953   2.544
  305    HG3  PRO  42           1HG      PRO  42   4.108 -14.577   3.986
  306    HD2  PRO  42           2HD      PRO  42   3.331 -12.322   2.632
  307    HD3  PRO  42           1HD      PRO  42   2.989 -12.623   4.352
  Start of MODEL   12
    1    H1   ILE   1           H        ILE   1  -4.076  10.257   4.707
    2    HA   ILE   1           HA       ILE   1  -2.189  11.829   2.979
    3    HB   ILE   1           HB       ILE   1  -0.496  10.290   4.326
    4   HG12  ILE   1          2HG1      ILE   1  -2.722  10.605   6.354
    5   HG13  ILE   1          1HG1      ILE   1  -2.472   9.111   5.451
    6   HG21  ILE   1          1HG2      ILE   1   0.050  12.371   4.972
    7   HG22  ILE   1          2HG2      ILE   1  -1.159  12.249   6.251
    8   HG23  ILE   1          3HG2      ILE   1  -1.598  12.932   4.685
    9   HD11  ILE   1          3HD1      ILE   1  -1.262   9.658   7.831
   10   HD12  ILE   1          1HD1      ILE   1  -0.041  10.243   6.701
   11   HD13  ILE   1          2HD1      ILE   1  -0.589   8.568   6.617
   12    HA   PRO   2           HA       PRO   2  -3.120   7.703   1.057
   13    HB2  PRO   2           2HB      PRO   2  -4.195   8.639  -1.271
   14    HB3  PRO   2           1HB      PRO   2  -5.166   8.351   0.188
   15    HG2  PRO   2           2HG      PRO   2  -4.182  10.900  -0.954
   16    HG3  PRO   2           1HG      PRO   2  -5.671  10.560  -0.062
   17    HD2  PRO   2           2HD      PRO   2  -3.402  11.768   0.990
   18    HD3  PRO   2           1HD      PRO   2  -4.702  11.009   1.937
   19    H    TYR   3           H        TYR   3  -0.623   9.118   1.170
   20    HA   TYR   3           HA       TYR   3   0.287   8.960  -1.681
   21    HB2  TYR   3           2HB      TYR   3   0.739  11.151  -1.210
   22    HB3  TYR   3           1HB      TYR   3   0.639  10.890   0.530
   23    HD1  TYR   3           2HD      TYR   3   2.864   9.959  -2.360
   24    HD2  TYR   3           1HD      TYR   3   2.591  11.132   1.763
   25    HE1  TYR   3           2HE      TYR   3   5.340  10.015  -2.211
   26    HE2  TYR   3           1HE      TYR   3   5.065  11.191   1.911
   27    HH   TYR   3           HH       TYR   3   6.991  10.294   0.802
   28    H    CYS   4           H        CYS   4   1.654   7.262  -2.034
   29    HA   CYS   4           HA       CYS   4   2.863   5.863   0.285
   30    HB2  CYS   4           2HB      CYS   4   2.607   5.214  -2.673
   31    HB3  CYS   4           1HB      CYS   4   3.178   4.094  -1.437
   32    H    GLY   5           H        GLY   5   4.878   4.784  -1.759
   33    HA2  GLY   5           2HA      GLY   5   6.711   6.007  -3.019
   34    HA3  GLY   5           1HA      GLY   5   6.712   7.140  -1.667
   35    H    GLN   6           H        GLN   6   6.860   5.716   0.564
   36    HA   GLN   6           HA       GLN   6   9.519   4.845   0.777
   37    HB2  GLN   6           2HB      GLN   6   7.110   4.954   2.351
   38    HB3  GLN   6           1HB      GLN   6   7.960   3.441   2.683
   39    HG2  GLN   6           2HG      GLN   6   9.771   4.505   3.603
   40    HG3  GLN   6           1HG      GLN   6   9.632   5.896   2.527
   41   HE21  GLN   6          1HE2      GLN   6   7.119   4.495   4.684
   42   HE22  GLN   6          2HE2      GLN   6   6.909   5.912   5.609
   43    H    THR   7           H        THR   7   6.909   2.495   1.312
   44    HA   THR   7           HA       THR   7   8.190   0.609  -0.613
   45    HB   THR   7           HB       THR   7   8.207  -1.087   1.267
   46    HG1  THR   7           1HG      THR   7   7.842   1.200   2.886
   47   HG21  THR   7          3HG2      THR   7   9.826   1.400   1.847
   48   HG22  THR   7          1HG2      THR   7  10.217   0.249   0.569
   49   HG23  THR   7          2HG2      THR   7  10.249  -0.262   2.257
   50    H    GLY   8           H        GLY   8   6.617  -1.612   0.622
   51    HA2  GLY   8           2HA      GLY   8   4.129  -1.158  -0.804
   52    HA3  GLY   8           1HA      GLY   8   4.535  -2.602   0.133
   53    H    ALA   9           H        ALA   9   5.086  -1.387   2.619
   54    HA   ALA   9           HA       ALA   9   2.612  -1.279   3.907
   55    HB1  ALA   9           1HB      ALA   9   3.870  -0.517   5.739
   56    HB2  ALA   9           2HB      ALA   9   4.892   0.505   4.728
   57    HB3  ALA   9           3HB      ALA   9   5.113  -1.244   4.721
   58    H    GLU  10           H        GLU  10   4.241   1.215   2.055
   59    HA   GLU  10           HA       GLU  10   2.818   3.521   2.952
   60    HB2  GLU  10           2HB      GLU  10   4.308   2.621   0.519
   61    HB3  GLU  10           1HB      GLU  10   3.335   4.075   0.377
   62    HG2  GLU  10           2HG      GLU  10   5.868   4.204   1.149
   63    HG3  GLU  10           1HG      GLU  10   4.654   5.281   1.843
   64    H    CYS  11           H        CYS  11   2.196   1.494   0.063
   65    HA   CYS  11           HA       CYS  11  -0.529   2.636  -0.176
   66    HB2  CYS  11           2HB      CYS  11   1.440   1.149  -1.832
   67    HB3  CYS  11           1HB      CYS  11  -0.258   0.838  -2.193
   68    H    TYR  12           H        TYR  12   1.001  -0.120   1.186
   69    HA   TYR  12           HA       TYR  12  -0.882  -2.182   0.770
   70    HB2  TYR  12           2HB      TYR  12   1.158  -2.738   1.792
   71    HB3  TYR  12           1HB      TYR  12   1.043  -1.411   2.949
   72    HD1  TYR  12           1HD      TYR  12  -0.496  -4.690   2.011
   73    HD2  TYR  12           2HD      TYR  12   0.068  -1.737   5.082
   74    HE1  TYR  12           1HE      TYR  12  -1.515  -6.220   3.670
   75    HE2  TYR  12           2HE      TYR  12  -0.955  -3.270   6.740
   76    HH   TYR  12           HH       TYR  12  -1.171  -6.244   6.602
   77    H    SER  13           H        SER  13  -0.717  -0.000   3.623
   78    HA   SER  13           HA       SER  13  -3.093  -0.764   4.895
   79    HB2  SER  13           2HB      SER  13  -2.959   1.967   5.269
   80    HB3  SER  13           1HB      SER  13  -2.007   0.784   6.161
   81    HG   SER  13           HG       SER  13  -1.302   2.346   3.920
   82    H    TRP  14           H        TRP  14  -2.736   0.944   1.881
   83    HA   TRP  14           HA       TRP  14  -5.383   2.173   1.893
   84    HB2  TRP  14           2HB      TRP  14  -3.384   3.013   0.661
   85    HB3  TRP  14           1HB      TRP  14  -3.448   1.577  -0.368
   86    HD1  TRP  14           HD       TRP  14  -5.578   4.642   0.576
   87    HE1  TRP  14           1HE      TRP  14  -7.147   5.180  -1.396
   88    HE3  TRP  14           3HE      TRP  14  -4.513   0.706  -2.502
   89    HZ2  TRP  14           2HZ      TRP  14  -7.858   4.090  -3.939
   90    HZ3  TRP  14           3HZ      TRP  14  -5.652   0.482  -4.693
   91    HH2  TRP  14           HH       TRP  14  -7.321   2.167  -5.414
   92    H    CYS  15           H        CYS  15  -4.009  -0.858   0.663
   93    HA   CYS  15           HA       CYS  15  -6.505  -1.515  -0.752
   94    HB2  CYS  15           2HB      CYS  15  -5.074  -3.879  -0.652
   95    HB3  CYS  15           1HB      CYS  15  -4.993  -2.698  -1.942
   96    H    ILE  16           H        ILE  16  -4.811  -2.778   2.138
   97    HA   ILE  16           HA       ILE  16  -6.642  -4.766   2.904
   98    HB   ILE  16           HB       ILE  16  -5.155  -2.731   4.597
   99   HG12  ILE  16          2HG1      ILE  16  -4.040  -4.408   2.825
  100   HG13  ILE  16          1HG1      ILE  16  -3.269  -4.029   4.358
  101   HG21  ILE  16          1HG2      ILE  16  -6.252  -5.464   5.321
  102   HG22  ILE  16          2HG2      ILE  16  -6.915  -3.919   5.859
  103   HG23  ILE  16          3HG2      ILE  16  -5.306  -4.419   6.382
  104   HD11  ILE  16          3HD1      ILE  16  -5.212  -6.293   4.336
  105   HD12  ILE  16          1HD1      ILE  16  -3.710  -6.108   5.244
  106   HD13  ILE  16          2HD1      ILE  16  -3.660  -6.558   3.540
  107    H    LYS  17           H        LYS  17  -7.036  -1.318   2.840
  108    HA   LYS  17           HA       LYS  17  -9.170  -1.019   4.738
  109    HB2  LYS  17           2HB      LYS  17  -8.037   0.925   4.054
  110    HB3  LYS  17           1HB      LYS  17  -8.072   0.462   2.355
  111    HG2  LYS  17           2HG      LYS  17 -10.609   0.753   2.467
  112    HG3  LYS  17           1HG      LYS  17 -10.355   1.516   4.036
  113    HD2  LYS  17           2HD      LYS  17  -8.667   3.037   2.841
  114    HD3  LYS  17           1HD      LYS  17  -9.356   2.428   1.335
  115    HE2  LYS  17           2HE      LYS  17 -10.570   4.440   1.847
  116    HE3  LYS  17           1HE      LYS  17 -11.649   3.107   2.298
  117    HZ1  LYS  17           3HZ      LYS  17 -11.652   4.047   4.316
  118    HZ2  LYS  17           1HZ      LYS  17 -10.299   5.012   3.985
  119    HZ3  LYS  17           2HZ      LYS  17 -10.090   3.405   4.493
  120    H    GLN  18           H        GLN  18  -9.077  -2.044   1.368
  121    HA   GLN  18           HA       GLN  18 -11.879  -1.726   0.792
  122    HB2  GLN  18           2HB      GLN  18  -9.882  -3.707  -0.342
  123    HB3  GLN  18           1HB      GLN  18 -11.312  -3.065  -1.151
  124    HG2  GLN  18           2HG      GLN  18  -8.769  -1.602  -0.417
  125    HG3  GLN  18           1HG      GLN  18  -9.495  -1.793  -2.015
  126   HE21  GLN  18          1HE2      GLN  18  -8.885   0.704  -0.268
  127   HE22  GLN  18          2HE2      GLN  18 -10.351   1.561  -0.275
  128    H    ASP  19           H        ASP  19 -10.073  -4.111   2.576
  129    HA   ASP  19           HA       ASP  19 -10.850  -5.945   3.859
  130    HB2  ASP  19           2HB      ASP  19 -12.842  -4.102   3.841
  131    HB3  ASP  19           1HB      ASP  19 -13.667  -5.450   3.050
  132    H    LEU  20           H        LEU  20 -10.047  -6.426   1.140
  133    HA   LEU  20           HA       LEU  20 -12.104  -8.267   0.029
  134    HB2  LEU  20           2HB      LEU  20  -9.345  -7.768  -1.078
  135    HB3  LEU  20           1HB      LEU  20 -10.825  -8.146  -1.952
  136    HG   LEU  20           HG       LEU  20 -10.020  -5.534  -0.676
  137   HD11  LEU  20          1HD1      LEU  20 -10.897  -4.809  -3.023
  138   HD12  LEU  20          2HD1      LEU  20 -10.739  -6.519  -3.428
  139   HD13  LEU  20          3HD1      LEU  20  -9.323  -5.599  -2.916
  140   HD21  LEU  20          3HD2      LEU  20 -12.753  -6.624  -1.274
  141   HD22  LEU  20          1HD2      LEU  20 -12.443  -4.908  -1.542
  142   HD23  LEU  20          2HD2      LEU  20 -12.230  -5.603   0.065
  143    H    SER  21           H        SER  21  -8.727  -8.328   1.163
  144    HA   SER  21           HA       SER  21  -8.886 -10.841   2.482
  145    HB2  SER  21           2HB      SER  21  -9.246 -12.010   0.507
  146    HB3  SER  21           1HB      SER  21  -8.384 -10.823  -0.469
  147    HG   SER  21           HG       SER  21  -7.355 -12.970   0.005
  148    H    LYS  22           H        LYS  22  -7.047 -10.923   3.746
  149    HA   LYS  22           HA       LYS  22  -5.083  -8.951   3.837
  150    HB2  LYS  22           2HB      LYS  22  -3.890 -10.503   5.247
  151    HB3  LYS  22           1HB      LYS  22  -5.607 -10.828   5.473
  152    HG2  LYS  22           2HG      LYS  22  -4.123 -12.352   3.354
  153    HG3  LYS  22           1HG      LYS  22  -3.910 -12.813   5.038
  154    HD2  LYS  22           2HD      LYS  22  -6.594 -12.594   4.996
  155    HD3  LYS  22           1HD      LYS  22  -6.316 -13.032   3.308
  156    HE2  LYS  22           2HE      LYS  22  -4.675 -14.659   5.082
  157    HE3  LYS  22           1HE      LYS  22  -6.399 -14.814   5.473
  158    HZ1  LYS  22           3HZ      LYS  22  -6.886 -15.198   3.159
  159    HZ2  LYS  22           1HZ      LYS  22  -5.717 -16.317   3.666
  160    HZ3  LYS  22           2HZ      LYS  22  -5.257 -14.973   2.733
  161    H    ASP  23           H        ASP  23  -5.286 -11.671   1.649
  162    HA   ASP  23           HA       ASP  23  -2.506 -11.345   0.703
  163    HB2  ASP  23           2HB      ASP  23  -4.011 -13.493   0.981
  164    HB3  ASP  23           1HB      ASP  23  -4.644 -13.016  -0.595
  165    H    TRP  24           H        TRP  24  -5.622 -10.082   0.033
  166    HA   TRP  24           HA       TRP  24  -5.356  -9.593  -2.794
  167    HB2  TRP  24           2HB      TRP  24  -7.508  -8.995  -2.420
  168    HB3  TRP  24           1HB      TRP  24  -7.237  -9.297  -0.705
  169    HD1  TRP  24           HD       TRP  24  -7.238  -7.260   0.879
  170    HE1  TRP  24           1HE      TRP  24  -7.493  -4.717   0.555
  171    HE3  TRP  24           3HE      TRP  24  -6.907  -6.991  -4.196
  172    HZ2  TRP  24           2HZ      TRP  24  -7.547  -2.817  -1.585
  173    HZ3  TRP  24           3HZ      TRP  24  -7.061  -4.807  -5.360
  174    HH2  TRP  24           HH       TRP  24  -7.381  -2.721  -4.060
  175    H    CYS  25           H        CYS  25  -4.876  -7.444   0.048
  176    HA   CYS  25           HA       CYS  25  -3.859  -5.224  -1.485
  177    HB2  CYS  25           2HB      CYS  25  -4.759  -4.973   0.761
  178    HB3  CYS  25           1HB      CYS  25  -3.558  -6.090   1.406
  179    H    CYS  26           H        CYS  26  -2.140  -7.622   0.560
  180    HA   CYS  26           HA       CYS  26   0.497  -6.883   0.176
  181    HB2  CYS  26           2HB      CYS  26  -0.714  -9.666   0.079
  182    HB3  CYS  26           1HB      CYS  26   0.973  -9.307   0.449
  183    H    ASP  27           H        ASP  27  -1.627  -8.463  -2.175
  184    HA   ASP  27           HA       ASP  27   0.553  -8.899  -4.104
  185    HB2  ASP  27           2HB      ASP  27  -1.846 -10.076  -3.579
  186    HB3  ASP  27           1HB      ASP  27  -2.299  -9.022  -4.920
  187    H    PHE  28           H        PHE  28  -2.341  -6.801  -3.890
  188    HA   PHE  28           HA       PHE  28  -2.109  -5.393  -6.300
  189    HB2  PHE  28           2HB      PHE  28  -4.003  -4.867  -5.090
  190    HB3  PHE  28           1HB      PHE  28  -3.151  -4.910  -3.547
  191    HD1  PHE  28           2HD      PHE  28  -1.912  -2.962  -2.732
  192    HD2  PHE  28           1HD      PHE  28  -4.060  -2.836  -6.448
  193    HE1  PHE  28           2HE      PHE  28  -1.735  -0.489  -2.748
  194    HE2  PHE  28           1HE      PHE  28  -3.881  -0.361  -6.466
  195    HZ   PHE  28           HZ       PHE  28  -2.720   0.811  -4.616
  196    H    VAL  29           H        VAL  29  -0.703  -4.364  -3.154
  197    HA   VAL  29           HA       VAL  29   0.817  -2.192  -4.211
  198    HB   VAL  29           HB       VAL  29   0.204  -2.583  -1.834
  199   HG11  VAL  29          1HG1      VAL  29   2.354  -4.722  -1.936
  200   HG12  VAL  29          2HG1      VAL  29   0.621  -5.048  -1.877
  201   HG13  VAL  29          3HG1      VAL  29   1.414  -4.244  -0.520
  202   HG21  VAL  29          3HG2      VAL  29   3.201  -2.466  -2.313
  203   HG22  VAL  29          1HG2      VAL  29   2.357  -1.891  -0.874
  204   HG23  VAL  29          2HG2      VAL  29   2.101  -1.091  -2.425
  205    H    LYS  30           H        LYS  30   1.440  -5.638  -4.129
  206    HA   LYS  30           HA       LYS  30   4.307  -5.516  -4.511
  207    HB2  LYS  30           2HB      LYS  30   2.365  -7.408  -3.964
  208    HB3  LYS  30           1HB      LYS  30   2.841  -7.820  -5.610
  209    HG2  LYS  30           2HG      LYS  30   5.024  -8.318  -5.004
  210    HG3  LYS  30           1HG      LYS  30   4.991  -7.242  -3.606
  211    HD2  LYS  30           2HD      LYS  30   4.973  -9.606  -2.897
  212    HD3  LYS  30           1HD      LYS  30   3.473  -8.800  -2.439
  213    HE2  LYS  30           2HE      LYS  30   2.342 -10.413  -3.561
  214    HE3  LYS  30           1HE      LYS  30   3.067  -9.812  -5.064
  215    HZ1  LYS  30           3HZ      LYS  30   4.470 -11.629  -3.182
  216    HZ2  LYS  30           1HZ      LYS  30   4.966 -11.179  -4.740
  217    HZ3  LYS  30           2HZ      LYS  30   3.607 -12.179  -4.538
  218    H    ASP  31           H        ASP  31   1.535  -5.302  -6.661
  219    HA   ASP  31           HA       ASP  31   3.079  -5.811  -9.099
  220    HB2  ASP  31           2HB      ASP  31   0.298  -5.235  -8.253
  221    HB3  ASP  31           1HB      ASP  31   0.719  -4.699  -9.880
  222    H    ILE  32           H        ILE  32   2.386  -3.022  -7.123
  223    HA   ILE  32           HA       ILE  32   2.871  -1.109  -9.322
  224    HB   ILE  32           HB       ILE  32   2.461   0.535  -7.507
  225   HG12  ILE  32          2HG1      ILE  32   1.909  -1.760  -5.648
  226   HG13  ILE  32          1HG1      ILE  32   3.557  -1.149  -5.801
  227   HG21  ILE  32          1HG2      ILE  32   0.674  -1.468  -8.488
  228   HG22  ILE  32          2HG2      ILE  32   0.291   0.175  -7.973
  229   HG23  ILE  32          3HG2      ILE  32   0.258  -1.145  -6.804
  230   HD11  ILE  32          3HD1      ILE  32   1.362   0.844  -5.427
  231   HD12  ILE  32          1HD1      ILE  32   3.034   0.900  -4.870
  232   HD13  ILE  32          2HD1      ILE  32   1.858  -0.108  -4.028
  233    H    ARG  33           H        ARG  33   5.085  -2.934  -8.629
  234    HA   ARG  33           HA       ARG  33   7.418  -2.807  -8.240
  235    HB2  ARG  33           2HB      ARG  33   6.503  -0.073  -9.083
  236    HB3  ARG  33           1HB      ARG  33   8.185  -0.303  -8.606
  237    HG2  ARG  33           2HG      ARG  33   8.648  -1.697 -10.396
  238    HG3  ARG  33           1HG      ARG  33   6.980  -2.256 -10.525
  239    HD2  ARG  33           2HD      ARG  33   7.371   0.644 -11.022
  240    HD3  ARG  33           1HD      ARG  33   8.061  -0.443 -12.244
  241    HE   ARG  33           HE       ARG  33   5.213  -0.120 -11.660
  242   HH11  ARG  33          1HH2      ARG  33   7.723  -2.184 -12.828
  243   HH12  ARG  33          2HH2      ARG  33   6.657  -3.142 -13.799
  244   HH21  ARG  33          1HH1      ARG  33   3.818  -1.361 -12.922
  245   HH22  ARG  33          2HH1      ARG  33   4.449  -2.677 -13.855
  246    H    MET  34           H        MET  34   6.005  -2.927  -5.847
  247    HA   MET  34           HA       MET  34   7.598  -1.070  -4.120
  248    HB2  MET  34           2HB      MET  34   4.656  -1.504  -4.341
  249    HB3  MET  34           1HB      MET  34   5.308  -1.283  -2.718
  250    HG2  MET  34           2HG      MET  34   5.896   0.593  -5.023
  251    HG3  MET  34           1HG      MET  34   4.603   0.861  -3.850
  252    HE1  MET  34           3HE      MET  34   5.418   2.912  -3.717
  253    HE2  MET  34           1HE      MET  34   7.116   3.387  -3.576
  254    HE3  MET  34           2HE      MET  34   6.098   3.317  -2.142
  255    H    ASN  35           H        ASN  35   8.745  -2.255  -2.649
  256    HA   ASN  35           HA       ASN  35   8.318  -5.120  -2.339
  257    HB2  ASN  35           2HB      ASN  35  10.519  -3.932  -2.301
  258    HB3  ASN  35           1HB      ASN  35  10.043  -3.158  -0.790
  259   HD21  ASN  35          1HD2      ASN  35  10.290  -6.478  -2.196
  260   HD22  ASN  35          2HD2      ASN  35  10.813  -7.207  -0.746
  261    HA   PRO  36           HA       PRO  36   5.299  -4.304   0.901
  262    HB2  PRO  36           2HB      PRO  36   4.402  -6.876   1.057
  263    HB3  PRO  36           1HB      PRO  36   3.862  -5.741  -0.197
  264    HG2  PRO  36           2HG      PRO  36   5.851  -7.943  -0.368
  265    HG3  PRO  36           1HG      PRO  36   4.676  -7.387  -1.569
  266    HD2  PRO  36           2HD      PRO  36   7.346  -6.774  -1.637
  267    HD3  PRO  36           1HD      PRO  36   6.075  -5.779  -2.378
  268    HA   PRO  37           HA       PRO  37   7.760  -5.721   4.270
  269    HB2  PRO  37           2HB      PRO  37   5.996  -5.211   6.297
  270    HB3  PRO  37           1HB      PRO  37   6.895  -3.932   5.457
  271    HG2  PRO  37           2HG      PRO  37   4.074  -4.794   5.119
  272    HG3  PRO  37           1HG      PRO  37   4.776  -3.174   5.037
  273    HD2  PRO  37           2HD      PRO  37   4.081  -4.676   2.845
  274    HD3  PRO  37           1HD      PRO  37   5.300  -3.380   2.828
  275    H    ALA  38           H        ALA  38   7.657  -7.400   6.030
  276    HA   ALA  38           HA       ALA  38   6.037  -9.715   5.151
  277    HB1  ALA  38           1HB      ALA  38   7.639 -10.335   7.387
  278    HB2  ALA  38           2HB      ALA  38   8.565  -9.157   6.457
  279    HB3  ALA  38           3HB      ALA  38   8.022 -10.652   5.694
  280    H    ASP  39           H        ASP  39   6.893  -8.551   8.421
  281    HA   ASP  39           HA       ASP  39   4.934  -9.720   9.944
  282    HB2  ASP  39           2HB      ASP  39   5.150  -7.714  11.398
  283    HB3  ASP  39           1HB      ASP  39   6.713  -8.237  10.768
  284    H    LYS  40           H        LYS  40   4.485  -6.697   8.069
  285    HA   LYS  40           HA       LYS  40   1.744  -6.286   8.857
  286    HB2  LYS  40           2HB      LYS  40   3.677  -4.875   7.578
  287    HB3  LYS  40           1HB      LYS  40   2.696  -5.372   6.198
  288    HG2  LYS  40           2HG      LYS  40   1.449  -3.542   6.721
  289    HG3  LYS  40           1HG      LYS  40   0.757  -4.595   7.957
  290    HD2  LYS  40           2HD      LYS  40   1.401  -2.708   9.195
  291    HD3  LYS  40           1HD      LYS  40   2.768  -3.801   9.417
  292    HE2  LYS  40           2HE      LYS  40   4.181  -2.510   8.134
  293    HE3  LYS  40           1HE      LYS  40   2.880  -1.992   7.045
  294    HZ1  LYS  40           3HZ      LYS  40   2.749  -0.136   8.240
  295    HZ2  LYS  40           1HZ      LYS  40   3.842  -0.719   9.398
  296    HZ3  LYS  40           2HZ      LYS  40   2.184  -1.060   9.549
  297    H    CYS  41           H        CYS  41   3.227  -7.867   6.017
  298    HA   CYS  41           HA       CYS  41   0.517  -8.815   5.180
  299    HB2  CYS  41           2HB      CYS  41   3.098  -8.129   3.884
  300    HB3  CYS  41           1HB      CYS  41   2.238  -9.505   3.183
  301    HA   PRO  42           HA       PRO  42   2.322 -12.550   7.120
  302    HB2  PRO  42           2HB      PRO  42  -0.094 -13.594   7.871
  303    HB3  PRO  42           1HB      PRO  42   0.791 -12.404   8.846
  304    HG2  PRO  42           2HG      PRO  42  -1.519 -12.003   7.012
  305    HG3  PRO  42           1HG      PRO  42  -1.176 -11.250   8.577
  306    HD2  PRO  42           2HD      PRO  42  -0.748 -10.004   6.192
  307    HD3  PRO  42           1HD      PRO  42   0.192  -9.658   7.663
  Start of MODEL   13
    1    H1   ILE   1           H        ILE   1   1.056   8.033 -13.528
    2    HA   ILE   1           HA       ILE   1  -0.129   6.937 -11.155
    3    HB   ILE   1           HB       ILE   1   2.177   5.925 -12.847
    4   HG12  ILE   1          2HG1      ILE   1  -0.581   4.974 -13.341
    5   HG13  ILE   1          1HG1      ILE   1  -0.285   6.656 -13.785
    6   HG21  ILE   1          1HG2      ILE   1   1.457   3.723 -12.125
    7   HG22  ILE   1          2HG2      ILE   1   0.074   4.410 -11.274
    8   HG23  ILE   1          3HG2      ILE   1   1.710   4.717 -10.691
    9   HD11  ILE   1          3HD1      ILE   1   0.184   4.998 -15.631
   10   HD12  ILE   1          1HD1      ILE   1   1.498   4.363 -14.642
   11   HD13  ILE   1          2HD1      ILE   1   1.553   6.030 -15.217
   12    HA   PRO   2           HA       PRO   2   3.170   8.476  -8.519
   13    HB2  PRO   2           2HB      PRO   2   1.839   8.036  -6.172
   14    HB3  PRO   2           1HB      PRO   2   1.536   9.447  -7.206
   15    HG2  PRO   2           2HG      PRO   2  -0.060   6.976  -6.865
   16    HG3  PRO   2           1HG      PRO   2  -0.590   8.628  -7.209
   17    HD2  PRO   2           2HD      PRO   2  -0.393   6.581  -9.073
   18    HD3  PRO   2           1HD      PRO   2  -0.463   8.316  -9.453
   19    H    TYR   3           H        TYR   3   3.957   7.348  -6.237
   20    HA   TYR   3           HA       TYR   3   4.187   4.413  -6.830
   21    HB2  TYR   3           2HB      TYR   3   6.444   4.884  -5.492
   22    HB3  TYR   3           1HB      TYR   3   6.330   5.215  -7.221
   23    HD1  TYR   3           2HD      TYR   3   5.467   6.932  -3.984
   24    HD2  TYR   3           1HD      TYR   3   7.127   7.269  -7.929
   25    HE1  TYR   3           2HE      TYR   3   5.967   9.326  -3.568
   26    HE2  TYR   3           1HE      TYR   3   7.628   9.661  -7.516
   27    HH   TYR   3           HH       TYR   3   7.109  11.436  -6.134
   28    H    CYS   4           H        CYS   4   2.127   5.500  -5.146
   29    HA   CYS   4           HA       CYS   4   1.257   5.312  -2.948
   30    HB2  CYS   4           2HB      CYS   4   2.760   2.941  -3.776
   31    HB3  CYS   4           1HB      CYS   4   2.638   3.076  -2.022
   32    H    GLY   5           H        GLY   5   2.216   7.207  -1.974
   33    HA2  GLY   5           2HA      GLY   5   3.731   8.396  -0.607
   34    HA3  GLY   5           1HA      GLY   5   3.651   6.924   0.368
   35    H    GLN   6           H        GLN   6   5.519   5.769   0.588
   36    HA   GLN   6           HA       GLN   6   7.681   6.208  -1.440
   37    HB2  GLN   6           2HB      GLN   6   9.255   6.365   0.478
   38    HB3  GLN   6           1HB      GLN   6   8.024   7.632   0.535
   39    HG2  GLN   6           2HG      GLN   6   6.757   6.428   2.196
   40    HG3  GLN   6           1HG      GLN   6   7.779   5.001   2.018
   41   HE21  GLN   6          1HE2      GLN   6  10.134   5.291   2.670
   42   HE22  GLN   6          2HE2      GLN   6  10.498   6.405   3.909
   43    H    THR   7           H        THR   7   5.856   3.974   0.418
   44    HA   THR   7           HA       THR   7   7.551   1.752  -0.574
   45    HB   THR   7           HB       THR   7   7.607   0.819   1.782
   46    HG1  THR   7           1HG      THR   7   7.190   3.379   2.756
   47   HG21  THR   7          3HG2      THR   7   9.520   2.041   0.724
   48   HG22  THR   7          1HG2      THR   7   9.475   2.205   2.479
   49   HG23  THR   7          2HG2      THR   7   8.921   3.530   1.454
   50    H    GLY   8           H        GLY   8   6.330  -0.123  -0.917
   51    HA2  GLY   8           2HA      GLY   8   3.511   0.043  -1.144
   52    HA3  GLY   8           1HA      GLY   8   4.417  -1.472  -1.106
   53    H    ALA   9           H        ALA   9   5.520  -0.695   1.609
   54    HA   ALA   9           HA       ALA   9   3.580  -2.071   3.220
   55    HB1  ALA   9           1HB      ALA   9   5.861  -2.173   3.849
   56    HB2  ALA   9           2HB      ALA   9   5.143  -1.109   5.058
   57    HB3  ALA   9           3HB      ALA   9   6.063  -0.427   3.717
   58    H    GLU  10           H        GLU  10   4.563   1.386   3.187
   59    HA   GLU  10           HA       GLU  10   2.661   2.293   5.099
   60    HB2  GLU  10           2HB      GLU  10   3.328   4.442   4.346
   61    HB3  GLU  10           1HB      GLU  10   4.720   3.418   3.996
   62    HG2  GLU  10           2HG      GLU  10   4.549   4.326   1.911
   63    HG3  GLU  10           1HG      GLU  10   3.282   3.116   1.700
   64    H    CYS  11           H        CYS  11   2.321   1.507   1.694
   65    HA   CYS  11           HA       CYS  11  -0.308   2.811   1.441
   66    HB2  CYS  11           2HB      CYS  11   1.762   2.039  -0.248
   67    HB3  CYS  11           1HB      CYS  11   0.502   0.853  -0.587
   68    H    TYR  12           H        TYR  12   1.010  -0.407   2.024
   69    HA   TYR  12           HA       TYR  12  -0.980  -2.202   1.462
   70    HB2  TYR  12           2HB      TYR  12   1.039  -2.816   2.611
   71    HB3  TYR  12           1HB      TYR  12   0.630  -1.804   3.996
   72    HD1  TYR  12           1HD      TYR  12  -0.441  -4.819   2.076
   73    HD2  TYR  12           2HD      TYR  12  -0.740  -2.613   5.750
   74    HE1  TYR  12           1HE      TYR  12  -1.676  -6.705   3.110
   75    HE2  TYR  12           2HE      TYR  12  -1.971  -4.498   6.784
   76    HH   TYR  12           HH       TYR  12  -2.785  -6.535   6.501
   77    H    SER  13           H        SER  13  -1.149   0.353   3.867
   78    HA   SER  13           HA       SER  13  -3.474  -0.637   5.271
   79    HB2  SER  13           2HB      SER  13  -1.722   1.695   5.193
   80    HB3  SER  13           1HB      SER  13  -3.398   2.153   5.484
   81    HG   SER  13           HG       SER  13  -1.689   1.140   7.199
   82    H    TRP  14           H        TRP  14  -3.122   1.884   2.732
   83    HA   TRP  14           HA       TRP  14  -5.897   2.491   2.473
   84    HB2  TRP  14           2HB      TRP  14  -4.182   3.914   1.561
   85    HB3  TRP  14           1HB      TRP  14  -3.538   2.598   0.573
   86    HD1  TRP  14           HD       TRP  14  -6.649   4.843   0.879
   87    HE1  TRP  14           1HE      TRP  14  -7.796   4.962  -1.428
   88    HE3  TRP  14           3HE      TRP  14  -3.781   1.501  -1.708
   89    HZ2  TRP  14           2HZ      TRP  14  -7.531   3.797  -4.024
   90    HZ3  TRP  14           3HZ      TRP  14  -4.250   1.027  -4.096
   91    HH2  TRP  14           HH       TRP  14  -6.119   2.169  -5.256
   92    H    CYS  15           H        CYS  15  -3.930   0.494   0.229
   93    HA   CYS  15           HA       CYS  15  -5.903  -0.543  -1.409
   94    HB2  CYS  15           2HB      CYS  15  -4.381  -2.446  -1.682
   95    HB3  CYS  15           1HB      CYS  15  -3.444  -0.962  -1.502
   96    H    ILE  16           H        ILE  16  -5.196  -1.535   1.926
   97    HA   ILE  16           HA       ILE  16  -6.915  -3.870   1.899
   98    HB   ILE  16           HB       ILE  16  -5.738  -2.130   4.084
   99   HG12  ILE  16          2HG1      ILE  16  -4.278  -3.498   2.427
  100   HG13  ILE  16          1HG1      ILE  16  -3.972  -3.695   4.150
  101   HG21  ILE  16          1HG2      ILE  16  -6.150  -4.490   5.301
  102   HG22  ILE  16          2HG2      ILE  16  -7.500  -4.534   4.167
  103   HG23  ILE  16          3HG2      ILE  16  -7.358  -3.204   5.318
  104   HD11  ILE  16          3HD1      ILE  16  -4.226  -5.816   2.599
  105   HD12  ILE  16          1HD1      ILE  16  -5.949  -5.510   2.813
  106   HD13  ILE  16          2HD1      ILE  16  -4.927  -5.812   4.218
  107    H    LYS  17           H        LYS  17  -7.507  -0.450   2.312
  108    HA   LYS  17           HA       LYS  17  -9.785  -0.385   3.945
  109    HB2  LYS  17           2HB      LYS  17  -8.430   1.438   2.603
  110    HB3  LYS  17           1HB      LYS  17  -9.670   1.172   1.376
  111    HG2  LYS  17           2HG      LYS  17 -11.243   1.377   3.569
  112    HG3  LYS  17           1HG      LYS  17  -9.906   2.415   4.065
  113    HD2  LYS  17           2HD      LYS  17 -10.919   4.037   2.859
  114    HD3  LYS  17           1HD      LYS  17 -10.340   3.173   1.435
  115    HE2  LYS  17           2HE      LYS  17 -12.680   3.377   1.057
  116    HE3  LYS  17           1HE      LYS  17 -12.513   1.736   1.715
  117    HZ1  LYS  17           3HZ      LYS  17 -13.565   4.143   2.986
  118    HZ2  LYS  17           1HZ      LYS  17 -12.627   3.121   3.961
  119    HZ3  LYS  17           2HZ      LYS  17 -14.019   2.519   3.194
  120    H    GLN  18           H        GLN  18  -9.459  -1.659   0.691
  121    HA   GLN  18           HA       GLN  18 -12.207  -1.674  -0.092
  122    HB2  GLN  18           2HB      GLN  18  -9.995  -3.665  -0.697
  123    HB3  GLN  18           1HB      GLN  18 -11.431  -3.373  -1.680
  124    HG2  GLN  18           2HG      GLN  18  -9.117  -1.491  -1.170
  125    HG3  GLN  18           1HG      GLN  18  -9.680  -2.127  -2.720
  126   HE21  GLN  18          1HE2      GLN  18  -9.768   0.634  -0.843
  127   HE22  GLN  18          2HE2      GLN  18 -11.199   1.325  -1.437
  128    H    ASP  19           H        ASP  19 -10.367  -3.704   2.097
  129    HA   ASP  19           HA       ASP  19 -11.144  -5.282   3.680
  130    HB2  ASP  19           2HB      ASP  19 -13.140  -3.596   3.495
  131    HB3  ASP  19           1HB      ASP  19 -13.916  -4.888   2.573
  132    H    LEU  20           H        LEU  20 -10.356  -6.041   0.897
  133    HA   LEU  20           HA       LEU  20 -12.185  -8.202   0.105
  134    HB2  LEU  20           2HB      LEU  20  -9.331  -7.815  -0.790
  135    HB3  LEU  20           1HB      LEU  20 -10.683  -8.457  -1.714
  136    HG   LEU  20           HG       LEU  20 -10.062  -5.599  -1.007
  137   HD11  LEU  20          1HD1      LEU  20 -11.043  -6.889  -3.564
  138   HD12  LEU  20          2HD1      LEU  20  -9.339  -6.664  -3.171
  139   HD13  LEU  20          3HD1      LEU  20 -10.390  -5.263  -3.375
  140   HD21  LEU  20          3HD2      LEU  20 -12.263  -5.293  -0.506
  141   HD22  LEU  20          1HD2      LEU  20 -12.712  -6.880  -1.130
  142   HD23  LEU  20          2HD2      LEU  20 -12.540  -5.515  -2.233
  143    H    SER  21           H        SER  21  -8.878  -8.002   1.467
  144    HA   SER  21           HA       SER  21  -9.109 -10.085   3.349
  145    HB2  SER  21           2HB      SER  21  -8.940 -10.918   0.532
  146    HB3  SER  21           1HB      SER  21  -7.746 -11.702   1.562
  147    HG   SER  21           HG       SER  21 -10.567 -11.673   1.793
  148    H    LYS  22           H        LYS  22  -6.770 -11.140   3.728
  149    HA   LYS  22           HA       LYS  22  -4.873  -8.928   3.889
  150    HB2  LYS  22           2HB      LYS  22  -5.331 -11.012   5.436
  151    HB3  LYS  22           1HB      LYS  22  -4.219 -11.836   4.341
  152    HG2  LYS  22           2HG      LYS  22  -2.408 -10.520   4.965
  153    HG3  LYS  22           1HG      LYS  22  -3.428  -9.169   5.461
  154    HD2  LYS  22           2HD      LYS  22  -4.136 -10.354   7.452
  155    HD3  LYS  22           1HD      LYS  22  -3.308 -11.820   6.927
  156    HE2  LYS  22           2HE      LYS  22  -1.392  -9.698   6.879
  157    HE3  LYS  22           1HE      LYS  22  -2.221  -9.654   8.448
  158    HZ1  LYS  22           3HZ      LYS  22  -0.410 -11.251   8.496
  159    HZ2  LYS  22           1HZ      LYS  22  -1.061 -12.068   7.160
  160    HZ3  LYS  22           2HZ      LYS  22  -1.902 -12.049   8.637
  161    H    ASP  23           H        ASP  23  -5.252 -11.802   1.862
  162    HA   ASP  23           HA       ASP  23  -2.671 -11.480   0.523
  163    HB2  ASP  23           2HB      ASP  23  -3.435 -13.382  -0.749
  164    HB3  ASP  23           1HB      ASP  23  -4.019 -13.623   0.897
  165    H    TRP  24           H        TRP  24  -5.845 -10.178   0.247
  166    HA   TRP  24           HA       TRP  24  -6.097  -9.571  -2.491
  167    HB2  TRP  24           2HB      TRP  24  -7.972  -8.923  -1.372
  168    HB3  TRP  24           1HB      TRP  24  -7.082  -8.658   0.125
  169    HD1  TRP  24           HD       TRP  24  -7.567  -6.276   0.861
  170    HE1  TRP  24           1HE      TRP  24  -7.561  -3.957  -0.266
  171    HE3  TRP  24           3HE      TRP  24  -6.664  -7.646  -3.969
  172    HZ2  TRP  24           2HZ      TRP  24  -7.213  -2.831  -2.876
  173    HZ3  TRP  24           3HZ      TRP  24  -6.497  -5.937  -5.757
  174    HH2  TRP  24           HH       TRP  24  -6.772  -3.532  -5.217
  175    H    CYS  25           H        CYS  25  -4.475  -7.652   0.077
  176    HA   CYS  25           HA       CYS  25  -3.351  -5.857  -2.006
  177    HB2  CYS  25           2HB      CYS  25  -4.340  -5.052   0.176
  178    HB3  CYS  25           1HB      CYS  25  -2.988  -5.832   1.004
  179    H    CYS  26           H        CYS  26  -2.370  -8.492   0.090
  180    HA   CYS  26           HA       CYS  26   0.375  -8.231   0.342
  181    HB2  CYS  26           2HB      CYS  26  -1.307 -10.154   0.888
  182    HB3  CYS  26           1HB      CYS  26  -0.879 -10.768  -0.709
  183    H    ASP  27           H        ASP  27  -1.412  -9.242  -2.569
  184    HA   ASP  27           HA       ASP  27   1.052  -9.412  -4.179
  185    HB2  ASP  27           2HB      ASP  27  -1.828 -10.073  -4.370
  186    HB3  ASP  27           1HB      ASP  27  -1.064  -9.619  -5.894
  187    H    PHE  28           H        PHE  28  -1.454  -7.077  -3.469
  188    HA   PHE  28           HA       PHE  28  -1.394  -5.455  -5.790
  189    HB2  PHE  28           2HB      PHE  28  -3.030  -5.168  -4.042
  190    HB3  PHE  28           1HB      PHE  28  -1.770  -4.836  -2.847
  191    HD1  PHE  28           2HD      PHE  28  -3.016  -3.578  -6.162
  192    HD2  PHE  28           1HD      PHE  28  -1.222  -2.618  -2.378
  193    HE1  PHE  28           2HE      PHE  28  -3.104  -1.165  -6.732
  194    HE2  PHE  28           1HE      PHE  28  -1.310  -0.206  -2.949
  195    HZ   PHE  28           HZ       PHE  28  -2.251   0.519  -5.126
  196    H    VAL  29           H        VAL  29   0.366  -4.704  -2.738
  197    HA   VAL  29           HA       VAL  29   1.999  -2.661  -3.772
  198    HB   VAL  29           HB       VAL  29   3.503  -3.284  -1.874
  199   HG11  VAL  29          1HG1      VAL  29   1.379  -1.995  -1.532
  200   HG12  VAL  29          2HG1      VAL  29   1.854  -2.944  -0.122
  201   HG13  VAL  29          3HG1      VAL  29   0.561  -3.517  -1.176
  202   HG21  VAL  29          3HG2      VAL  29   1.695  -5.712  -1.821
  203   HG22  VAL  29          1HG2      VAL  29   2.720  -5.237  -0.466
  204   HG23  VAL  29          2HG2      VAL  29   3.449  -5.683  -2.010
  205    H    LYS  30           H        LYS  30   2.299  -6.148  -4.139
  206    HA   LYS  30           HA       LYS  30   5.036  -6.077  -5.152
  207    HB2  LYS  30           2HB      LYS  30   3.135  -7.956  -4.257
  208    HB3  LYS  30           1HB      LYS  30   3.435  -8.365  -5.946
  209    HG2  LYS  30           2HG      LYS  30   5.714  -8.746  -5.587
  210    HG3  LYS  30           1HG      LYS  30   5.744  -7.775  -4.115
  211    HD2  LYS  30           2HD      LYS  30   5.106  -9.520  -2.814
  212    HD3  LYS  30           1HD      LYS  30   3.898 -10.057  -3.982
  213    HE2  LYS  30           2HE      LYS  30   6.008 -10.799  -5.389
  214    HE3  LYS  30           1HE      LYS  30   6.808 -10.786  -3.805
  215    HZ1  LYS  30           3HZ      LYS  30   5.562 -12.903  -4.509
  216    HZ2  LYS  30           1HZ      LYS  30   4.154 -12.029  -4.150
  217    HZ3  LYS  30           2HZ      LYS  30   5.310 -12.308  -2.937
  218    H    ASP  31           H        ASP  31   1.800  -5.845  -6.515
  219    HA   ASP  31           HA       ASP  31   2.681  -6.225  -9.287
  220    HB2  ASP  31           2HB      ASP  31   0.479  -6.928  -8.703
  221    HB3  ASP  31           1HB      ASP  31   0.130  -5.405  -7.884
  222    H    ILE  32           H        ILE  32   2.128  -3.516  -7.098
  223    HA   ILE  32           HA       ILE  32   2.289  -1.532  -9.281
  224    HB   ILE  32           HB       ILE  32   1.962   0.050  -7.387
  225   HG12  ILE  32          2HG1      ILE  32   1.901  -2.419  -5.632
  226   HG13  ILE  32          1HG1      ILE  32   3.311  -1.370  -5.766
  227   HG21  ILE  32          1HG2      ILE  32   0.025  -2.087  -6.723
  228   HG22  ILE  32          2HG2      ILE  32   0.152  -1.693  -8.437
  229   HG23  ILE  32          3HG2      ILE  32  -0.264  -0.436  -7.271
  230   HD11  ILE  32          3HD1      ILE  32   0.980   0.252  -5.335
  231   HD12  ILE  32          1HD1      ILE  32   2.402   0.083  -4.307
  232   HD13  ILE  32          2HD1      ILE  32   1.034  -1.011  -4.106
  233    H    ARG  33           H        ARG  33   4.609  -3.335  -8.646
  234    HA   ARG  33           HA       ARG  33   6.956  -3.146  -8.494
  235    HB2  ARG  33           2HB      ARG  33   5.851  -0.961  -9.900
  236    HB3  ARG  33           1HB      ARG  33   7.092  -0.280  -8.847
  237    HG2  ARG  33           2HG      ARG  33   7.632  -2.743 -10.504
  238    HG3  ARG  33           1HG      ARG  33   7.836  -1.126 -11.177
  239    HD2  ARG  33           2HD      ARG  33   9.075  -1.626  -8.509
  240    HD3  ARG  33           1HD      ARG  33   9.852  -2.379  -9.918
  241    HE   ARG  33           HE       ARG  33   9.212   0.287 -10.633
  242   HH11  ARG  33          1HH2      ARG  33  11.215  -1.471  -8.436
  243   HH12  ARG  33          2HH2      ARG  33  12.439  -0.248  -8.374
  244   HH21  ARG  33          1HH1      ARG  33  10.802   1.887 -10.557
  245   HH22  ARG  33          2HH1      ARG  33  12.206   1.647  -9.571
  246    H    MET  34           H        MET  34   5.515  -2.948  -5.980
  247    HA   MET  34           HA       MET  34   7.283  -1.014  -4.509
  248    HB2  MET  34           2HB      MET  34   4.400  -1.766  -4.324
  249    HB3  MET  34           1HB      MET  34   5.233  -1.417  -2.811
  250    HG2  MET  34           2HG      MET  34   5.306   0.426  -5.213
  251    HG3  MET  34           1HG      MET  34   4.146   0.593  -3.890
  252    HE1  MET  34           3HE      MET  34   6.944   3.030  -4.530
  253    HE2  MET  34           1HE      MET  34   6.836   1.552  -5.497
  254    HE3  MET  34           2HE      MET  34   8.250   1.847  -4.489
  255    H    ASN  35           H        ASN  35   7.507  -1.815  -2.106
  256    HA   ASN  35           HA       ASN  35   8.169  -4.733  -2.204
  257    HB2  ASN  35           2HB      ASN  35   9.789  -2.651  -1.755
  258    HB3  ASN  35           1HB      ASN  35   9.193  -2.862  -0.108
  259   HD21  ASN  35          1HD2      ASN  35  10.999  -3.866   0.872
  260   HD22  ASN  35          2HD2      ASN  35  11.663  -5.345   0.337
  261    HA   PRO  36           HA       PRO  36   4.863  -5.157   0.744
  262    HB2  PRO  36           2HB      PRO  36   5.248  -7.810   1.263
  263    HB3  PRO  36           1HB      PRO  36   4.442  -7.220  -0.206
  264    HG2  PRO  36           2HG      PRO  36   7.227  -8.193   0.167
  265    HG3  PRO  36           1HG      PRO  36   6.130  -8.412  -1.205
  266    HD2  PRO  36           2HD      PRO  36   8.181  -6.600  -1.165
  267    HD3  PRO  36           1HD      PRO  36   6.716  -6.417  -2.155
  268    HA   PRO  37           HA       PRO  37   7.200  -4.817   4.462
  269    HB2  PRO  37           2HB      PRO  37   5.118  -4.837   6.238
  270    HB3  PRO  37           1HB      PRO  37   5.514  -3.431   5.229
  271    HG2  PRO  37           2HG      PRO  37   3.368  -5.451   4.899
  272    HG3  PRO  37           1HG      PRO  37   3.365  -3.723   4.519
  273    HD2  PRO  37           2HD      PRO  37   3.662  -5.740   2.659
  274    HD3  PRO  37           1HD      PRO  37   4.194  -4.058   2.429
  275    H    ALA  38           H        ALA  38   7.969  -6.212   6.111
  276    HA   ALA  38           HA       ALA  38   7.267  -9.055   5.802
  277    HB1  ALA  38           1HB      ALA  38   9.411  -7.368   6.905
  278    HB2  ALA  38           2HB      ALA  38   9.512  -8.969   6.170
  279    HB3  ALA  38           3HB      ALA  38   9.083  -8.805   7.873
  280    H    ASP  39           H        ASP  39   5.580  -6.790   7.271
  281    HA   ASP  39           HA       ASP  39   5.240  -8.223   9.874
  282    HB2  ASP  39           2HB      ASP  39   4.459  -5.476   8.852
  283    HB3  ASP  39           1HB      ASP  39   4.027  -6.082  10.452
  284    H    LYS  40           H        LYS  40   3.626  -7.390   6.869
  285    HA   LYS  40           HA       LYS  40   1.068  -8.549   7.909
  286    HB2  LYS  40           2HB      LYS  40   1.795  -6.742   5.586
  287    HB3  LYS  40           1HB      LYS  40   0.177  -7.403   5.818
  288    HG2  LYS  40           2HG      LYS  40   1.661  -5.751   7.883
  289    HG3  LYS  40           1HG      LYS  40   0.438  -5.111   6.786
  290    HD2  LYS  40           2HD      LYS  40  -1.128  -5.720   8.283
  291    HD3  LYS  40           1HD      LYS  40  -0.723  -7.401   7.936
  292    HE2  LYS  40           2HE      LYS  40   0.882  -7.477   9.731
  293    HE3  LYS  40           1HE      LYS  40   0.784  -5.720   9.966
  294    HZ1  LYS  40           3HZ      LYS  40  -0.647  -7.178  11.475
  295    HZ2  LYS  40           1HZ      LYS  40  -1.621  -7.433  10.111
  296    HZ3  LYS  40           2HZ      LYS  40  -1.404  -5.861  10.716
  297    H    CYS  41           H        CYS  41   3.573  -8.894   5.447
  298    HA   CYS  41           HA       CYS  41   2.318 -11.491   4.636
  299    HB2  CYS  41           2HB      CYS  41   3.260  -9.135   3.029
  300    HB3  CYS  41           1HB      CYS  41   3.374 -10.752   2.326
  301    HA   PRO  42           HA       PRO  42   6.501 -12.686   5.650
  302    HB2  PRO  42           2HB      PRO  42   6.106 -15.375   5.357
  303    HB3  PRO  42           1HB      PRO  42   5.568 -14.473   6.787
  304    HG2  PRO  42           2HG      PRO  42   3.999 -15.454   4.470
  305    HG3  PRO  42           1HG      PRO  42   3.537 -15.311   6.173
  306    HD2  PRO  42           2HD      PRO  42   2.793 -13.549   4.179
  307    HD3  PRO  42           1HD      PRO  42   2.813 -13.173   5.917
  Start of MODEL   14
    1    H1   ILE   1           H        ILE   1  -5.044   5.033  10.035
    2    HA   ILE   1           HA       ILE   1  -5.430   7.913   9.312
    3    HB   ILE   1           HB       ILE   1  -3.680   7.888  10.945
    4   HG12  ILE   1          2HG1      ILE   1  -1.952   7.605   8.527
    5   HG13  ILE   1          1HG1      ILE   1  -3.234   8.815   8.458
    6   HG21  ILE   1          1HG2      ILE   1  -2.924   5.775  11.356
    7   HG22  ILE   1          2HG2      ILE   1  -1.682   6.194  10.175
    8   HG23  ILE   1          3HG2      ILE   1  -3.105   5.280   9.672
    9   HD11  ILE   1          3HD1      ILE   1  -2.400   9.693  10.679
   10   HD12  ILE   1          1HD1      ILE   1  -1.274   9.907   9.337
   11   HD13  ILE   1          2HD1      ILE   1  -1.015   8.614  10.508
   12    HA   PRO   2           HA       PRO   2  -4.987   5.221   5.609
   13    HB2  PRO   2           2HB      PRO   2  -6.971   6.441   4.173
   14    HB3  PRO   2           1HB      PRO   2  -7.277   5.127   5.331
   15    HG2  PRO   2           2HG      PRO   2  -7.666   8.055   5.647
   16    HG3  PRO   2           1HG      PRO   2  -8.633   6.710   6.270
   17    HD2  PRO   2           2HD      PRO   2  -6.837   8.152   7.770
   18    HD3  PRO   2           1HD      PRO   2  -7.347   6.489   8.141
   19    H    TYR   3           H        TYR   3  -2.943   6.241   5.151
   20    HA   TYR   3           HA       TYR   3  -3.156   8.511   3.232
   21    HB2  TYR   3           2HB      TYR   3  -1.654   9.838   4.447
   22    HB3  TYR   3           1HB      TYR   3  -2.577   9.072   5.742
   23    HD1  TYR   3           2HD      TYR   3  -1.632   6.923   6.790
   24    HD2  TYR   3           1HD      TYR   3   0.680   9.541   4.288
   25    HE1  TYR   3           2HE      TYR   3   0.460   5.946   7.697
   26    HE2  TYR   3           1HE      TYR   3   2.770   8.563   5.193
   27    HH   TYR   3           HH       TYR   3   3.382   6.223   6.284
   28    H    CYS   4           H        CYS   4  -2.133   7.868   1.389
   29    HA   CYS   4           HA       CYS   4  -0.241   5.595   1.479
   30    HB2  CYS   4           2HB      CYS   4  -2.162   5.704  -0.097
   31    HB3  CYS   4           1HB      CYS   4  -1.468   7.155  -0.818
   32    H    GLY   5           H        GLY   5   1.608   6.712   2.387
   33    HA2  GLY   5           2HA      GLY   5   2.795   9.097   1.661
   34    HA3  GLY   5           1HA      GLY   5   3.748   7.651   2.023
   35    H    GLN   6           H        GLN   6   4.294   6.225   0.221
   36    HA   GLN   6           HA       GLN   6   3.659   6.838  -2.516
   37    HB2  GLN   6           2HB      GLN   6   5.783   8.347  -1.153
   38    HB3  GLN   6           1HB      GLN   6   6.320   7.593  -2.660
   39    HG2  GLN   6           2HG      GLN   6   3.782   8.643  -3.240
   40    HG3  GLN   6           1HG      GLN   6   4.578   9.888  -2.279
   41   HE21  GLN   6          1HE2      GLN   6   4.262   8.730  -5.434
   42   HE22  GLN   6          2HE2      GLN   6   5.671   9.425  -6.101
   43    H    THR   7           H        THR   7   4.161   4.569  -0.617
   44    HA   THR   7           HA       THR   7   5.982   3.014  -2.394
   45    HB   THR   7           HB       THR   7   6.845   2.050  -0.102
   46    HG1  THR   7           1HG      THR   7   5.155   3.600   0.859
   47   HG21  THR   7          3HG2      THR   7   7.661   4.857  -0.884
   48   HG22  THR   7          1HG2      THR   7   8.126   3.424  -1.801
   49   HG23  THR   7          2HG2      THR   7   8.666   3.618  -0.133
   50    H    GLY   8           H        GLY   8   5.895   0.590  -1.257
   51    HA2  GLY   8           2HA      GLY   8   3.048  -0.130  -1.433
   52    HA3  GLY   8           1HA      GLY   8   4.403  -1.261  -1.354
   53    H    ALA   9           H        ALA   9   5.600  -0.033   1.014
   54    HA   ALA   9           HA       ALA   9   4.179  -1.494   3.055
   55    HB1  ALA   9           1HB      ALA   9   6.321  -1.318   3.759
   56    HB2  ALA   9           2HB      ALA   9   5.927   0.322   4.272
   57    HB3  ALA   9           3HB      ALA   9   6.626   0.040   2.678
   58    H    GLU  10           H        GLU  10   4.518   2.016   2.414
   59    HA   GLU  10           HA       GLU  10   2.893   2.843   4.657
   60    HB2  GLU  10           2HB      GLU  10   3.469   4.271   2.043
   61    HB3  GLU  10           1HB      GLU  10   3.070   5.018   3.590
   62    HG2  GLU  10           2HG      GLU  10   5.583   3.490   2.875
   63    HG3  GLU  10           1HG      GLU  10   5.448   5.186   3.346
   64    H    CYS  11           H        CYS  11   2.196   2.295   1.204
   65    HA   CYS  11           HA       CYS  11  -0.577   3.171   1.405
   66    HB2  CYS  11           2HB      CYS  11   1.265   2.849  -0.570
   67    HB3  CYS  11           1HB      CYS  11   0.311   1.383  -0.787
   68    H    TYR  12           H        TYR  12   1.092   0.098   1.836
   69    HA   TYR  12           HA       TYR  12  -0.917  -1.774   1.301
   70    HB2  TYR  12           2HB      TYR  12   1.406  -2.235   2.013
   71    HB3  TYR  12           1HB      TYR  12   0.999  -1.709   3.647
   72    HD1  TYR  12           2HD      TYR  12  -0.495  -3.028   5.068
   73    HD2  TYR  12           1HD      TYR  12   0.542  -4.345   1.112
   74    HE1  TYR  12           2HE      TYR  12  -1.389  -5.280   5.583
   75    HE2  TYR  12           1HE      TYR  12  -0.347  -6.601   1.633
   76    HH   TYR  12           HH       TYR  12  -1.544  -7.397   4.883
   77    H    SER  13           H        SER  13  -0.807   0.576   3.874
   78    HA   SER  13           HA       SER  13  -2.686  -0.748   5.647
   79    HB2  SER  13           2HB      SER  13  -1.507   1.999   5.316
   80    HB3  SER  13           1HB      SER  13  -2.797   1.734   6.487
   81    HG   SER  13           HG       SER  13  -1.306  -0.186   7.038
   82    H    TRP  14           H        TRP  14  -3.038   1.347   2.852
   83    HA   TRP  14           HA       TRP  14  -5.839   2.010   3.445
   84    HB2  TRP  14           2HB      TRP  14  -4.565   3.646   2.294
   85    HB3  TRP  14           1HB      TRP  14  -3.881   2.452   1.187
   86    HD1  TRP  14           HD       TRP  14  -6.992   4.542   1.812
   87    HE1  TRP  14           1HE      TRP  14  -8.517   4.420  -0.264
   88    HE3  TRP  14           3HE      TRP  14  -4.552   0.942  -0.857
   89    HZ2  TRP  14           2HZ      TRP  14  -8.677   2.981  -2.736
   90    HZ3  TRP  14           3HZ      TRP  14  -5.406   0.214  -3.065
   91    HH2  TRP  14           HH       TRP  14  -7.465   1.227  -4.008
   92    H    CYS  15           H        CYS  15  -4.213   0.178   0.829
   93    HA   CYS  15           HA       CYS  15  -6.394  -0.874  -0.525
   94    HB2  CYS  15           2HB      CYS  15  -4.818  -2.784  -0.985
   95    HB3  CYS  15           1HB      CYS  15  -4.075  -1.194  -1.169
   96    H    ILE  16           H        ILE  16  -5.392  -1.681   2.737
   97    HA   ILE  16           HA       ILE  16  -6.867  -4.224   2.789
   98    HB   ILE  16           HB       ILE  16  -5.665  -2.573   5.029
   99   HG12  ILE  16          2HG1      ILE  16  -4.145  -3.136   3.029
  100   HG13  ILE  16          1HG1      ILE  16  -3.586  -3.655   4.618
  101   HG21  ILE  16          1HG2      ILE  16  -6.399  -5.498   4.729
  102   HG22  ILE  16          2HG2      ILE  16  -7.069  -4.340   5.878
  103   HG23  ILE  16          3HG2      ILE  16  -5.398  -4.878   6.043
  104   HD11  ILE  16          3HD1      ILE  16  -3.295  -5.498   3.068
  105   HD12  ILE  16          1HD1      ILE  16  -4.968  -5.362   2.530
  106   HD13  ILE  16          2HD1      ILE  16  -4.611  -5.906   4.169
  107    H    LYS  17           H        LYS  17  -7.602  -0.875   3.388
  108    HA   LYS  17           HA       LYS  17  -9.731  -1.225   5.294
  109    HB2  LYS  17           2HB      LYS  17  -8.469   0.881   4.689
  110    HB3  LYS  17           1HB      LYS  17  -9.376   0.915   3.175
  111    HG2  LYS  17           2HG      LYS  17 -11.436   1.242   4.281
  112    HG3  LYS  17           1HG      LYS  17 -10.781   0.742   5.839
  113    HD2  LYS  17           2HD      LYS  17  -9.161   2.885   5.073
  114    HD3  LYS  17           1HD      LYS  17 -10.788   3.383   4.608
  115    HE2  LYS  17           2HE      LYS  17 -11.015   2.157   7.169
  116    HE3  LYS  17           1HE      LYS  17  -9.656   3.297   7.250
  117    HZ1  LYS  17           3HZ      LYS  17 -11.096   4.930   6.089
  118    HZ2  LYS  17           1HZ      LYS  17 -11.662   4.516   7.633
  119    HZ3  LYS  17           2HZ      LYS  17 -12.401   3.853   6.254
  120    H    GLN  18           H        GLN  18  -9.495  -1.801   1.876
  121    HA   GLN  18           HA       GLN  18 -12.262  -1.493   1.149
  122    HB2  GLN  18           2HB      GLN  18  -9.949  -3.144   0.092
  123    HB3  GLN  18           1HB      GLN  18 -11.499  -3.022  -0.740
  124    HG2  GLN  18           2HG      GLN  18  -9.571  -0.771  -0.109
  125    HG3  GLN  18           1HG      GLN  18 -10.048  -1.359  -1.706
  126   HE21  GLN  18          1HE2      GLN  18 -10.922   0.793   0.887
  127   HE22  GLN  18          2HE2      GLN  18 -12.379   1.344   0.215
  128    H    ASP  19           H        ASP  19 -10.578  -3.870   3.000
  129    HA   ASP  19           HA       ASP  19 -11.385  -5.780   4.130
  130    HB2  ASP  19           2HB      ASP  19 -13.632  -4.085   3.504
  131    HB3  ASP  19           1HB      ASP  19 -14.120  -5.778   3.374
  132    H    LEU  20           H        LEU  20 -10.351  -6.028   1.416
  133    HA   LEU  20           HA       LEU  20 -12.128  -7.995   0.084
  134    HB2  LEU  20           2HB      LEU  20  -9.311  -7.261  -0.711
  135    HB3  LEU  20           1HB      LEU  20 -10.658  -7.723  -1.748
  136    HG   LEU  20           HG       LEU  20 -10.196  -5.096  -0.339
  137   HD11  LEU  20          1HD1      LEU  20  -9.309  -4.899  -2.462
  138   HD12  LEU  20          2HD1      LEU  20 -10.983  -4.461  -2.804
  139   HD13  LEU  20          3HD1      LEU  20 -10.411  -6.094  -3.146
  140   HD21  LEU  20          3HD2      LEU  20 -12.475  -5.448   0.169
  141   HD22  LEU  20          1HD2      LEU  20 -12.768  -6.317  -1.337
  142   HD23  LEU  20          2HD2      LEU  20 -12.539  -4.569  -1.359
  143    H    SER  21           H        SER  21  -8.683  -7.944   1.067
  144    HA   SER  21           HA       SER  21  -8.773 -10.344   2.629
  145    HB2  SER  21           2HB      SER  21  -9.309 -10.990   0.123
  146    HB3  SER  21           1HB      SER  21  -7.568 -10.834  -0.082
  147    HG   SER  21           HG       SER  21  -9.057 -12.709   1.308
  148    H    LYS  22           H        LYS  22  -6.842 -10.407   3.769
  149    HA   LYS  22           HA       LYS  22  -4.874  -8.419   3.631
  150    HB2  LYS  22           2HB      LYS  22  -3.468 -10.239   4.797
  151    HB3  LYS  22           1HB      LYS  22  -5.017  -9.835   5.538
  152    HG2  LYS  22           2HG      LYS  22  -5.823 -11.909   5.185
  153    HG3  LYS  22           1HG      LYS  22  -5.306 -11.893   3.497
  154    HD2  LYS  22           2HD      LYS  22  -2.952 -12.315   4.330
  155    HD3  LYS  22           1HD      LYS  22  -3.650 -12.607   5.923
  156    HE2  LYS  22           2HE      LYS  22  -5.096 -14.393   4.929
  157    HE3  LYS  22           1HE      LYS  22  -4.270 -14.150   3.377
  158    HZ1  LYS  22           3HZ      LYS  22  -3.346 -15.525   5.697
  159    HZ2  LYS  22           1HZ      LYS  22  -2.268 -14.288   5.263
  160    HZ3  LYS  22           2HZ      LYS  22  -2.679 -15.489   4.135
  161    H    ASP  23           H        ASP  23  -5.181 -11.347   1.715
  162    HA   ASP  23           HA       ASP  23  -2.491 -11.157   0.571
  163    HB2  ASP  23           2HB      ASP  23  -3.783 -13.273   0.890
  164    HB3  ASP  23           1HB      ASP  23  -4.967 -12.697  -0.283
  165    H    TRP  24           H        TRP  24  -5.524  -9.651   0.064
  166    HA   TRP  24           HA       TRP  24  -5.545  -9.178  -2.745
  167    HB2  TRP  24           2HB      TRP  24  -7.230  -8.709  -0.775
  168    HB3  TRP  24           1HB      TRP  24  -6.407  -7.148  -0.694
  169    HD1  TRP  24           HD       TRP  24  -8.834  -9.150  -2.762
  170    HE1  TRP  24           1HE      TRP  24  -9.721  -7.700  -4.700
  171    HE3  TRP  24           3HE      TRP  24  -5.716  -5.131  -2.352
  172    HZ2  TRP  24           2HZ      TRP  24  -9.183  -5.165  -5.910
  173    HZ3  TRP  24           3HZ      TRP  24  -5.924  -3.211  -3.907
  174    HH2  TRP  24           HH       TRP  24  -7.654  -3.223  -5.683
  175    H    CYS  25           H        CYS  25  -3.951  -7.452  -0.073
  176    HA   CYS  25           HA       CYS  25  -2.782  -5.487  -1.963
  177    HB2  CYS  25           2HB      CYS  25  -3.809  -5.101   0.410
  178    HB3  CYS  25           1HB      CYS  25  -2.254  -5.697   0.996
  179    H    CYS  26           H        CYS  26  -1.833  -8.249   0.046
  180    HA   CYS  26           HA       CYS  26   0.929  -8.053   0.197
  181    HB2  CYS  26           2HB      CYS  26  -1.004 -10.012   0.476
  182    HB3  CYS  26           1HB      CYS  26  -0.007 -10.646  -0.835
  183    H    ASP  27           H        ASP  27  -0.895  -9.286  -2.629
  184    HA   ASP  27           HA       ASP  27   1.532  -9.329  -4.293
  185    HB2  ASP  27           2HB      ASP  27  -1.259 -10.272  -4.341
  186    HB3  ASP  27           1HB      ASP  27  -0.656  -9.763  -5.917
  187    H    PHE  28           H        PHE  28  -1.168  -7.174  -3.684
  188    HA   PHE  28           HA       PHE  28  -1.275  -5.663  -6.070
  189    HB2  PHE  28           2HB      PHE  28  -2.825  -5.441  -4.183
  190    HB3  PHE  28           1HB      PHE  28  -1.521  -4.817  -3.166
  191    HD1  PHE  28           1HD      PHE  28  -2.236  -4.057  -6.757
  192    HD2  PHE  28           2HD      PHE  28  -2.171  -2.586  -2.720
  193    HE1  PHE  28           1HE      PHE  28  -2.676  -1.760  -7.585
  194    HE2  PHE  28           2HE      PHE  28  -2.610  -0.292  -3.550
  195    HZ   PHE  28           HZ       PHE  28  -2.863   0.123  -5.981
  196    H    VAL  29           H        VAL  29   0.508  -4.673  -3.123
  197    HA   VAL  29           HA       VAL  29   2.045  -2.638  -4.385
  198    HB   VAL  29           HB       VAL  29   3.394  -2.824  -2.317
  199   HG11  VAL  29          1HG1      VAL  29   1.105  -1.797  -2.269
  200   HG12  VAL  29          2HG1      VAL  29   1.584  -2.501  -0.724
  201   HG13  VAL  29          3HG1      VAL  29   0.459  -3.363  -1.775
  202   HG21  VAL  29          3HG2      VAL  29   1.884  -5.436  -2.045
  203   HG22  VAL  29          1HG2      VAL  29   2.750  -4.674  -0.711
  204   HG23  VAL  29          2HG2      VAL  29   3.633  -5.218  -2.138
  205    H    LYS  30           H        LYS  30   2.843  -6.066  -3.721
  206    HA   LYS  30           HA       LYS  30   5.507  -6.040  -4.704
  207    HB2  LYS  30           2HB      LYS  30   4.572  -7.851  -3.395
  208    HB3  LYS  30           1HB      LYS  30   3.333  -8.148  -4.613
  209    HG2  LYS  30           2HG      LYS  30   5.653  -8.329  -6.088
  210    HG3  LYS  30           1HG      LYS  30   6.130  -9.034  -4.542
  211    HD2  LYS  30           2HD      LYS  30   4.722 -10.819  -4.764
  212    HD3  LYS  30           1HD      LYS  30   3.478  -9.859  -5.568
  213    HE2  LYS  30           2HE      LYS  30   5.517  -9.818  -7.427
  214    HE3  LYS  30           1HE      LYS  30   5.649 -11.454  -6.752
  215    HZ1  LYS  30           3HZ      LYS  30   3.925 -11.886  -8.110
  216    HZ2  LYS  30           1HZ      LYS  30   3.486 -10.256  -8.264
  217    HZ3  LYS  30           2HZ      LYS  30   2.993 -11.141  -6.901
  218    H    ASP  31           H        ASP  31   2.457  -5.892  -6.363
  219    HA   ASP  31           HA       ASP  31   3.463  -6.850  -8.941
  220    HB2  ASP  31           2HB      ASP  31   0.961  -5.928  -7.689
  221    HB3  ASP  31           1HB      ASP  31   1.116  -5.462  -9.383
  222    H    ILE  32           H        ILE  32   2.554  -3.666  -7.585
  223    HA   ILE  32           HA       ILE  32   3.479  -2.237  -9.966
  224    HB   ILE  32           HB       ILE  32   3.083  -0.249  -8.352
  225   HG12  ILE  32          2HG1      ILE  32   1.651  -2.333  -6.707
  226   HG13  ILE  32          1HG1      ILE  32   3.314  -1.873  -6.335
  227   HG21  ILE  32          1HG2      ILE  32   0.529  -1.649  -8.381
  228   HG22  ILE  32          2HG2      ILE  32   1.385  -1.823  -9.912
  229   HG23  ILE  32          3HG2      ILE  32   1.029  -0.215  -9.279
  230   HD11  ILE  32          3HD1      ILE  32   1.926   0.545  -6.743
  231   HD12  ILE  32          1HD1      ILE  32   2.495  -0.106  -5.205
  232   HD13  ILE  32          2HD1      ILE  32   0.858  -0.456  -5.759
  233    H    ARG  33           H        ARG  33   5.596  -3.764  -9.191
  234    HA   ARG  33           HA       ARG  33   7.823  -3.730  -8.358
  235    HB2  ARG  33           2HB      ARG  33   8.995  -1.841  -9.388
  236    HB3  ARG  33           1HB      ARG  33   7.735  -2.428 -10.475
  237    HG2  ARG  33           2HG      ARG  33   6.311  -0.600 -10.001
  238    HG3  ARG  33           1HG      ARG  33   7.199  -0.178  -8.537
  239    HD2  ARG  33           2HD      ARG  33   9.138   0.524  -9.877
  240    HD3  ARG  33           1HD      ARG  33   8.295   0.049 -11.365
  241    HE   ARG  33           HE       ARG  33   6.965   1.996 -11.170
  242   HH11  ARG  33          1HH2      ARG  33   8.564   1.219  -8.209
  243   HH12  ARG  33          2HH2      ARG  33   8.050   2.663  -7.404
  244   HH21  ARG  33          1HH1      ARG  33   6.289   3.883 -10.131
  245   HH22  ARG  33          2HH1      ARG  33   6.768   4.173  -8.492
  246    H    MET  34           H        MET  34   6.280  -3.296  -6.121
  247    HA   MET  34           HA       MET  34   7.695  -1.026  -4.759
  248    HB2  MET  34           2HB      MET  34   4.880  -2.114  -4.499
  249    HB3  MET  34           1HB      MET  34   5.588  -1.027  -3.305
  250    HG2  MET  34           2HG      MET  34   6.043  -0.000  -5.967
  251    HG3  MET  34           1HG      MET  34   4.320  -0.304  -5.719
  252    HE1  MET  34           3HE      MET  34   4.991   2.156  -6.458
  253    HE2  MET  34           1HE      MET  34   4.947   3.484  -5.290
  254    HE3  MET  34           2HE      MET  34   3.519   2.486  -5.547
  255    H    ASN  35           H        ASN  35   7.519  -1.525  -2.207
  256    HA   ASN  35           HA       ASN  35   8.577  -4.300  -1.876
  257    HB2  ASN  35           2HB      ASN  35   9.817  -3.372  -0.045
  258    HB3  ASN  35           1HB      ASN  35   9.916  -2.193  -1.353
  259   HD21  ASN  35          1HD2      ASN  35   8.550  -2.811   1.845
  260   HD22  ASN  35          2HD2      ASN  35   7.948  -1.233   2.089
  261    HA   PRO  36           HA       PRO  36   4.729  -4.933   0.348
  262    HB2  PRO  36           2HB      PRO  36   4.963  -7.644   0.495
  263    HB3  PRO  36           1HB      PRO  36   4.396  -6.808  -0.964
  264    HG2  PRO  36           2HG      PRO  36   7.033  -8.023  -0.384
  265    HG3  PRO  36           1HG      PRO  36   6.169  -7.881  -1.919
  266    HD2  PRO  36           2HD      PRO  36   8.287  -6.278  -1.116
  267    HD3  PRO  36           1HD      PRO  36   7.120  -5.876  -2.395
  268    HA   PRO  37           HA       PRO  37   6.727  -5.295   4.288
  269    HB2  PRO  37           2HB      PRO  37   4.501  -4.935   5.833
  270    HB3  PRO  37           1HB      PRO  37   5.319  -3.601   4.996
  271    HG2  PRO  37           2HG      PRO  37   2.807  -5.005   4.312
  272    HG3  PRO  37           1HG      PRO  37   3.281  -3.326   4.020
  273    HD2  PRO  37           2HD      PRO  37   3.291  -5.377   2.131
  274    HD3  PRO  37           1HD      PRO  37   4.131  -3.817   1.979
  275    H    ALA  38           H        ALA  38   6.939  -6.942   5.875
  276    HA   ALA  38           HA       ALA  38   5.395  -9.430   5.317
  277    HB1  ALA  38           1HB      ALA  38   7.688  -9.864   5.235
  278    HB2  ALA  38           2HB      ALA  38   7.340 -10.245   6.921
  279    HB3  ALA  38           3HB      ALA  38   8.054  -8.689   6.498
  280    H    ASP  39           H        ASP  39   4.912  -6.866   7.228
  281    HA   ASP  39           HA       ASP  39   4.627  -8.095   9.860
  282    HB2  ASP  39           2HB      ASP  39   4.511  -5.511   8.590
  283    HB3  ASP  39           1HB      ASP  39   3.072  -5.728   9.587
  284    H    LYS  40           H        LYS  40   2.822  -8.260   7.001
  285    HA   LYS  40           HA       LYS  40   0.357  -9.014   8.538
  286    HB2  LYS  40           2HB      LYS  40   0.586  -7.753   5.785
  287    HB3  LYS  40           1HB      LYS  40  -0.909  -8.068   6.669
  288    HG2  LYS  40           2HG      LYS  40   1.309  -6.275   7.693
  289    HG3  LYS  40           1HG      LYS  40  -0.116  -5.686   6.841
  290    HD2  LYS  40           2HD      LYS  40  -1.470  -5.988   8.639
  291    HD3  LYS  40           1HD      LYS  40  -0.719  -7.527   9.061
  292    HE2  LYS  40           2HE      LYS  40   0.558  -6.527  10.644
  293    HE3  LYS  40           1HE      LYS  40   1.138  -5.321   9.477
  294    HZ1  LYS  40           3HZ      LYS  40  -0.209  -4.313  11.253
  295    HZ2  LYS  40           1HZ      LYS  40  -1.529  -5.272  10.788
  296    HZ3  LYS  40           2HZ      LYS  40  -0.912  -4.105   9.720
  297    H    CYS  41           H        CYS  41   1.963  -9.441   5.358
  298    HA   CYS  41           HA       CYS  41   1.478 -12.369   5.540
  299    HB2  CYS  41           2HB      CYS  41   0.403 -12.273   3.267
  300    HB3  CYS  41           1HB      CYS  41  -0.532 -11.443   4.515
  301    HA   PRO  42           HA       PRO  42   5.538 -11.886   3.717
  302    HB2  PRO  42           2HB      PRO  42   6.202 -14.539   3.830
  303    HB3  PRO  42           1HB      PRO  42   6.282 -13.462   5.238
  304    HG2  PRO  42           2HG      PRO  42   4.207 -15.459   4.497
  305    HG3  PRO  42           1HG      PRO  42   4.848 -15.032   6.091
  306    HD2  PRO  42           2HD      PRO  42   2.441 -14.155   5.130
  307    HD3  PRO  42           1HD      PRO  42   3.402 -13.283   6.347
  Start of MODEL   15
    1    H1   ILE   1           H        ILE   1   7.297  12.969 -10.500
    2    HA   ILE   1           HA       ILE   1   6.275  10.414 -10.974
    3    HB   ILE   1           HB       ILE   1   8.260  11.386  -8.899
    4   HG12  ILE   1          2HG1      ILE   1   9.125  10.091 -11.421
    5   HG13  ILE   1          1HG1      ILE   1   8.383  11.681 -11.605
    6   HG21  ILE   1          1HG2      ILE   1   8.103   9.213  -8.213
    7   HG22  ILE   1          2HG2      ILE   1   9.109   8.911  -9.629
    8   HG23  ILE   1          3HG2      ILE   1   7.364   8.684  -9.723
    9   HD11  ILE   1          3HD1      ILE   1  10.727  10.996  -9.807
   10   HD12  ILE   1          1HD1      ILE   1   9.945  12.575  -9.880
   11   HD13  ILE   1          2HD1      ILE   1  10.792  11.944 -11.293
   12    HA   PRO   2           HA       PRO   2   3.322  10.437  -7.560
   13    HB2  PRO   2           2HB      PRO   2   1.714   8.504  -8.628
   14    HB3  PRO   2           1HB      PRO   2   1.638  10.207  -9.126
   15    HG2  PRO   2           2HG      PRO   2   2.856   7.887 -10.505
   16    HG3  PRO   2           1HG      PRO   2   2.078   9.324 -11.180
   17    HD2  PRO   2           2HD      PRO   2   4.817   8.898 -11.022
   18    HD3  PRO   2           1HD      PRO   2   4.032  10.477 -11.254
   19    H    TYR   3           H        TYR   3   3.557   9.195  -5.728
   20    HA   TYR   3           HA       TYR   3   4.270   6.313  -5.986
   21    HB2  TYR   3           2HB      TYR   3   6.164   6.634  -4.451
   22    HB3  TYR   3           1HB      TYR   3   6.357   7.679  -5.864
   23    HD1  TYR   3           2HD      TYR   3   5.289  10.086  -5.645
   24    HD2  TYR   3           1HD      TYR   3   6.336   7.576  -2.320
   25    HE1  TYR   3           2HE      TYR   3   5.360  12.075  -4.164
   26    HE2  TYR   3           1HE      TYR   3   6.407   9.564  -0.841
   27    HH   TYR   3           HH       TYR   3   5.814  12.836  -2.130
   28    H    CYS   4           H        CYS   4   2.976   5.182  -4.581
   29    HA   CYS   4           HA       CYS   4   1.334   6.598  -2.615
   30    HB2  CYS   4           2HB      CYS   4   0.614   4.682  -4.076
   31    HB3  CYS   4           1HB      CYS   4   1.683   3.632  -3.145
   32    H    GLY   5           H        GLY   5   3.442   7.309  -1.419
   33    HA2  GLY   5           2HA      GLY   5   4.280   7.108   0.828
   34    HA3  GLY   5           1HA      GLY   5   3.860   5.393   0.802
   35    H    GLN   6           H        GLN   6   6.318   5.959   1.731
   36    HA   GLN   6           HA       GLN   6   8.401   6.095  -0.266
   37    HB2  GLN   6           2HB      GLN   6   8.227   6.440   2.402
   38    HB3  GLN   6           1HB      GLN   6   8.825   4.777   2.378
   39    HG2  GLN   6           2HG      GLN   6  10.677   5.507   0.872
   40    HG3  GLN   6           1HG      GLN   6  10.111   7.171   1.033
   41   HE21  GLN   6          1HE2      GLN   6  11.555   4.457   2.832
   42   HE22  GLN   6          2HE2      GLN   6  12.086   5.397   4.153
   43    H    THR   7           H        THR   7   6.675   3.435   1.327
   44    HA   THR   7           HA       THR   7   7.978   1.542  -0.594
   45    HB   THR   7           HB       THR   7   8.006  -0.059   1.406
   46    HG1  THR   7           1HG      THR   7   7.660   2.392   2.788
   47   HG21  THR   7          3HG2      THR   7   9.687   2.433   1.219
   48   HG22  THR   7          1HG2      THR   7  10.109   0.780   0.768
   49   HG23  THR   7          2HG2      THR   7   9.995   1.229   2.470
   50    H    GLY   8           H        GLY   8   6.689  -0.740  -0.088
   51    HA2  GLY   8           2HA      GLY   8   3.956  -0.196  -0.927
   52    HA3  GLY   8           1HA      GLY   8   4.655  -1.796  -0.650
   53    H    ALA   9           H        ALA   9   5.550  -1.023   2.090
   54    HA   ALA   9           HA       ALA   9   3.307  -1.945   3.588
   55    HB1  ALA   9           1HB      ALA   9   6.038  -1.201   3.956
   56    HB2  ALA   9           2HB      ALA   9   5.013  -2.119   5.059
   57    HB3  ALA   9           3HB      ALA   9   5.092  -0.362   5.187
   58    H    GLU  10           H        GLU  10   4.256   1.272   2.563
   59    HA   GLU  10           HA       GLU  10   2.557   2.697   4.462
   60    HB2  GLU  10           2HB      GLU  10   3.937   3.466   1.868
   61    HB3  GLU  10           1HB      GLU  10   3.172   4.615   2.967
   62    HG2  GLU  10           2HG      GLU  10   5.033   2.772   4.304
   63    HG3  GLU  10           1HG      GLU  10   5.808   3.819   3.111
   64    H    CYS  11           H        CYS  11   2.191   1.360   1.223
   65    HA   CYS  11           HA       CYS  11  -0.409   2.723   0.816
   66    HB2  CYS  11           2HB      CYS  11   1.557   2.149  -0.869
   67    HB3  CYS  11           1HB      CYS  11   0.736   0.590  -0.960
   68    H    TYR  12           H        TYR  12   0.880  -0.379   1.803
   69    HA   TYR  12           HA       TYR  12  -1.202  -2.168   1.284
   70    HB2  TYR  12           2HB      TYR  12   0.600  -3.170   2.297
   71    HB3  TYR  12           1HB      TYR  12   0.933  -1.769   3.313
   72    HD1  TYR  12           1HD      TYR  12  -1.881  -4.235   2.890
   73    HD2  TYR  12           2HD      TYR  12   0.728  -2.156   5.594
   74    HE1  TYR  12           1HE      TYR  12  -2.969  -5.367   4.808
   75    HE2  TYR  12           2HE      TYR  12  -0.364  -3.285   7.512
   76    HH   TYR  12           HH       TYR  12  -2.919  -4.394   7.786
   77    H    SER  13           H        SER  13  -0.922  -0.023   4.153
   78    HA   SER  13           HA       SER  13  -3.210  -0.720   5.558
   79    HB2  SER  13           2HB      SER  13  -3.211   1.935   5.920
   80    HB3  SER  13           1HB      SER  13  -1.941   0.909   6.579
   81    HG   SER  13           HG       SER  13  -0.771   2.300   5.459
   82    H    TRP  14           H        TRP  14  -3.212   1.971   3.161
   83    HA   TRP  14           HA       TRP  14  -6.071   2.205   3.102
   84    HB2  TRP  14           2HB      TRP  14  -4.613   3.999   2.390
   85    HB3  TRP  14           1HB      TRP  14  -3.865   2.967   1.166
   86    HD1  TRP  14           HD       TRP  14  -7.429   4.225   2.030
   87    HE1  TRP  14           1HE      TRP  14  -8.665   4.700  -0.182
   88    HE3  TRP  14           3HE      TRP  14  -3.837   2.802  -1.305
   89    HZ2  TRP  14           2HZ      TRP  14  -8.190   4.498  -2.999
   90    HZ3  TRP  14           3HZ      TRP  14  -4.252   2.953  -3.743
   91    HH2  TRP  14           HH       TRP  14  -6.422   3.798  -4.594
   92    H    CYS  15           H        CYS  15  -3.789   0.451   1.007
   93    HA   CYS  15           HA       CYS  15  -5.544  -0.440  -1.002
   94    HB2  CYS  15           2HB      CYS  15  -3.318  -0.906  -1.393
   95    HB3  CYS  15           1HB      CYS  15  -2.998  -1.295   0.292
   96    H    ILE  16           H        ILE  16  -5.490  -1.296   2.353
   97    HA   ILE  16           HA       ILE  16  -6.882  -3.873   2.002
   98    HB   ILE  16           HB       ILE  16  -6.133  -2.122   4.365
   99   HG12  ILE  16          2HG1      ILE  16  -4.351  -3.327   2.948
  100   HG13  ILE  16          1HG1      ILE  16  -4.325  -3.630   4.684
  101   HG21  ILE  16          1HG2      ILE  16  -7.387  -4.881   4.289
  102   HG22  ILE  16          2HG2      ILE  16  -8.088  -3.418   4.984
  103   HG23  ILE  16          3HG2      ILE  16  -6.671  -4.157   5.729
  104   HD11  ILE  16          3HD1      ILE  16  -5.768  -5.412   2.708
  105   HD12  ILE  16          1HD1      ILE  16  -5.439  -5.744   4.409
  106   HD13  ILE  16          2HD1      ILE  16  -4.115  -5.702   3.246
  107    H    LYS  17           H        LYS  17  -7.734  -0.533   2.258
  108    HA   LYS  17           HA       LYS  17 -10.153  -0.440   3.607
  109    HB2  LYS  17           2HB      LYS  17  -9.306   0.758   0.955
  110    HB3  LYS  17           1HB      LYS  17 -10.763   1.261   1.811
  111    HG2  LYS  17           2HG      LYS  17  -8.211   1.194   3.360
  112    HG3  LYS  17           1HG      LYS  17  -8.421   2.495   2.188
  113    HD2  LYS  17           2HD      LYS  17  -9.675   3.581   3.711
  114    HD3  LYS  17           1HD      LYS  17 -10.881   2.304   3.552
  115    HE2  LYS  17           2HE      LYS  17  -8.951   1.154   5.201
  116    HE3  LYS  17           1HE      LYS  17  -9.047   2.835   5.768
  117    HZ1  LYS  17           3HZ      LYS  17 -11.134   0.784   5.679
  118    HZ2  LYS  17           1HZ      LYS  17 -11.600   2.385   5.369
  119    HZ3  LYS  17           2HZ      LYS  17 -10.851   1.990   6.842
  120    H    GLN  18           H        GLN  18  -9.631  -1.661   0.292
  121    HA   GLN  18           HA       GLN  18 -12.349  -2.206  -0.361
  122    HB2  GLN  18           2HB      GLN  18  -9.881  -3.808  -1.114
  123    HB3  GLN  18           1HB      GLN  18 -11.369  -3.659  -2.048
  124    HG2  GLN  18           2HG      GLN  18  -9.292  -1.523  -1.512
  125    HG3  GLN  18           1HG      GLN  18  -9.816  -2.164  -3.071
  126   HE21  GLN  18          1HE2      GLN  18  -9.955   0.671  -1.845
  127   HE22  GLN  18          2HE2      GLN  18 -11.577   1.123  -2.058
  128    H    ASP  19           H        ASP  19 -10.068  -3.836   1.721
  129    HA   ASP  19           HA       ASP  19 -10.302  -5.723   3.119
  130    HB2  ASP  19           2HB      ASP  19 -12.481  -4.084   3.328
  131    HB3  ASP  19           1HB      ASP  19 -13.252  -5.617   2.904
  132    H    LEU  20           H        LEU  20  -9.970  -6.385   0.352
  133    HA   LEU  20           HA       LEU  20 -12.025  -8.321  -0.445
  134    HB2  LEU  20           2HB      LEU  20  -9.180  -8.178  -1.447
  135    HB3  LEU  20           1HB      LEU  20 -10.622  -8.649  -2.337
  136    HG   LEU  20           HG       LEU  20  -9.809  -5.877  -1.454
  137   HD11  LEU  20          1HD1      LEU  20 -10.782  -6.022  -4.115
  138   HD12  LEU  20          2HD1      LEU  20  -9.702  -7.400  -3.895
  139   HD13  LEU  20          3HD1      LEU  20  -9.117  -5.764  -3.592
  140   HD21  LEU  20          3HD2      LEU  20 -12.503  -7.003  -2.155
  141   HD22  LEU  20          1HD2      LEU  20 -12.106  -5.360  -2.658
  142   HD23  LEU  20          2HD2      LEU  20 -12.086  -5.789  -0.948
  143    H    SER  21           H        SER  21  -8.840  -8.416   1.087
  144    HA   SER  21           HA       SER  21  -9.216 -10.702   2.664
  145    HB2  SER  21           2HB      SER  21  -9.600 -12.119   0.851
  146    HB3  SER  21           1HB      SER  21  -8.540 -11.205  -0.217
  147    HG   SER  21           HG       SER  21  -7.504 -12.525   2.043
  148    H    LYS  22           H        LYS  22  -7.396 -10.859   3.980
  149    HA   LYS  22           HA       LYS  22  -5.299  -9.000   3.918
  150    HB2  LYS  22           2HB      LYS  22  -5.733 -11.733   5.087
  151    HB3  LYS  22           1HB      LYS  22  -4.153 -10.971   5.271
  152    HG2  LYS  22           2HG      LYS  22  -4.935  -9.414   6.737
  153    HG3  LYS  22           1HG      LYS  22  -6.445  -9.200   5.849
  154    HD2  LYS  22           2HD      LYS  22  -6.895 -10.197   8.047
  155    HD3  LYS  22           1HD      LYS  22  -7.270 -11.353   6.769
  156    HE2  LYS  22           2HE      LYS  22  -4.566 -11.816   7.305
  157    HE3  LYS  22           1HE      LYS  22  -5.294 -11.567   8.904
  158    HZ1  LYS  22           3HZ      LYS  22  -6.191 -13.441   6.785
  159    HZ2  LYS  22           1HZ      LYS  22  -7.137 -13.055   8.139
  160    HZ3  LYS  22           2HZ      LYS  22  -5.639 -13.832   8.344
  161    H    ASP  23           H        ASP  23  -5.694 -11.849   1.965
  162    HA   ASP  23           HA       ASP  23  -2.826 -11.959   1.225
  163    HB2  ASP  23           2HB      ASP  23  -4.574 -13.894   1.582
  164    HB3  ASP  23           1HB      ASP  23  -5.061 -13.502  -0.068
  165    H    TRP  24           H        TRP  24  -5.693 -10.378   0.205
  166    HA   TRP  24           HA       TRP  24  -5.049 -10.214  -2.638
  167    HB2  TRP  24           2HB      TRP  24  -7.219  -9.560  -2.643
  168    HB3  TRP  24           1HB      TRP  24  -7.220  -9.714  -0.887
  169    HD1  TRP  24           HD       TRP  24  -7.313  -7.527   0.518
  170    HE1  TRP  24           1HE      TRP  24  -7.467  -5.021  -0.066
  171    HE3  TRP  24           3HE      TRP  24  -6.415  -7.740  -4.493
  172    HZ2  TRP  24           2HZ      TRP  24  -7.240  -3.329  -2.366
  173    HZ3  TRP  24           3HZ      TRP  24  -6.386  -5.674  -5.863
  174    HH2  TRP  24           HH       TRP  24  -6.799  -3.469  -4.805
  175    H    CYS  25           H        CYS  25  -5.041  -7.826   0.026
  176    HA   CYS  25           HA       CYS  25  -3.812  -5.713  -1.432
  177    HB2  CYS  25           2HB      CYS  25  -5.047  -5.641   0.765
  178    HB3  CYS  25           1HB      CYS  25  -3.611  -6.336   1.527
  179    H    CYS  26           H        CYS  26  -2.349  -8.146   0.751
  180    HA   CYS  26           HA       CYS  26   0.301  -7.357   0.795
  181    HB2  CYS  26           2HB      CYS  26  -1.061 -10.036   0.533
  182    HB3  CYS  26           1HB      CYS  26   0.693  -9.932   0.684
  183    H    ASP  27           H        ASP  27  -1.455  -8.800  -1.920
  184    HA   ASP  27           HA       ASP  27   0.975  -9.017  -3.571
  185    HB2  ASP  27           2HB      ASP  27  -0.799 -10.685  -3.719
  186    HB3  ASP  27           1HB      ASP  27  -1.987  -9.432  -4.085
  187    H    PHE  28           H        PHE  28  -1.764  -6.823  -3.178
  188    HA   PHE  28           HA       PHE  28  -1.481  -5.365  -5.630
  189    HB2  PHE  28           2HB      PHE  28  -3.489  -5.142  -4.404
  190    HB3  PHE  28           1HB      PHE  28  -2.632  -4.833  -2.891
  191    HD1  PHE  28           2HD      PHE  28  -3.693  -3.385  -6.122
  192    HD2  PHE  28           1HD      PHE  28  -1.737  -2.636  -2.372
  193    HE1  PHE  28           2HE      PHE  28  -3.813  -0.944  -6.546
  194    HE2  PHE  28           1HE      PHE  28  -1.857  -0.197  -2.797
  195    HZ   PHE  28           HZ       PHE  28  -2.895   0.650  -4.884
  196    H    VAL  29           H        VAL  29   0.151  -5.064  -2.488
  197    HA   VAL  29           HA       VAL  29   1.311  -2.478  -2.921
  198    HB   VAL  29           HB       VAL  29   2.619  -3.012  -1.020
  199   HG11  VAL  29          1HG1      VAL  29  -0.086  -3.657  -1.069
  200   HG12  VAL  29          2HG1      VAL  29   0.899  -3.435   0.377
  201   HG13  VAL  29          3HG1      VAL  29   0.660  -5.051  -0.289
  202   HG21  VAL  29          3HG2      VAL  29   3.715  -5.004  -2.027
  203   HG22  VAL  29          1HG2      VAL  29   2.252  -5.942  -1.718
  204   HG23  VAL  29          2HG2      VAL  29   3.191  -5.304  -0.368
  205    H    LYS  30           H        LYS  30   2.457  -5.758  -3.737
  206    HA   LYS  30           HA       LYS  30   4.952  -4.732  -4.889
  207    HB2  LYS  30           2HB      LYS  30   5.543  -6.963  -4.894
  208    HB3  LYS  30           1HB      LYS  30   4.221  -7.053  -3.734
  209    HG2  LYS  30           2HG      LYS  30   2.767  -7.377  -5.939
  210    HG3  LYS  30           1HG      LYS  30   4.306  -7.949  -6.587
  211    HD2  LYS  30           2HD      LYS  30   4.281  -9.242  -4.202
  212    HD3  LYS  30           1HD      LYS  30   2.551  -9.166  -4.538
  213    HE2  LYS  30           2HE      LYS  30   2.749 -10.425  -6.518
  214    HE3  LYS  30           1HE      LYS  30   4.480 -10.067  -6.680
  215    HZ1  LYS  30           3HZ      LYS  30   3.494 -12.301  -5.537
  216    HZ2  LYS  30           1HZ      LYS  30   3.739 -11.313  -4.181
  217    HZ3  LYS  30           2HZ      LYS  30   5.035 -11.660  -5.224
  218    H    ASP  31           H        ASP  31   1.718  -5.395  -5.974
  219    HA   ASP  31           HA       ASP  31   2.214  -5.847  -8.761
  220    HB2  ASP  31           2HB      ASP  31   0.065  -5.707  -6.992
  221    HB3  ASP  31           1HB      ASP  31  -0.220  -4.360  -8.096
  222    H    ILE  32           H        ILE  32   2.061  -2.922  -6.803
  223    HA   ILE  32           HA       ILE  32   2.023  -1.145  -9.154
  224    HB   ILE  32           HB       ILE  32   2.070   0.596  -7.387
  225   HG12  ILE  32          2HG1      ILE  32   2.131  -1.670  -5.389
  226   HG13  ILE  32          1HG1      ILE  32   3.606  -0.852  -5.906
  227   HG21  ILE  32          1HG2      ILE  32   0.062  -0.579  -6.013
  228   HG22  ILE  32          2HG2      ILE  32   0.164  -1.690  -7.380
  229   HG23  ILE  32          3HG2      ILE  32  -0.138   0.025  -7.657
  230   HD11  ILE  32          3HD1      ILE  32   2.198   1.324  -5.341
  231   HD12  ILE  32          1HD1      ILE  32   3.045   0.444  -4.069
  232   HD13  ILE  32          2HD1      ILE  32   1.313   0.207  -4.301
  233    H    ARG  33           H        ARG  33   4.347  -3.087  -8.363
  234    HA   ARG  33           HA       ARG  33   6.681  -3.018  -8.764
  235    HB2  ARG  33           2HB      ARG  33   5.664  -1.071 -10.290
  236    HB3  ARG  33           1HB      ARG  33   6.552  -0.056  -9.152
  237    HG2  ARG  33           2HG      ARG  33   7.869  -2.431 -10.463
  238    HG3  ARG  33           1HG      ARG  33   7.804  -0.866 -11.273
  239    HD2  ARG  33           2HD      ARG  33   8.975  -1.361  -8.510
  240    HD3  ARG  33           1HD      ARG  33   9.906  -1.064  -9.992
  241    HE   ARG  33           HE       ARG  33   8.400   0.946  -8.488
  242   HH11  ARG  33          1HH2      ARG  33   9.684  -0.047 -11.539
  243   HH12  ARG  33          2HH2      ARG  33   9.757   1.562 -12.174
  244   HH21  ARG  33          1HH1      ARG  33   8.490   3.046  -9.313
  245   HH22  ARG  33          2HH1      ARG  33   9.083   3.308 -10.919
  246    H    MET  34           H        MET  34   6.234  -3.203  -6.179
  247    HA   MET  34           HA       MET  34   8.083  -1.207  -4.958
  248    HB2  MET  34           2HB      MET  34   5.242  -1.863  -4.189
  249    HB3  MET  34           1HB      MET  34   6.378  -1.256  -2.984
  250    HG2  MET  34           2HG      MET  34   5.910   0.140  -5.625
  251    HG3  MET  34           1HG      MET  34   4.981   0.517  -4.171
  252    HE1  MET  34           3HE      MET  34   6.091   2.998  -5.028
  253    HE2  MET  34           1HE      MET  34   6.969   3.555  -3.597
  254    HE3  MET  34           2HE      MET  34   5.452   2.673  -3.419
  255    H    ASN  35           H        ASN  35   8.337  -2.058  -2.469
  256    HA   ASN  35           HA       ASN  35   9.145  -4.910  -2.745
  257    HB2  ASN  35           2HB      ASN  35  10.418  -2.667  -1.841
  258    HB3  ASN  35           1HB      ASN  35   9.829  -3.352  -0.325
  259   HD21  ASN  35          1HD2      ASN  35  12.511  -3.389  -2.239
  260   HD22  ASN  35          2HD2      ASN  35  13.082  -4.964  -1.922
  261    HA   PRO  36           HA       PRO  36   5.596  -5.868  -0.208
  262    HB2  PRO  36           2HB      PRO  36   6.000  -8.565  -0.170
  263    HB3  PRO  36           1HB      PRO  36   5.281  -7.715  -1.554
  264    HG2  PRO  36           2HG      PRO  36   8.042  -8.747  -1.187
  265    HG3  PRO  36           1HG      PRO  36   7.049  -8.670  -2.651
  266    HD2  PRO  36           2HD      PRO  36   9.085  -6.917  -2.059
  267    HD3  PRO  36           1HD      PRO  36   7.729  -6.553  -3.147
  268    HA   PRO  37           HA       PRO  37   8.084  -6.258   3.504
  269    HB2  PRO  37           2HB      PRO  37   6.252  -5.113   5.180
  270    HB3  PRO  37           1HB      PRO  37   7.324  -4.161   4.135
  271    HG2  PRO  37           2HG      PRO  37   4.449  -4.760   3.840
  272    HG3  PRO  37           1HG      PRO  37   5.376  -3.359   3.288
  273    HD2  PRO  37           2HD      PRO  37   4.530  -5.517   1.710
  274    HD3  PRO  37           1HD      PRO  37   5.725  -4.281   1.255
  275    H    ALA  38           H        ALA  38   8.119  -8.191   4.610
  276    HA   ALA  38           HA       ALA  38   5.675  -9.839   4.748
  277    HB1  ALA  38           1HB      ALA  38   8.336 -10.322   4.358
  278    HB2  ALA  38           2HB      ALA  38   7.188 -11.549   4.896
  279    HB3  ALA  38           3HB      ALA  38   8.180 -10.691   6.075
  280    H    ASP  39           H        ASP  39   5.905  -7.336   6.411
  281    HA   ASP  39           HA       ASP  39   5.811  -8.584   9.139
  282    HB2  ASP  39           2HB      ASP  39   7.432  -6.613   8.247
  283    HB3  ASP  39           1HB      ASP  39   6.052  -5.641   8.757
  284    H    LYS  40           H        LYS  40   4.170  -6.441   6.845
  285    HA   LYS  40           HA       LYS  40   1.885  -6.129   8.741
  286    HB2  LYS  40           2HB      LYS  40   2.223  -4.864   6.017
  287    HB3  LYS  40           1HB      LYS  40   1.302  -4.264   7.394
  288    HG2  LYS  40           2HG      LYS  40   4.316  -4.441   7.181
  289    HG3  LYS  40           1HG      LYS  40   3.347  -2.970   7.207
  290    HD2  LYS  40           2HD      LYS  40   2.462  -3.845   9.484
  291    HD3  LYS  40           1HD      LYS  40   3.865  -4.915   9.450
  292    HE2  LYS  40           2HE      LYS  40   4.337  -2.021   8.853
  293    HE3  LYS  40           1HE      LYS  40   4.033  -2.479  10.542
  294    HZ1  LYS  40           3HZ      LYS  40   6.117  -3.525   8.713
  295    HZ2  LYS  40           1HZ      LYS  40   5.667  -4.346  10.126
  296    HZ3  LYS  40           2HZ      LYS  40   6.328  -2.784  10.227
  297    H    CYS  41           H        CYS  41   2.623  -8.609   7.024
  298    HA   CYS  41           HA       CYS  41   0.017  -8.804   5.545
  299    HB2  CYS  41           2HB      CYS  41   2.830  -9.599   4.985
  300    HB3  CYS  41           1HB      CYS  41   1.578 -10.729   4.453
  301    HA   PRO  42           HA       PRO  42   0.122 -11.928   8.988
  302    HB2  PRO  42           2HB      PRO  42  -2.261 -11.214  10.123
  303    HB3  PRO  42           1HB      PRO  42  -0.716 -10.462  10.568
  304    HG2  PRO  42           2HG      PRO  42  -2.882  -9.439   8.813
  305    HG3  PRO  42           1HG      PRO  42  -1.823  -8.566   9.930
  306    HD2  PRO  42           2HD      PRO  42  -1.493  -8.630   7.198
  307    HD3  PRO  42           1HD      PRO  42  -0.193  -8.291   8.363
  Start of MODEL   16
    1    H1   ILE   1           H        ILE   1  10.976   9.796  -4.655
    2    HA   ILE   1           HA       ILE   1   8.648  11.426  -5.587
    3    HB   ILE   1           HB       ILE   1   8.763  10.182  -7.725
    4   HG12  ILE   1          2HG1      ILE   1  11.460   9.206  -7.505
    5   HG13  ILE   1          1HG1      ILE   1  10.488   8.513  -6.206
    6   HG21  ILE   1          1HG2      ILE   1  10.101  11.819  -8.512
    7   HG22  ILE   1          2HG2      ILE   1  11.513  11.111  -7.725
    8   HG23  ILE   1          3HG2      ILE   1  10.475  12.228  -6.837
    9   HD11  ILE   1          3HD1      ILE   1   8.917   8.479  -8.592
   10   HD12  ILE   1          1HD1      ILE   1   9.525   7.106  -7.668
   11   HD13  ILE   1          2HD1      ILE   1  10.497   7.792  -8.969
   12    HA   PRO   2           HA       PRO   2   7.643   7.341  -3.498
   13    HB2  PRO   2           2HB      PRO   2   6.585   8.352  -1.187
   14    HB3  PRO   2           1HB      PRO   2   8.309   7.965  -1.373
   15    HG2  PRO   2           2HG      PRO   2   6.940  10.595  -1.449
   16    HG3  PRO   2           1HG      PRO   2   8.541  10.170  -0.827
   17    HD2  PRO   2           2HD      PRO   2   8.069  11.393  -3.255
   18    HD3  PRO   2           1HD      PRO   2   9.538  10.474  -2.851
   19    H    TYR   3           H        TYR   3   5.230   7.224  -2.146
   20    HA   TYR   3           HA       TYR   3   3.291   8.711  -3.870
   21    HB2  TYR   3           2HB      TYR   3   2.570   5.936  -3.165
   22    HB3  TYR   3           1HB      TYR   3   2.404   6.777  -4.706
   23    HD1  TYR   3           2HD      TYR   3   4.883   5.110  -2.470
   24    HD2  TYR   3           1HD      TYR   3   3.966   6.426  -6.453
   25    HE1  TYR   3           2HE      TYR   3   6.889   3.933  -3.318
   26    HE2  TYR   3           1HE      TYR   3   5.973   5.245  -7.306
   27    HH   TYR   3           HH       TYR   3   7.381   3.126  -6.392
   28    H    CYS   4           H        CYS   4   3.592   6.558  -1.075
   29    HA   CYS   4           HA       CYS   4   1.889   8.382   0.514
   30    HB2  CYS   4           2HB      CYS   4   0.672   6.018   1.123
   31    HB3  CYS   4           1HB      CYS   4   0.067   7.139  -0.089
   32    H    GLY   5           H        GLY   5   4.723   7.369   0.607
   33    HA2  GLY   5           2HA      GLY   5   5.435   7.335   3.168
   34    HA3  GLY   5           1HA      GLY   5   4.701   5.734   3.091
   35    H    GLN   6           H        GLN   6   5.822   5.969   0.095
   36    HA   GLN   6           HA       GLN   6   7.818   5.342  -1.017
   37    HB2  GLN   6           2HB      GLN   6   8.621   7.040   0.837
   38    HB3  GLN   6           1HB      GLN   6   9.280   5.587   1.597
   39    HG2  GLN   6           2HG      GLN   6   9.894   5.559  -1.218
   40    HG3  GLN   6           1HG      GLN   6  10.418   7.091  -0.516
   41   HE21  GLN   6          1HE2      GLN   6  11.944   4.509  -1.350
   42   HE22  GLN   6          2HE2      GLN   6  12.903   4.162   0.018
   43    H    THR   7           H        THR   7   6.302   3.645   1.394
   44    HA   THR   7           HA       THR   7   8.100   1.266   1.010
   45    HB   THR   7           HB       THR   7   7.492   0.632   3.287
   46    HG1  THR   7           1HG      THR   7   5.697   1.357   4.051
   47   HG21  THR   7          3HG2      THR   7   7.987   3.338   4.070
   48   HG22  THR   7          1HG2      THR   7   8.889   3.013   2.591
   49   HG23  THR   7          2HG2      THR   7   9.124   1.992   4.009
   50    H    GLY   8           H        GLY   8   7.069  -0.553   0.212
   51    HA2  GLY   8           2HA      GLY   8   4.639  -0.552  -1.085
   52    HA3  GLY   8           1HA      GLY   8   5.299  -2.016  -0.348
   53    H    ALA   9           H        ALA   9   5.103  -1.318   2.377
   54    HA   ALA   9           HA       ALA   9   2.329  -1.904   2.899
   55    HB1  ALA   9           1HB      ALA   9   3.416  -1.040   5.273
   56    HB2  ALA   9           2HB      ALA   9   4.858  -1.458   4.349
   57    HB3  ALA   9           3HB      ALA   9   3.607  -2.669   4.626
   58    H    GLU  10           H        GLU  10   4.045   1.055   2.433
   59    HA   GLU  10           HA       GLU  10   2.713   2.908   4.041
   60    HB2  GLU  10           2HB      GLU  10   3.526   4.495   2.490
   61    HB3  GLU  10           1HB      GLU  10   4.634   3.135   2.337
   62    HG2  GLU  10           2HG      GLU  10   3.262   2.326   0.394
   63    HG3  GLU  10           1HG      GLU  10   2.312   3.804   0.517
   64    H    CYS  11           H        CYS  11   1.614   1.774   0.796
   65    HA   CYS  11           HA       CYS  11  -0.947   3.206   1.224
   66    HB2  CYS  11           2HB      CYS  11   0.721   2.315  -0.996
   67    HB3  CYS  11           1HB      CYS  11  -0.971   1.874  -1.235
   68    H    TYR  12           H        TYR  12   0.386  -0.012   1.355
   69    HA   TYR  12           HA       TYR  12  -1.683  -1.740   0.775
   70    HB2  TYR  12           2HB      TYR  12   0.415  -2.536   1.606
   71    HB3  TYR  12           1HB      TYR  12   0.236  -1.632   3.114
   72    HD1  TYR  12           1HD      TYR  12  -2.690  -3.280   1.665
   73    HD2  TYR  12           2HD      TYR  12   0.574  -3.721   4.425
   74    HE1  TYR  12           1HE      TYR  12  -3.823  -5.231   2.695
   75    HE2  TYR  12           2HE      TYR  12  -0.562  -5.670   5.454
   76    HH   TYR  12           HH       TYR  12  -3.410  -7.097   4.032
   77    H    SER  13           H        SER  13  -1.354   0.055   3.872
   78    HA   SER  13           HA       SER  13  -3.571  -0.848   5.275
   79    HB2  SER  13           2HB      SER  13  -2.565   1.989   4.883
   80    HB3  SER  13           1HB      SER  13  -3.629   1.486   6.192
   81    HG   SER  13           HG       SER  13  -1.029   1.402   6.167
   82    H    TRP  14           H        TRP  14  -3.675   1.970   3.055
   83    HA   TRP  14           HA       TRP  14  -6.533   2.153   2.980
   84    HB2  TRP  14           2HB      TRP  14  -5.371   4.060   2.284
   85    HB3  TRP  14           1HB      TRP  14  -4.185   3.122   1.373
   86    HD1  TRP  14           HD       TRP  14  -7.656   4.659   1.103
   87    HE1  TRP  14           1HE      TRP  14  -8.414   4.585  -1.361
   88    HE3  TRP  14           3HE      TRP  14  -3.927   1.789  -0.880
   89    HZ2  TRP  14           2HZ      TRP  14  -7.550   3.455  -3.847
   90    HZ3  TRP  14           3HZ      TRP  14  -3.920   1.228  -3.293
   91    HH2  TRP  14           HH       TRP  14  -5.724   2.056  -4.778
   92    H    CYS  15           H        CYS  15  -4.180   0.503   0.873
   93    HA   CYS  15           HA       CYS  15  -5.736  -0.402  -1.232
   94    HB2  CYS  15           2HB      CYS  15  -3.297  -0.818  -0.713
   95    HB3  CYS  15           1HB      CYS  15  -3.817  -2.095   0.389
   96    H    ILE  16           H        ILE  16  -5.708  -1.655   2.088
   97    HA   ILE  16           HA       ILE  16  -7.349  -3.959   1.690
   98    HB   ILE  16           HB       ILE  16  -7.196  -2.109   4.086
   99   HG12  ILE  16          2HG1      ILE  16  -5.269  -4.072   2.887
  100   HG13  ILE  16          1HG1      ILE  16  -4.942  -2.526   3.666
  101   HG21  ILE  16          1HG2      ILE  16  -8.870  -4.132   3.853
  102   HG22  ILE  16          2HG2      ILE  16  -7.956  -3.921   5.347
  103   HG23  ILE  16          3HG2      ILE  16  -7.428  -5.103   4.150
  104   HD11  ILE  16          3HD1      ILE  16  -5.851  -5.045   5.082
  105   HD12  ILE  16          1HD1      ILE  16  -5.497  -3.501   5.858
  106   HD13  ILE  16          2HD1      ILE  16  -4.204  -4.413   5.079
  107    H    LYS  17           H        LYS  17  -8.112  -0.599   1.537
  108    HA   LYS  17           HA       LYS  17 -10.697  -0.311   2.474
  109    HB2  LYS  17           2HB      LYS  17  -9.117   0.679   0.160
  110    HB3  LYS  17           1HB      LYS  17 -10.857   0.954   0.077
  111    HG2  LYS  17           2HG      LYS  17  -9.385   1.584   2.616
  112    HG3  LYS  17           1HG      LYS  17  -9.324   2.725   1.270
  113    HD2  LYS  17           2HD      LYS  17 -11.384   3.471   1.778
  114    HD3  LYS  17           1HD      LYS  17 -12.033   1.839   1.606
  115    HE2  LYS  17           2HE      LYS  17 -12.463   2.698   3.884
  116    HE3  LYS  17           1HE      LYS  17 -11.320   1.343   3.952
  117    HZ1  LYS  17           3HZ      LYS  17 -10.471   4.175   3.709
  118    HZ2  LYS  17           1HZ      LYS  17  -9.493   2.830   4.039
  119    HZ3  LYS  17           2HZ      LYS  17 -10.605   3.377   5.202
  120    H    GLN  18           H        GLN  18  -9.740  -1.879  -0.597
  121    HA   GLN  18           HA       GLN  18 -12.215  -2.422  -1.745
  122    HB2  GLN  18           2HB      GLN  18  -9.944  -4.410  -1.421
  123    HB3  GLN  18           1HB      GLN  18 -11.093  -4.324  -2.754
  124    HG2  GLN  18           2HG      GLN  18  -8.819  -2.452  -2.105
  125    HG3  GLN  18           1HG      GLN  18  -9.187  -3.260  -3.629
  126   HE21  GLN  18          1HE2      GLN  18  -9.126  -0.242  -2.442
  127   HE22  GLN  18          2HE2      GLN  18 -10.456   0.445  -3.241
  128    H    ASP  19           H        ASP  19 -10.816  -3.772   1.167
  129    HA   ASP  19           HA       ASP  19 -11.856  -4.965   2.909
  130    HB2  ASP  19           2HB      ASP  19 -14.024  -4.362   3.091
  131    HB3  ASP  19           1HB      ASP  19 -13.874  -3.637   1.492
  132    H    LEU  20           H        LEU  20 -10.700  -6.279   0.319
  133    HA   LEU  20           HA       LEU  20 -12.267  -8.752   0.094
  134    HB2  LEU  20           2HB      LEU  20  -9.401  -8.605  -0.729
  135    HB3  LEU  20           1HB      LEU  20 -10.768  -9.300  -1.586
  136    HG   LEU  20           HG       LEU  20  -9.963  -6.396  -1.395
  137   HD11  LEU  20          1HD1      LEU  20  -9.580  -6.572  -3.652
  138   HD12  LEU  20          2HD1      LEU  20 -10.867  -7.754  -3.885
  139   HD13  LEU  20          3HD1      LEU  20  -9.315  -8.261  -3.218
  140   HD21  LEU  20          3HD2      LEU  20 -12.100  -5.700  -1.657
  141   HD22  LEU  20          1HD2      LEU  20 -12.624  -7.330  -1.249
  142   HD23  LEU  20          2HD2      LEU  20 -12.381  -6.879  -2.934
  143    H    SER  21           H        SER  21  -8.995  -8.011   1.366
  144    HA   SER  21           HA       SER  21  -9.303  -9.531   3.776
  145    HB2  SER  21           2HB      SER  21  -9.515 -11.395   2.204
  146    HB3  SER  21           1HB      SER  21  -8.022 -10.919   1.401
  147    HG   SER  21           HG       SER  21  -7.339 -12.400   2.808
  148    H    LYS  22           H        LYS  22  -6.978 -10.132   4.647
  149    HA   LYS  22           HA       LYS  22  -5.306  -7.743   4.375
  150    HB2  LYS  22           2HB      LYS  22  -5.424  -8.570   6.554
  151    HB3  LYS  22           1HB      LYS  22  -5.436 -10.249   6.021
  152    HG2  LYS  22           2HG      LYS  22  -3.094 -10.255   5.631
  153    HG3  LYS  22           1HG      LYS  22  -2.999  -8.496   5.690
  154    HD2  LYS  22           2HD      LYS  22  -4.062  -9.023   8.143
  155    HD3  LYS  22           1HD      LYS  22  -3.063 -10.457   7.905
  156    HE2  LYS  22           2HE      LYS  22  -1.372  -8.448   7.055
  157    HE3  LYS  22           1HE      LYS  22  -2.234  -7.675   8.399
  158    HZ1  LYS  22           3HZ      LYS  22  -1.841  -9.732   9.699
  159    HZ2  LYS  22           1HZ      LYS  22  -0.413  -8.908   9.306
  160    HZ3  LYS  22           2HZ      LYS  22  -0.851 -10.304   8.443
  161    H    ASP  23           H        ASP  23  -5.305 -11.021   3.151
  162    HA   ASP  23           HA       ASP  23  -2.529 -10.800   2.139
  163    HB2  ASP  23           2HB      ASP  23  -3.038 -13.130   1.372
  164    HB3  ASP  23           1HB      ASP  23  -3.353 -12.909   3.093
  165    H    TRP  24           H        TRP  24  -5.686  -9.987   1.192
  166    HA   TRP  24           HA       TRP  24  -5.594 -10.482  -1.635
  167    HB2  TRP  24           2HB      TRP  24  -7.740  -9.921  -1.135
  168    HB3  TRP  24           1HB      TRP  24  -7.246  -9.187   0.391
  169    HD1  TRP  24           HD       TRP  24  -7.817  -6.718   0.520
  170    HE1  TRP  24           1HE      TRP  24  -8.025  -4.770  -1.159
  171    HE3  TRP  24           3HE      TRP  24  -6.643  -9.156  -3.795
  172    HZ2  TRP  24           2HZ      TRP  24  -7.723  -4.315  -3.972
  173    HZ3  TRP  24           3HZ      TRP  24  -6.607  -7.951  -5.962
  174    HH2  TRP  24           HH       TRP  24  -7.148  -5.533  -6.054
  175    H    CYS  25           H        CYS  25  -4.959  -7.518   0.285
  176    HA   CYS  25           HA       CYS  25  -3.917  -6.132  -2.090
  177    HB2  CYS  25           2HB      CYS  25  -4.707  -5.535   0.689
  178    HB3  CYS  25           1HB      CYS  25  -3.364  -4.559   0.087
  179    H    CYS  26           H        CYS  26  -2.613  -7.973   0.581
  180    HA   CYS  26           HA       CYS  26  -0.018  -7.029   0.898
  181    HB2  CYS  26           2HB      CYS  26  -1.338  -9.711   0.796
  182    HB3  CYS  26           1HB      CYS  26   0.425  -9.678   0.843
  183    H    ASP  27           H        ASP  27  -1.354  -8.845  -1.844
  184    HA   ASP  27           HA       ASP  27   1.235  -8.900  -3.259
  185    HB2  ASP  27           2HB      ASP  27  -1.596  -9.814  -3.824
  186    HB3  ASP  27           1HB      ASP  27  -0.306  -9.964  -5.018
  187    H    PHE  28           H        PHE  28  -1.841  -7.113  -3.393
  188    HA   PHE  28           HA       PHE  28  -1.692  -5.833  -5.865
  189    HB2  PHE  28           2HB      PHE  28  -3.552  -5.387  -4.479
  190    HB3  PHE  28           1HB      PHE  28  -2.534  -4.967  -3.099
  191    HD1  PHE  28           2HD      PHE  28  -1.412  -2.788  -2.972
  192    HD2  PHE  28           1HD      PHE  28  -3.989  -3.779  -6.260
  193    HE1  PHE  28           2HE      PHE  28  -1.486  -0.404  -3.625
  194    HE2  PHE  28           1HE      PHE  28  -4.066  -1.389  -6.918
  195    HZ   PHE  28           HZ       PHE  28  -2.815   0.302  -5.600
  196    H    VAL  29           H        VAL  29  -0.383  -4.370  -2.860
  197    HA   VAL  29           HA       VAL  29   1.105  -2.308  -4.024
  198    HB   VAL  29           HB       VAL  29   1.031  -2.270  -1.694
  199   HG11  VAL  29          1HG1      VAL  29   1.316  -5.205  -1.968
  200   HG12  VAL  29          2HG1      VAL  29   0.298  -4.264  -0.878
  201   HG13  VAL  29          3HG1      VAL  29   2.006  -4.499  -0.506
  202   HG21  VAL  29          3HG2      VAL  29   3.398  -1.958  -2.547
  203   HG22  VAL  29          1HG2      VAL  29   3.707  -3.633  -2.088
  204   HG23  VAL  29          2HG2      VAL  29   3.279  -2.447  -0.857
  205    H    LYS  30           H        LYS  30   2.075  -5.717  -3.592
  206    HA   LYS  30           HA       LYS  30   4.755  -5.475  -4.534
  207    HB2  LYS  30           2HB      LYS  30   3.832  -7.429  -3.363
  208    HB3  LYS  30           1HB      LYS  30   2.736  -7.739  -4.709
  209    HG2  LYS  30           2HG      LYS  30   4.798  -9.170  -4.753
  210    HG3  LYS  30           1HG      LYS  30   4.601  -8.177  -6.199
  211    HD2  LYS  30           2HD      LYS  30   6.365  -6.798  -5.664
  212    HD3  LYS  30           1HD      LYS  30   6.124  -6.993  -3.928
  213    HE2  LYS  30           2HE      LYS  30   6.878  -9.494  -5.297
  214    HE3  LYS  30           1HE      LYS  30   8.126  -8.233  -5.354
  215    HZ1  LYS  30           3HZ      LYS  30   6.639  -8.941  -2.886
  216    HZ2  LYS  30           1HZ      LYS  30   8.011  -7.954  -3.017
  217    HZ3  LYS  30           2HZ      LYS  30   8.141  -9.626  -3.289
  218    H    ASP  31           H        ASP  31   1.682  -5.480  -6.214
  219    HA   ASP  31           HA       ASP  31   2.764  -6.153  -8.840
  220    HB2  ASP  31           2HB      ASP  31   0.169  -4.960  -7.826
  221    HB3  ASP  31           1HB      ASP  31   0.451  -5.356  -9.520
  222    H    ILE  32           H        ILE  32   2.294  -3.179  -7.004
  223    HA   ILE  32           HA       ILE  32   2.707  -1.476  -9.382
  224    HB   ILE  32           HB       ILE  32   2.548   0.331  -7.610
  225   HG12  ILE  32          2HG1      ILE  32   1.788  -1.925  -5.751
  226   HG13  ILE  32          1HG1      ILE  32   3.434  -1.291  -5.807
  227   HG21  ILE  32          1HG2      ILE  32   0.500  -1.698  -8.289
  228   HG22  ILE  32          2HG2      ILE  32   0.447   0.057  -8.458
  229   HG23  ILE  32          3HG2      ILE  32   0.122  -0.687  -6.892
  230   HD11  ILE  32          3HD1      ILE  32   1.494  -0.270  -4.204
  231   HD12  ILE  32          1HD1      ILE  32   1.284   0.741  -5.632
  232   HD13  ILE  32          2HD1      ILE  32   2.846   0.681  -4.816
  233    H    ARG  33           H        ARG  33   4.866  -3.320  -8.670
  234    HA   ARG  33           HA       ARG  33   7.203  -3.317  -8.339
  235    HB2  ARG  33           2HB      ARG  33   6.603  -0.540  -9.401
  236    HB3  ARG  33           1HB      ARG  33   8.231  -1.218  -9.303
  237    HG2  ARG  33           2HG      ARG  33   7.854  -2.733 -10.994
  238    HG3  ARG  33           1HG      ARG  33   6.141  -2.895 -10.608
  239    HD2  ARG  33           2HD      ARG  33   5.837  -1.605 -12.467
  240    HD3  ARG  33           1HD      ARG  33   6.296  -0.257 -11.408
  241    HE   ARG  33           HE       ARG  33   8.740  -1.135 -12.138
  242   HH11  ARG  33          1HH2      ARG  33   5.857  -0.641 -13.991
  243   HH12  ARG  33          2HH2      ARG  33   6.710  -0.331 -15.463
  244   HH21  ARG  33          1HH1      ARG  33   9.849  -0.720 -14.053
  245   HH22  ARG  33          2HH1      ARG  33   8.961  -0.371 -15.498
  246    H    MET  34           H        MET  34   6.104  -3.116  -5.905
  247    HA   MET  34           HA       MET  34   7.692  -0.956  -4.558
  248    HB2  MET  34           2HB      MET  34   4.828  -1.616  -4.523
  249    HB3  MET  34           1HB      MET  34   5.530  -1.499  -2.907
  250    HG2  MET  34           2HG      MET  34   6.038   0.614  -5.004
  251    HG3  MET  34           1HG      MET  34   4.618   0.677  -3.956
  252    HE1  MET  34           3HE      MET  34   8.540   2.365  -3.296
  253    HE2  MET  34           1HE      MET  34   7.738   1.716  -4.732
  254    HE3  MET  34           2HE      MET  34   8.776   0.681  -3.756
  255    H    ASN  35           H        ASN  35   8.334  -1.589  -2.319
  256    HA   ASN  35           HA       ASN  35   8.792  -4.532  -2.140
  257    HB2  ASN  35           2HB      ASN  35  10.531  -2.520  -2.056
  258    HB3  ASN  35           1HB      ASN  35  10.064  -2.491  -0.354
  259   HD21  ASN  35          1HD2      ASN  35   9.574  -5.388  -0.152
  260   HD22  ASN  35          2HD2      ASN  35  11.101  -6.146  -0.221
  261    HA   PRO  36           HA       PRO  36   5.665  -4.175   1.096
  262    HB2  PRO  36           2HB      PRO  36   4.988  -6.819   1.065
  263    HB3  PRO  36           1HB      PRO  36   4.345  -5.647  -0.103
  264    HG2  PRO  36           2HG      PRO  36   6.460  -7.692  -0.447
  265    HG3  PRO  36           1HG      PRO  36   5.284  -7.074  -1.613
  266    HD2  PRO  36           2HD      PRO  36   7.956  -6.339  -1.488
  267    HD3  PRO  36           1HD      PRO  36   6.674  -5.415  -2.299
  268    HA   PRO  37           HA       PRO  37   8.121  -5.700   4.412
  269    HB2  PRO  37           2HB      PRO  37   6.218  -5.999   6.352
  270    HB3  PRO  37           1HB      PRO  37   6.797  -4.414   5.806
  271    HG2  PRO  37           2HG      PRO  37   4.279  -5.834   5.155
  272    HG3  PRO  37           1HG      PRO  37   4.587  -4.102   5.339
  273    HD2  PRO  37           2HD      PRO  37   4.338  -5.424   2.921
  274    HD3  PRO  37           1HD      PRO  37   5.135  -3.850   3.149
  275    H    ALA  38           H        ALA  38   8.895  -7.738   4.900
  276    HA   ALA  38           HA       ALA  38   7.342 -10.099   4.093
  277    HB1  ALA  38           1HB      ALA  38   9.673 -10.945   5.321
  278    HB2  ALA  38           2HB      ALA  38  10.104  -9.333   4.750
  279    HB3  ALA  38           3HB      ALA  38   9.521 -10.544   3.609
  280    H    ASP  39           H        ASP  39   7.385  -8.228   6.852
  281    HA   ASP  39           HA       ASP  39   6.983 -10.550   8.696
  282    HB2  ASP  39           2HB      ASP  39   8.578  -8.410   8.950
  283    HB3  ASP  39           1HB      ASP  39   7.098  -7.701   9.596
  284    H    LYS  40           H        LYS  40   5.261  -8.256   6.874
  285    HA   LYS  40           HA       LYS  40   2.905  -8.388   8.723
  286    HB2  LYS  40           2HB      LYS  40   4.189  -6.239   7.658
  287    HB3  LYS  40           1HB      LYS  40   2.968  -6.523   6.416
  288    HG2  LYS  40           2HG      LYS  40   1.335  -5.713   7.733
  289    HG3  LYS  40           1HG      LYS  40   1.815  -6.763   9.067
  290    HD2  LYS  40           2HD      LYS  40   3.806  -4.734   8.796
  291    HD3  LYS  40           1HD      LYS  40   2.228  -3.946   8.805
  292    HE2  LYS  40           2HE      LYS  40   1.783  -4.566  10.976
  293    HE3  LYS  40           1HE      LYS  40   2.636  -6.114  10.813
  294    HZ1  LYS  40           3HZ      LYS  40   3.922  -3.435  10.912
  295    HZ2  LYS  40           1HZ      LYS  40   4.732  -4.916  10.746
  296    HZ3  LYS  40           2HZ      LYS  40   3.900  -4.562  12.184
  297    H    CYS  41           H        CYS  41   3.978  -8.840   5.366
  298    HA   CYS  41           HA       CYS  41   1.313 -10.056   4.726
  299    HB2  CYS  41           2HB      CYS  41   3.439  -8.586   3.186
  300    HB3  CYS  41           1HB      CYS  41   2.343  -9.676   2.329
  301    HA   PRO  42           HA       PRO  42   4.522 -13.449   4.839
  302    HB2  PRO  42           2HB      PRO  42   3.094 -15.133   6.459
  303    HB3  PRO  42           1HB      PRO  42   4.206 -13.899   7.088
  304    HG2  PRO  42           2HG      PRO  42   1.236 -13.830   6.861
  305    HG3  PRO  42           1HG      PRO  42   2.283 -13.234   8.159
  306    HD2  PRO  42           2HD      PRO  42   1.161 -11.609   6.288
  307    HD3  PRO  42           1HD      PRO  42   2.710 -11.254   7.087
  Start of MODEL   17
    1    H1   ILE   1           H        ILE   1   0.120  10.162 -10.460
    2    HA   ILE   1           HA       ILE   1  -1.093  10.944  -8.559
    3    HB   ILE   1           HB       ILE   1  -2.523  10.097 -10.585
    4   HG12  ILE   1          2HG1      ILE   1  -3.394  11.817  -9.196
    5   HG13  ILE   1          1HG1      ILE   1  -4.639  10.569  -9.211
    6   HG21  ILE   1          1HG2      ILE   1  -2.446   7.738  -9.103
    7   HG22  ILE   1          2HG2      ILE   1  -3.533   8.092 -10.442
    8   HG23  ILE   1          3HG2      ILE   1  -4.050   8.393  -8.783
    9   HD11  ILE   1          3HD1      ILE   1  -3.858   9.715  -7.059
   10   HD12  ILE   1          1HD1      ILE   1  -4.202  11.438  -6.921
   11   HD13  ILE   1          2HD1      ILE   1  -2.534  10.882  -7.051
   12    HA   PRO   2           HA       PRO   2  -0.212   7.084  -5.980
   13    HB2  PRO   2           2HB      PRO   2   1.940   8.094  -4.609
   14    HB3  PRO   2           1HB      PRO   2   2.100   7.180  -6.125
   15    HG2  PRO   2           2HG      PRO   2   2.151  10.131  -5.681
   16    HG3  PRO   2           1HG      PRO   2   3.160   9.134  -6.742
   17    HD2  PRO   2           2HD      PRO   2   1.078  10.593  -7.666
   18    HD3  PRO   2           1HD      PRO   2   1.566   9.046  -8.400
   19    H    TYR   3           H        TYR   3  -2.197   7.726  -4.926
   20    HA   TYR   3           HA       TYR   3  -2.131  10.033  -3.080
   21    HB2  TYR   3           2HB      TYR   3  -4.057   9.701  -4.518
   22    HB3  TYR   3           1HB      TYR   3  -4.248   8.042  -3.940
   23    HD1  TYR   3           1HD      TYR   3  -4.652   7.702  -1.414
   24    HD2  TYR   3           2HD      TYR   3  -5.126  11.477  -3.405
   25    HE1  TYR   3           1HE      TYR   3  -6.052   8.517   0.462
   26    HE2  TYR   3           2HE      TYR   3  -6.528  12.292  -1.530
   27    HH   TYR   3           HH       TYR   3  -7.418  10.153   1.163
   28    H    CYS   4           H        CYS   4  -1.664   6.620  -2.941
   29    HA   CYS   4           HA       CYS   4  -2.452   6.384  -0.111
   30    HB2  CYS   4           2HB      CYS   4  -2.109   4.079  -0.470
   31    HB3  CYS   4           1HB      CYS   4  -2.620   4.654  -2.053
   32    H    GLY   5           H        GLY   5  -0.427   8.358  -0.579
   33    HA2  GLY   5           2HA      GLY   5   1.468   8.978   0.732
   34    HA3  GLY   5           1HA      GLY   5   1.684   7.280   1.170
   35    H    GLN   6           H        GLN   6   3.894   7.185   0.589
   36    HA   GLN   6           HA       GLN   6   4.377   7.140  -2.352
   37    HB2  GLN   6           2HB      GLN   6   6.302   8.568  -2.126
   38    HB3  GLN   6           1HB      GLN   6   4.979   9.371  -1.276
   39    HG2  GLN   6           2HG      GLN   6   6.686   7.509   0.319
   40    HG3  GLN   6           1HG      GLN   6   7.396   9.047  -0.159
   41   HE21  GLN   6          1HE2      GLN   6   7.100   8.916   2.496
   42   HE22  GLN   6          2HE2      GLN   6   5.723   9.762   3.041
   43    H    THR   7           H        THR   7   4.298   5.337   0.264
   44    HA   THR   7           HA       THR   7   6.800   3.835  -0.432
   45    HB   THR   7           HB       THR   7   7.112   3.434   1.937
   46    HG1  THR   7           1HG      THR   7   4.479   4.068   1.993
   47   HG21  THR   7          3HG2      THR   7   7.810   5.550   2.523
   48   HG22  THR   7          1HG2      THR   7   6.308   6.307   1.995
   49   HG23  THR   7          2HG2      THR   7   7.514   5.816   0.805
   50    H    GLY   8           H        GLY   8   6.345   1.749  -1.024
   51    HA2  GLY   8           2HA      GLY   8   3.737   0.689  -1.209
   52    HA3  GLY   8           1HA      GLY   8   5.206  -0.295  -1.212
   53    H    ALA   9           H        ALA   9   5.801   0.999   1.538
   54    HA   ALA   9           HA       ALA   9   4.691  -1.158   3.124
   55    HB1  ALA   9           1HB      ALA   9   5.941  -0.062   4.914
   56    HB2  ALA   9           2HB      ALA   9   6.062   1.416   3.958
   57    HB3  ALA   9           3HB      ALA   9   6.910  -0.041   3.441
   58    H    GLU  10           H        GLU  10   4.102   2.375   3.023
   59    HA   GLU  10           HA       GLU  10   1.969   2.220   5.001
   60    HB2  GLU  10           2HB      GLU  10   2.322   4.462   5.009
   61    HB3  GLU  10           1HB      GLU  10   3.652   4.142   3.905
   62    HG2  GLU  10           2HG      GLU  10   2.337   4.670   1.996
   63    HG3  GLU  10           1HG      GLU  10   0.828   4.583   2.910
   64    H    CYS  11           H        CYS  11   2.151   2.210   1.462
   65    HA   CYS  11           HA       CYS  11  -0.586   2.683   0.836
   66    HB2  CYS  11           2HB      CYS  11   1.622   2.355  -0.584
   67    HB3  CYS  11           1HB      CYS  11   1.107   0.670  -0.627
   68    H    TYR  12           H        TYR  12   1.123  -0.262   1.806
   69    HA   TYR  12           HA       TYR  12  -0.720  -2.283   1.328
   70    HB2  TYR  12           2HB      TYR  12   1.264  -2.946   2.294
   71    HB3  TYR  12           1HB      TYR  12   1.287  -1.611   3.434
   72    HD1  TYR  12           2HD      TYR  12  -0.958  -4.523   2.637
   73    HD2  TYR  12           1HD      TYR  12   1.020  -2.203   5.664
   74    HE1  TYR  12           2HE      TYR  12  -1.901  -6.003   4.387
   75    HE2  TYR  12           1HE      TYR  12   0.075  -3.683   7.414
   76    HH   TYR  12           HH       TYR  12  -1.881  -5.210   7.671
   77    H    SER  13           H        SER  13  -0.876   0.260   3.735
   78    HA   SER  13           HA       SER  13  -2.999  -0.847   5.341
   79    HB2  SER  13           2HB      SER  13  -2.936   1.287   6.387
   80    HB3  SER  13           1HB      SER  13  -1.294   1.033   5.802
   81    HG   SER  13           HG       SER  13  -1.552   2.614   4.435
   82    H    TRP  14           H        TRP  14  -2.997   0.998   2.328
   83    HA   TRP  14           HA       TRP  14  -5.827   1.730   2.503
   84    HB2  TRP  14           2HB      TRP  14  -4.166   3.069   1.292
   85    HB3  TRP  14           1HB      TRP  14  -3.818   1.701   0.228
   86    HD1  TRP  14           HD       TRP  14  -6.943   3.731   1.304
   87    HE1  TRP  14           1HE      TRP  14  -8.462   4.012  -0.758
   88    HE3  TRP  14           3HE      TRP  14  -4.239   1.108  -2.148
   89    HZ2  TRP  14           2HZ      TRP  14  -8.521   3.232  -3.512
   90    HZ3  TRP  14           3HZ      TRP  14  -5.051   0.893  -4.480
   91    HH2  TRP  14           HH       TRP  14  -7.185   1.950  -5.166
   92    H    CYS  15           H        CYS  15  -4.068  -0.387   0.196
   93    HA   CYS  15           HA       CYS  15  -6.159  -1.625  -1.114
   94    HB2  CYS  15           2HB      CYS  15  -4.594  -3.705  -0.977
   95    HB3  CYS  15           1HB      CYS  15  -3.944  -2.229  -1.691
   96    H    ILE  16           H        ILE  16  -5.217  -2.107   2.243
   97    HA   ILE  16           HA       ILE  16  -6.873  -4.484   2.640
   98    HB   ILE  16           HB       ILE  16  -5.613  -2.526   4.585
   99   HG12  ILE  16          2HG1      ILE  16  -4.092  -3.631   2.845
  100   HG13  ILE  16          1HG1      ILE  16  -3.661  -3.898   4.532
  101   HG21  ILE  16          1HG2      ILE  16  -7.066  -5.093   4.851
  102   HG22  ILE  16          2HG2      ILE  16  -6.862  -3.785   6.018
  103   HG23  ILE  16          3HG2      ILE  16  -5.574  -4.966   5.782
  104   HD11  ILE  16          3HD1      ILE  16  -5.110  -5.807   2.680
  105   HD12  ILE  16          1HD1      ILE  16  -4.976  -6.064   4.420
  106   HD13  ILE  16          2HD1      ILE  16  -3.525  -6.028   3.418
  107    H    LYS  17           H        LYS  17  -7.343  -1.027   2.792
  108    HA   LYS  17           HA       LYS  17  -9.676  -1.030   4.513
  109    HB2  LYS  17           2HB      LYS  17  -8.637   0.897   2.409
  110    HB3  LYS  17           1HB      LYS  17  -9.897   1.280   3.582
  111    HG2  LYS  17           2HG      LYS  17  -7.528   0.128   4.844
  112    HG3  LYS  17           1HG      LYS  17  -7.163   1.615   3.967
  113    HD2  LYS  17           2HD      LYS  17  -7.998   2.759   5.717
  114    HD3  LYS  17           1HD      LYS  17  -9.588   2.124   5.291
  115    HE2  LYS  17           2HE      LYS  17  -9.011   0.053   6.656
  116    HE3  LYS  17           1HE      LYS  17  -7.598   0.946   7.253
  117    HZ1  LYS  17           3HZ      LYS  17 -10.405   1.919   7.361
  118    HZ2  LYS  17           1HZ      LYS  17  -9.043   2.733   7.958
  119    HZ3  LYS  17           2HZ      LYS  17  -9.547   1.279   8.680
  120    H    GLN  18           H        GLN  18  -9.136  -1.492   1.060
  121    HA   GLN  18           HA       GLN  18 -11.681  -0.992  -0.015
  122    HB2  GLN  18           2HB      GLN  18  -9.679  -3.205  -0.576
  123    HB3  GLN  18           1HB      GLN  18 -11.001  -2.765  -1.660
  124    HG2  GLN  18           2HG      GLN  18  -8.976  -0.734  -0.700
  125    HG3  GLN  18           1HG      GLN  18  -8.714  -1.702  -2.155
  126   HE21  GLN  18          1HE2      GLN  18 -10.387   1.062  -0.876
  127   HE22  GLN  18          2HE2      GLN  18 -11.270   1.439  -2.275
  128    H    ASP  19           H        ASP  19 -10.682  -3.462   2.209
  129    HA   ASP  19           HA       ASP  19 -12.024  -4.952   3.474
  130    HB2  ASP  19           2HB      ASP  19 -13.752  -3.021   2.509
  131    HB3  ASP  19           1HB      ASP  19 -14.482  -4.525   1.935
  132    H    LEU  20           H        LEU  20 -10.568  -5.867   1.153
  133    HA   LEU  20           HA       LEU  20 -12.441  -7.824  -0.113
  134    HB2  LEU  20           2HB      LEU  20  -9.554  -7.692  -0.832
  135    HB3  LEU  20           1HB      LEU  20 -10.956  -7.843  -1.884
  136    HG   LEU  20           HG       LEU  20  -9.891  -5.337  -0.572
  137   HD11  LEU  20          1HD1      LEU  20 -10.134  -4.670  -3.110
  138   HD12  LEU  20          2HD1      LEU  20 -10.091  -6.415  -3.363
  139   HD13  LEU  20          3HD1      LEU  20  -8.737  -5.605  -2.576
  140   HD21  LEU  20          3HD2      LEU  20 -12.147  -4.874  -0.389
  141   HD22  LEU  20          1HD2      LEU  20 -12.588  -5.998  -1.671
  142   HD23  LEU  20          2HD2      LEU  20 -11.915  -4.418  -2.075
  143    H    SER  21           H        SER  21  -9.148  -7.792   1.274
  144    HA   SER  21           HA       SER  21  -9.460  -9.818   3.201
  145    HB2  SER  21           2HB      SER  21  -9.379 -10.710   0.386
  146    HB3  SER  21           1HB      SER  21  -8.260 -11.564   1.444
  147    HG   SER  21           HG       SER  21 -10.952 -11.740   1.271
  148    H    LYS  22           H        LYS  22  -7.454 -10.128   4.256
  149    HA   LYS  22           HA       LYS  22  -5.333  -8.348   3.918
  150    HB2  LYS  22           2HB      LYS  22  -5.908 -10.839   5.298
  151    HB3  LYS  22           1HB      LYS  22  -4.209 -10.761   4.831
  152    HG2  LYS  22           2HG      LYS  22  -3.826  -9.352   6.542
  153    HG3  LYS  22           1HG      LYS  22  -4.921  -8.185   5.799
  154    HD2  LYS  22           2HD      LYS  22  -6.840  -9.391   6.882
  155    HD3  LYS  22           1HD      LYS  22  -5.667 -10.394   7.735
  156    HE2  LYS  22           2HE      LYS  22  -4.717  -7.857   8.250
  157    HE3  LYS  22           1HE      LYS  22  -6.475  -7.616   8.274
  158    HZ1  LYS  22           3HZ      LYS  22  -6.356  -9.908   9.542
  159    HZ2  LYS  22           1HZ      LYS  22  -6.196  -8.434  10.365
  160    HZ3  LYS  22           2HZ      LYS  22  -4.812  -9.335   9.963
  161    H    ASP  23           H        ASP  23  -5.628 -11.617   2.499
  162    HA   ASP  23           HA       ASP  23  -3.103 -11.577   1.124
  163    HB2  ASP  23           2HB      ASP  23  -4.206 -13.459  -0.142
  164    HB3  ASP  23           1HB      ASP  23  -4.328 -13.622   1.610
  165    H    TRP  24           H        TRP  24  -6.194 -10.125   0.444
  166    HA   TRP  24           HA       TRP  24  -6.051  -9.902  -2.401
  167    HB2  TRP  24           2HB      TRP  24  -7.758  -9.197  -0.340
  168    HB3  TRP  24           1HB      TRP  24  -7.213  -7.628  -0.943
  169    HD1  TRP  24           HD       TRP  24  -9.737 -10.171  -1.568
  170    HE1  TRP  24           1HE      TRP  24 -10.790  -9.904  -3.906
  171    HE3  TRP  24           3HE      TRP  24  -6.402  -6.930  -3.664
  172    HZ2  TRP  24           2HZ      TRP  24 -10.285  -8.495  -6.344
  173    HZ3  TRP  24           3HZ      TRP  24  -6.712  -6.137  -5.993
  174    HH2  TRP  24           HH       TRP  24  -8.649  -6.912  -7.332
  175    H    CYS  25           H        CYS  25  -4.678  -7.900   0.208
  176    HA   CYS  25           HA       CYS  25  -3.615  -5.963  -1.755
  177    HB2  CYS  25           2HB      CYS  25  -4.489  -5.069   0.289
  178    HB3  CYS  25           1HB      CYS  25  -3.575  -6.229   1.259
  179    H    CYS  26           H        CYS  26  -2.478  -8.645   0.239
  180    HA   CYS  26           HA       CYS  26   0.251  -8.273   0.429
  181    HB2  CYS  26           2HB      CYS  26  -1.018 -10.266   1.161
  182    HB3  CYS  26           1HB      CYS  26  -1.218 -10.755  -0.521
  183    H    ASP  27           H        ASP  27  -1.459  -9.469  -2.480
  184    HA   ASP  27           HA       ASP  27   1.011  -9.353  -4.081
  185    HB2  ASP  27           2HB      ASP  27  -1.849 -10.207  -4.419
  186    HB3  ASP  27           1HB      ASP  27  -0.856  -9.957  -5.855
  187    H    PHE  28           H        PHE  28  -1.788  -7.324  -3.461
  188    HA   PHE  28           HA       PHE  28  -1.914  -5.764  -5.812
  189    HB2  PHE  28           2HB      PHE  28  -3.574  -5.489  -4.150
  190    HB3  PHE  28           1HB      PHE  28  -2.374  -5.246  -2.878
  191    HD1  PHE  28           2HD      PHE  28  -1.234  -3.115  -2.599
  192    HD2  PHE  28           1HD      PHE  28  -4.158  -3.670  -5.695
  193    HE1  PHE  28           2HE      PHE  28  -1.347  -0.662  -2.927
  194    HE2  PHE  28           1HE      PHE  28  -4.274  -1.214  -6.023
  195    HZ   PHE  28           HZ       PHE  28  -2.871   0.291  -4.639
  196    H    VAL  29           H        VAL  29  -0.228  -4.699  -2.820
  197    HA   VAL  29           HA       VAL  29   1.269  -2.649  -4.173
  198    HB   VAL  29           HB       VAL  29   0.750  -2.640  -1.769
  199   HG11  VAL  29          1HG1      VAL  29   2.754  -4.887  -1.468
  200   HG12  VAL  29          2HG1      VAL  29   1.016  -5.169  -1.541
  201   HG13  VAL  29          3HG1      VAL  29   1.698  -4.205  -0.230
  202   HG21  VAL  29          3HG2      VAL  29   3.729  -2.946  -1.846
  203   HG22  VAL  29          1HG2      VAL  29   2.755  -1.679  -1.103
  204   HG23  VAL  29          2HG2      VAL  29   2.983  -1.705  -2.851
  205    H    LYS  30           H        LYS  30   1.853  -6.065  -3.614
  206    HA   LYS  30           HA       LYS  30   4.698  -6.017  -4.198
  207    HB2  LYS  30           2HB      LYS  30   3.220  -7.744  -2.949
  208    HB3  LYS  30           1HB      LYS  30   2.794  -8.334  -4.556
  209    HG2  LYS  30           2HG      LYS  30   4.850  -9.254  -4.904
  210    HG3  LYS  30           1HG      LYS  30   5.688  -7.922  -4.104
  211    HD2  LYS  30           2HD      LYS  30   6.044  -9.581  -2.536
  212    HD3  LYS  30           1HD      LYS  30   4.501  -8.951  -1.952
  213    HE2  LYS  30           2HE      LYS  30   3.768 -11.106  -2.128
  214    HE3  LYS  30           1HE      LYS  30   3.729 -10.805  -3.876
  215    HZ1  LYS  30           3HZ      LYS  30   5.128 -12.690  -3.484
  216    HZ2  LYS  30           1HZ      LYS  30   6.014 -11.861  -2.296
  217    HZ3  LYS  30           2HZ      LYS  30   6.125 -11.385  -3.925
  218    H    ASP  31           H        ASP  31   1.788  -5.995  -6.105
  219    HA   ASP  31           HA       ASP  31   2.974  -7.068  -8.549
  220    HB2  ASP  31           2HB      ASP  31   0.418  -6.243  -7.487
  221    HB3  ASP  31           1HB      ASP  31   0.659  -5.523  -9.081
  222    H    ILE  32           H        ILE  32   2.882  -3.963  -7.006
  223    HA   ILE  32           HA       ILE  32   3.465  -2.517  -9.531
  224    HB   ILE  32           HB       ILE  32   3.376  -0.545  -7.933
  225   HG12  ILE  32          2HG1      ILE  32   2.355  -2.591  -5.948
  226   HG13  ILE  32          1HG1      ILE  32   4.021  -2.013  -5.932
  227   HG21  ILE  32          1HG2      ILE  32   0.912  -0.788  -7.534
  228   HG22  ILE  32          2HG2      ILE  32   1.040  -2.473  -8.038
  229   HG23  ILE  32          3HG2      ILE  32   1.397  -1.181  -9.183
  230   HD11  ILE  32          3HD1      ILE  32   2.905  -0.579  -4.419
  231   HD12  ILE  32          1HD1      ILE  32   1.486  -0.449  -5.456
  232   HD13  ILE  32          2HD1      ILE  32   2.986   0.358  -5.911
  233    H    ARG  33           H        ARG  33   5.380  -4.477  -8.282
  234    HA   ARG  33           HA       ARG  33   7.675  -4.610  -7.712
  235    HB2  ARG  33           2HB      ARG  33   7.236  -2.518  -9.795
  236    HB3  ARG  33           1HB      ARG  33   8.859  -2.660  -9.117
  237    HG2  ARG  33           2HG      ARG  33   7.796  -5.287  -9.675
  238    HG3  ARG  33           1HG      ARG  33   7.704  -4.281 -11.121
  239    HD2  ARG  33           2HD      ARG  33   9.936  -4.492 -11.432
  240    HD3  ARG  33           1HD      ARG  33  10.241  -3.835  -9.810
  241    HE   ARG  33           HE       ARG  33   9.285  -6.546  -9.624
  242   HH11  ARG  33          1HH2      ARG  33  12.024  -4.611 -10.448
  243   HH12  ARG  33          2HH2      ARG  33  13.176  -5.832 -10.023
  244   HH21  ARG  33          1HH1      ARG  33  10.782  -8.147  -9.068
  245   HH22  ARG  33          2HH1      ARG  33  12.476  -7.828  -9.243
  246    H    MET  34           H        MET  34   6.340  -3.354  -5.611
  247    HA   MET  34           HA       MET  34   8.053  -0.986  -4.955
  248    HB2  MET  34           2HB      MET  34   5.289  -1.917  -4.299
  249    HB3  MET  34           1HB      MET  34   6.139  -0.973  -3.075
  250    HG2  MET  34           2HG      MET  34   6.129  -0.013  -5.920
  251    HG3  MET  34           1HG      MET  34   4.706   0.261  -4.907
  252    HE1  MET  34           3HE      MET  34   5.281   2.345  -5.909
  253    HE2  MET  34           1HE      MET  34   6.757   3.290  -5.676
  254    HE3  MET  34           2HE      MET  34   5.394   3.495  -4.579
  255    H    ASN  35           H        ASN  35   7.989  -1.035  -2.225
  256    HA   ASN  35           HA       ASN  35   9.220  -3.685  -1.529
  257    HB2  ASN  35           2HB      ASN  35  10.917  -2.001  -1.681
  258    HB3  ASN  35           1HB      ASN  35   9.921  -0.828  -0.818
  259   HD21  ASN  35          1HD2      ASN  35  10.567  -0.579   1.318
  260   HD22  ASN  35          2HD2      ASN  35  11.246  -1.805   2.288
  261    HA   PRO  36           HA       PRO  36   5.694  -2.945   1.329
  262    HB2  PRO  36           2HB      PRO  36   4.750  -5.512   1.256
  263    HB3  PRO  36           1HB      PRO  36   4.288  -4.279   0.066
  264    HG2  PRO  36           2HG      PRO  36   6.218  -6.516  -0.179
  265    HG3  PRO  36           1HG      PRO  36   5.141  -5.811  -1.393
  266    HD2  PRO  36           2HD      PRO  36   7.848  -5.307  -1.209
  267    HD3  PRO  36           1HD      PRO  36   6.672  -4.248  -2.014
  268    HA   PRO  37           HA       PRO  37   7.627  -4.734   4.841
  269    HB2  PRO  37           2HB      PRO  37   5.503  -5.321   6.462
  270    HB3  PRO  37           1HB      PRO  37   6.032  -3.660   6.129
  271    HG2  PRO  37           2HG      PRO  37   3.737  -5.172   5.015
  272    HG3  PRO  37           1HG      PRO  37   3.887  -3.447   5.380
  273    HD2  PRO  37           2HD      PRO  37   4.069  -4.562   2.855
  274    HD3  PRO  37           1HD      PRO  37   4.710  -2.971   3.320
  275    H    ALA  38           H        ALA  38   8.395  -6.761   5.445
  276    HA   ALA  38           HA       ALA  38   7.155  -9.126   4.174
  277    HB1  ALA  38           1HB      ALA  38   9.730  -8.238   4.712
  278    HB2  ALA  38           2HB      ALA  38   9.301  -9.873   4.208
  279    HB3  ALA  38           3HB      ALA  38   9.484  -9.498   5.921
  280    H    ASP  39           H        ASP  39   5.761  -7.814   6.419
  281    HA   ASP  39           HA       ASP  39   5.566 -10.188   8.213
  282    HB2  ASP  39           2HB      ASP  39   6.525  -7.470   8.819
  283    HB3  ASP  39           1HB      ASP  39   5.248  -8.020   9.905
  284    H    LYS  40           H        LYS  40   4.007  -8.683   5.999
  285    HA   LYS  40           HA       LYS  40   1.453  -8.390   7.534
  286    HB2  LYS  40           2HB      LYS  40   1.414  -6.275   6.742
  287    HB3  LYS  40           1HB      LYS  40   2.954  -6.556   5.942
  288    HG2  LYS  40           2HG      LYS  40   0.351  -7.437   4.690
  289    HG3  LYS  40           1HG      LYS  40   0.976  -5.803   4.468
  290    HD2  LYS  40           2HD      LYS  40   3.193  -6.996   3.799
  291    HD3  LYS  40           1HD      LYS  40   2.171  -8.411   3.565
  292    HE2  LYS  40           2HE      LYS  40   2.335  -7.228   1.435
  293    HE3  LYS  40           1HE      LYS  40   0.694  -6.999   2.067
  294    HZ1  LYS  40           3HZ      LYS  40   1.090  -4.822   2.027
  295    HZ2  LYS  40           1HZ      LYS  40   2.722  -5.053   1.632
  296    HZ3  LYS  40           2HZ      LYS  40   2.236  -5.047   3.259
  297    H    CYS  41           H        CYS  41   3.134 -10.025   5.030
  298    HA   CYS  41           HA       CYS  41   0.647 -10.796   3.593
  299    HB2  CYS  41           2HB      CYS  41   3.599 -10.919   3.183
  300    HB3  CYS  41           1HB      CYS  41   2.631 -12.169   2.393
  301    HA   PRO  42           HA       PRO  42   0.287 -14.473   6.010
  302    HB2  PRO  42           2HB      PRO  42  -1.440 -15.827   4.373
  303    HB3  PRO  42           1HB      PRO  42  -1.946 -14.470   5.400
  304    HG2  PRO  42           2HG      PRO  42  -1.360 -14.521   2.486
  305    HG3  PRO  42           1HG      PRO  42  -2.605 -13.629   3.373
  306    HD2  PRO  42           2HD      PRO  42  -0.282 -12.507   2.468
  307    HD3  PRO  42           1HD      PRO  42  -1.198 -11.898   3.865
  Start of MODEL   18
    1    H1   ILE   1           H        ILE   1  -1.539  16.666   3.307
    2    HA   ILE   1           HA       ILE   1  -1.557  14.032   4.748
    3    HB   ILE   1           HB       ILE   1  -3.895  13.969   3.455
    4   HG12  ILE   1          2HG1      ILE   1  -3.607  16.923   4.054
    5   HG13  ILE   1          1HG1      ILE   1  -3.366  16.259   2.437
    6   HG21  ILE   1          1HG2      ILE   1  -3.785  13.712   5.824
    7   HG22  ILE   1          2HG2      ILE   1  -4.908  15.041   5.534
    8   HG23  ILE   1          3HG2      ILE   1  -3.256  15.380   6.051
    9   HD11  ILE   1          3HD1      ILE   1  -5.607  16.568   2.209
   10   HD12  ILE   1          1HD1      ILE   1  -5.865  16.661   3.951
   11   HD13  ILE   1          2HD1      ILE   1  -5.738  15.089   3.162
   12    HA   PRO   2           HA       PRO   2   0.186  13.099   0.681
   13    HB2  PRO   2           2HB      PRO   2   1.356  10.757   1.484
   14    HB3  PRO   2           1HB      PRO   2   2.095  12.350   1.757
   15    HG2  PRO   2           2HG      PRO   2   0.580  10.616   3.643
   16    HG3  PRO   2           1HG      PRO   2   2.008  11.622   3.932
   17    HD2  PRO   2           2HD      PRO   2  -0.525  12.352   4.644
   18    HD3  PRO   2           1HD      PRO   2   0.768  13.515   4.267
   19    H    TYR   3           H        TYR   3   0.314  10.339  -0.001
   20    HA   TYR   3           HA       TYR   3  -2.561   9.523   0.148
   21    HB2  TYR   3           2HB      TYR   3  -1.649   8.473  -2.215
   22    HB3  TYR   3           1HB      TYR   3  -2.496  10.013  -2.077
   23    HD1  TYR   3           1HD      TYR   3  -1.069  12.131  -1.682
   24    HD2  TYR   3           2HD      TYR   3   0.565   8.390  -3.021
   25    HE1  TYR   3           1HE      TYR   3   0.944  13.312  -2.529
   26    HE2  TYR   3           2HE      TYR   3   2.576   9.570  -3.865
   27    HH   TYR   3           HH       TYR   3   3.130  12.968  -3.199
   28    H    CYS   4           H        CYS   4   0.333   7.976  -1.167
   29    HA   CYS   4           HA       CYS   4  -0.375   5.470   0.241
   30    HB2  CYS   4           2HB      CYS   4   0.190   5.447  -2.143
   31    HB3  CYS   4           1HB      CYS   4   1.741   6.216  -1.805
   32    H    GLY   5           H        GLY   5   1.581   8.182   0.820
   33    HA2  GLY   5           2HA      GLY   5   2.875   8.462   2.832
   34    HA3  GLY   5           1HA      GLY   5   3.018   6.704   2.952
   35    H    GLN   6           H        GLN   6   4.720   5.669   1.879
   36    HA   GLN   6           HA       GLN   6   6.415   7.159  -0.016
   37    HB2  GLN   6           2HB      GLN   6   6.916   6.978   2.863
   38    HB3  GLN   6           1HB      GLN   6   8.269   6.361   1.908
   39    HG2  GLN   6           2HG      GLN   6   8.120   8.480   0.522
   40    HG3  GLN   6           1HG      GLN   6   6.982   9.096   1.723
   41   HE21  GLN   6          1HE2      GLN   6   7.897  10.133   3.508
   42   HE22  GLN   6          2HE2      GLN   6   9.533  10.005   3.971
   43    H    THR   7           H        THR   7   6.291   4.315   2.164
   44    HA   THR   7           HA       THR   7   7.516   2.689  -0.036
   45    HB   THR   7           HB       THR   7   8.124   1.179   1.885
   46    HG1  THR   7           1HG      THR   7   6.336   2.087   3.183
   47   HG21  THR   7          3HG2      THR   7   8.987   4.048   1.733
   48   HG22  THR   7          1HG2      THR   7   9.885   2.590   1.308
   49   HG23  THR   7          2HG2      THR   7   9.639   3.013   3.003
   50    H    GLY   8           H        GLY   8   6.569   0.614  -0.487
   51    HA2  GLY   8           2HA      GLY   8   3.802   0.424  -0.682
   52    HA3  GLY   8           1HA      GLY   8   4.851  -0.994  -0.599
   53    H    ALA   9           H        ALA   9   5.825  -0.319   2.107
   54    HA   ALA   9           HA       ALA   9   4.015  -1.805   3.689
   55    HB1  ALA   9           1HB      ALA   9   5.555   0.226   5.137
   56    HB2  ALA   9           2HB      ALA   9   6.516  -0.614   3.920
   57    HB3  ALA   9           3HB      ALA   9   5.699  -1.531   5.186
   58    H    GLU  10           H        GLU  10   4.185   1.685   3.089
   59    HA   GLU  10           HA       GLU  10   2.202   2.386   5.104
   60    HB2  GLU  10           2HB      GLU  10   3.235   3.857   2.654
   61    HB3  GLU  10           1HB      GLU  10   2.395   4.592   4.020
   62    HG2  GLU  10           2HG      GLU  10   4.541   3.035   5.071
   63    HG3  GLU  10           1HG      GLU  10   5.191   4.025   3.760
   64    H    CYS  11           H        CYS  11   2.148   1.624   1.645
   65    HA   CYS  11           HA       CYS  11  -0.563   2.467   1.134
   66    HB2  CYS  11           2HB      CYS  11   1.663   1.141  -0.174
   67    HB3  CYS  11           1HB      CYS  11   0.142   0.352  -0.591
   68    H    TYR  12           H        TYR  12   0.874  -0.453   2.455
   69    HA   TYR  12           HA       TYR  12  -0.956  -2.470   2.159
   70    HB2  TYR  12           2HB      TYR  12   0.945  -2.780   3.533
   71    HB3  TYR  12           1HB      TYR  12   0.529  -1.413   4.563
   72    HD1  TYR  12           2HD      TYR  12  -1.419  -4.379   3.332
   73    HD2  TYR  12           1HD      TYR  12   0.014  -2.153   6.714
   74    HE1  TYR  12           2HE      TYR  12  -2.667  -5.888   4.855
   75    HE2  TYR  12           1HE      TYR  12  -1.235  -3.660   8.236
   76    HH   TYR  12           HH       TYR  12  -2.147  -5.949   8.215
   77    H    SER  13           H        SER  13  -1.431   0.482   4.018
   78    HA   SER  13           HA       SER  13  -3.864  -0.396   5.347
   79    HB2  SER  13           2HB      SER  13  -2.067   1.552   5.748
   80    HB3  SER  13           1HB      SER  13  -3.252   2.484   4.836
   81    HG   SER  13           HG       SER  13  -4.512   2.439   6.512
   82    H    TRP  14           H        TRP  14  -3.191   1.536   2.417
   83    HA   TRP  14           HA       TRP  14  -5.919   2.257   1.864
   84    HB2  TRP  14           2HB      TRP  14  -3.909   3.361   0.946
   85    HB3  TRP  14           1HB      TRP  14  -3.508   1.889   0.056
   86    HD1  TRP  14           HD       TRP  14  -6.593   4.214   0.383
   87    HE1  TRP  14           1HE      TRP  14  -7.634   4.489  -1.961
   88    HE3  TRP  14           3HE      TRP  14  -3.461   1.227  -2.325
   89    HZ2  TRP  14           2HZ      TRP  14  -7.193   3.562  -4.633
   90    HZ3  TRP  14           3HZ      TRP  14  -3.792   0.941  -4.764
   91    HH2  TRP  14           HH       TRP  14  -5.652   2.104  -5.921
   92    H    CYS  15           H        CYS  15  -3.880  -0.159   0.173
   93    HA   CYS  15           HA       CYS  15  -5.740  -1.405  -1.447
   94    HB2  CYS  15           2HB      CYS  15  -4.328  -3.495  -0.936
   95    HB3  CYS  15           1HB      CYS  15  -3.441  -2.061  -1.458
   96    H    ILE  16           H        ILE  16  -5.343  -1.905   2.049
   97    HA   ILE  16           HA       ILE  16  -7.182  -4.121   2.254
   98    HB   ILE  16           HB       ILE  16  -6.212  -2.082   4.279
   99   HG12  ILE  16          2HG1      ILE  16  -4.500  -3.414   2.890
  100   HG13  ILE  16          1HG1      ILE  16  -4.357  -3.524   4.645
  101   HG21  ILE  16          1HG2      ILE  16  -7.264  -4.903   4.660
  102   HG22  ILE  16          2HG2      ILE  16  -8.167  -3.433   5.027
  103   HG23  ILE  16          3HG2      ILE  16  -6.705  -3.820   5.934
  104   HD11  ILE  16          3HD1      ILE  16  -5.452  -5.667   4.674
  105   HD12  ILE  16          1HD1      ILE  16  -4.204  -5.741   3.431
  106   HD13  ILE  16          2HD1      ILE  16  -5.893  -5.525   2.972
  107    H    LYS  17           H        LYS  17  -7.655  -0.647   2.123
  108    HA   LYS  17           HA       LYS  17 -10.155  -0.456   3.490
  109    HB2  LYS  17           2HB      LYS  17  -8.451   1.109   1.743
  110    HB3  LYS  17           1HB      LYS  17 -10.148   1.363   1.336
  111    HG2  LYS  17           2HG      LYS  17  -9.762   1.304   4.213
  112    HG3  LYS  17           1HG      LYS  17  -8.750   2.539   3.463
  113    HD2  LYS  17           2HD      LYS  17 -10.870   3.222   2.156
  114    HD3  LYS  17           1HD      LYS  17 -11.753   2.251   3.336
  115    HE2  LYS  17           2HE      LYS  17 -11.790   4.331   4.396
  116    HE3  LYS  17           1HE      LYS  17 -10.282   3.673   5.063
  117    HZ1  LYS  17           3HZ      LYS  17 -10.122   4.950   2.446
  118    HZ2  LYS  17           1HZ      LYS  17  -9.009   4.962   3.726
  119    HZ3  LYS  17           2HZ      LYS  17 -10.366   5.981   3.775
  120    H    GLN  18           H        GLN  18  -9.345  -1.856   0.410
  121    HA   GLN  18           HA       GLN  18 -11.938  -1.621  -0.852
  122    HB2  GLN  18           2HB      GLN  18  -9.710  -3.652  -1.211
  123    HB3  GLN  18           1HB      GLN  18 -10.979  -3.288  -2.382
  124    HG2  GLN  18           2HG      GLN  18  -9.068  -1.186  -1.339
  125    HG3  GLN  18           1HG      GLN  18  -8.747  -2.132  -2.797
  126   HE21  GLN  18          1HE2      GLN  18  -9.005   0.588  -3.190
  127   HE22  GLN  18          2HE2      GLN  18 -10.499   0.952  -3.909
  128    H    ASP  19           H        ASP  19 -10.608  -3.714   1.588
  129    HA   ASP  19           HA       ASP  19 -11.657  -5.380   2.897
  130    HB2  ASP  19           2HB      ASP  19 -13.547  -3.560   2.292
  131    HB3  ASP  19           1HB      ASP  19 -14.234  -4.961   1.462
  132    H    LEU  20           H        LEU  20 -10.364  -6.159   0.419
  133    HA   LEU  20           HA       LEU  20 -12.181  -8.160  -0.813
  134    HB2  LEU  20           2HB      LEU  20  -9.244  -7.811  -1.384
  135    HB3  LEU  20           1HB      LEU  20 -10.526  -8.301  -2.487
  136    HG   LEU  20           HG       LEU  20  -9.983  -5.538  -1.388
  137   HD11  LEU  20          1HD1      LEU  20  -9.406  -6.943  -3.830
  138   HD12  LEU  20          2HD1      LEU  20  -8.965  -5.296  -3.376
  139   HD13  LEU  20          3HD1      LEU  20 -10.506  -5.608  -4.174
  140   HD21  LEU  20          3HD2      LEU  20 -12.366  -6.411  -3.049
  141   HD22  LEU  20          1HD2      LEU  20 -12.066  -4.808  -2.380
  142   HD23  LEU  20          2HD2      LEU  20 -12.439  -6.155  -1.306
  143    H    SER  21           H        SER  21  -9.028  -8.092   0.880
  144    HA   SER  21           HA       SER  21  -9.500 -10.314   2.573
  145    HB2  SER  21           2HB      SER  21  -8.775 -10.890  -0.251
  146    HB3  SER  21           1HB      SER  21  -7.912 -11.825   0.965
  147    HG   SER  21           HG       SER  21 -10.078 -12.582   0.132
  148    H    LYS  22           H        LYS  22  -7.805 -10.324   4.036
  149    HA   LYS  22           HA       LYS  22  -5.706  -8.472   4.040
  150    HB2  LYS  22           2HB      LYS  22  -6.654 -10.185   5.799
  151    HB3  LYS  22           1HB      LYS  22  -5.376 -11.237   5.189
  152    HG2  LYS  22           2HG      LYS  22  -3.689  -9.537   5.705
  153    HG3  LYS  22           1HG      LYS  22  -4.949  -8.426   6.248
  154    HD2  LYS  22           2HD      LYS  22  -5.591 -10.474   7.820
  155    HD3  LYS  22           1HD      LYS  22  -3.895 -10.892   7.575
  156    HE2  LYS  22           2HE      LYS  22  -3.138  -9.066   8.759
  157    HE3  LYS  22           1HE      LYS  22  -4.492  -8.043   8.241
  158    HZ1  LYS  22           3HZ      LYS  22  -4.520  -8.885  10.636
  159    HZ2  LYS  22           1HZ      LYS  22  -4.910 -10.399   9.978
  160    HZ3  LYS  22           2HZ      LYS  22  -5.943  -9.072   9.726
  161    H    ASP  23           H        ASP  23  -5.953 -11.450   2.260
  162    HA   ASP  23           HA       ASP  23  -3.053 -11.522   1.657
  163    HB2  ASP  23           2HB      ASP  23  -4.083 -13.640   2.036
  164    HB3  ASP  23           1HB      ASP  23  -5.472 -13.229   1.027
  165    H    TRP  24           H        TRP  24  -5.846 -10.006   0.485
  166    HA   TRP  24           HA       TRP  24  -5.250 -10.093  -2.362
  167    HB2  TRP  24           2HB      TRP  24  -7.359  -9.255  -2.408
  168    HB3  TRP  24           1HB      TRP  24  -7.361  -9.396  -0.651
  169    HD1  TRP  24           HD       TRP  24  -7.289  -7.205   0.745
  170    HE1  TRP  24           1HE      TRP  24  -7.323  -4.698   0.144
  171    HE3  TRP  24           3HE      TRP  24  -6.512  -7.500  -4.282
  172    HZ2  TRP  24           2HZ      TRP  24  -7.060  -3.037  -2.176
  173    HZ3  TRP  24           3HZ      TRP  24  -6.409  -5.449  -5.669
  174    HH2  TRP  24           HH       TRP  24  -6.683  -3.218  -4.621
  175    H    CYS  25           H        CYS  25  -4.950  -7.561   0.160
  176    HA   CYS  25           HA       CYS  25  -3.610  -5.654  -1.517
  177    HB2  CYS  25           2HB      CYS  25  -4.625  -4.876   0.474
  178    HB3  CYS  25           1HB      CYS  25  -3.883  -6.147   1.451
  179    H    CYS  26           H        CYS  26  -2.346  -8.071   0.813
  180    HA   CYS  26           HA       CYS  26   0.374  -7.544   0.781
  181    HB2  CYS  26           2HB      CYS  26  -1.120 -10.174   0.536
  182    HB3  CYS  26           1HB      CYS  26   0.590 -10.061   0.955
  183    H    ASP  27           H        ASP  27  -1.556  -9.012  -1.793
  184    HA   ASP  27           HA       ASP  27   0.782  -9.501  -3.519
  185    HB2  ASP  27           2HB      ASP  27  -1.491 -10.799  -3.222
  186    HB3  ASP  27           1HB      ASP  27  -2.108  -9.593  -4.353
  187    H    PHE  28           H        PHE  28  -1.468  -6.942  -2.911
  188    HA   PHE  28           HA       PHE  28  -1.345  -5.715  -5.548
  189    HB2  PHE  28           2HB      PHE  28  -3.234  -5.470  -3.998
  190    HB3  PHE  28           1HB      PHE  28  -2.176  -4.688  -2.818
  191    HD1  PHE  28           2HD      PHE  28  -1.044  -2.504  -3.440
  192    HD2  PHE  28           1HD      PHE  28  -4.194  -4.240  -5.789
  193    HE1  PHE  28           2HE      PHE  28  -1.428  -0.316  -4.543
  194    HE2  PHE  28           1HE      PHE  28  -4.579  -2.053  -6.891
  195    HZ   PHE  28           HZ       PHE  28  -3.195  -0.090  -6.268
  196    H    VAL  29           H        VAL  29   0.014  -4.712  -2.362
  197    HA   VAL  29           HA       VAL  29   1.463  -2.474  -3.186
  198    HB   VAL  29           HB       VAL  29   2.745  -2.770  -1.216
  199   HG11  VAL  29          1HG1      VAL  29   0.482  -4.568  -0.447
  200   HG12  VAL  29          2HG1      VAL  29   0.105  -2.952  -1.045
  201   HG13  VAL  29          3HG1      VAL  29   1.120  -3.149   0.385
  202   HG21  VAL  29          3HG2      VAL  29   2.240  -5.748  -1.491
  203   HG22  VAL  29          1HG2      VAL  29   3.145  -4.977  -0.188
  204   HG23  VAL  29          2HG2      VAL  29   3.759  -4.921  -1.841
  205    H    LYS  30           H        LYS  30   2.238  -5.868  -3.777
  206    HA   LYS  30           HA       LYS  30   4.923  -5.223  -4.804
  207    HB2  LYS  30           2HB      LYS  30   5.234  -7.505  -4.666
  208    HB3  LYS  30           1HB      LYS  30   3.857  -7.371  -3.577
  209    HG2  LYS  30           2HG      LYS  30   2.324  -7.932  -5.409
  210    HG3  LYS  30           1HG      LYS  30   3.676  -8.007  -6.538
  211    HD2  LYS  30           2HD      LYS  30   4.640  -9.888  -5.367
  212    HD3  LYS  30           1HD      LYS  30   3.457  -9.742  -4.065
  213    HE2  LYS  30           2HE      LYS  30   2.948 -11.561  -5.783
  214    HE3  LYS  30           1HE      LYS  30   1.646 -10.376  -5.554
  215    HZ1  LYS  30           3HZ      LYS  30   2.297  -9.193  -7.455
  216    HZ2  LYS  30           1HZ      LYS  30   2.352 -10.818  -7.934
  217    HZ3  LYS  30           2HZ      LYS  30   3.790  -9.995  -7.561
  218    H    ASP  31           H        ASP  31   1.725  -6.058  -6.107
  219    HA   ASP  31           HA       ASP  31   2.440  -6.429  -8.835
  220    HB2  ASP  31           2HB      ASP  31   0.137  -6.275  -7.215
  221    HB3  ASP  31           1HB      ASP  31  -0.091  -5.056  -8.470
  222    H    ILE  32           H        ILE  32   2.220  -3.536  -6.892
  223    HA   ILE  32           HA       ILE  32   2.140  -1.728  -9.223
  224    HB   ILE  32           HB       ILE  32   2.309  -0.015  -7.368
  225   HG12  ILE  32          2HG1      ILE  32   1.972  -2.333  -5.475
  226   HG13  ILE  32          1HG1      ILE  32   3.584  -1.766  -5.911
  227   HG21  ILE  32          1HG2      ILE  32   0.061  -0.170  -7.228
  228   HG22  ILE  32          2HG2      ILE  32   0.164  -1.683  -6.327
  229   HG23  ILE  32          3HG2      ILE  32   0.191  -1.703  -8.090
  230   HD11  ILE  32          3HD1      ILE  32   3.311  -0.266  -4.232
  231   HD12  ILE  32          1HD1      ILE  32   1.566  -0.510  -4.181
  232   HD13  ILE  32          2HD1      ILE  32   2.268   0.593  -5.366
  233    H    ARG  33           H        ARG  33   4.468  -3.654  -8.625
  234    HA   ARG  33           HA       ARG  33   6.815  -3.586  -8.841
  235    HB2  ARG  33           2HB      ARG  33   6.158  -0.758  -9.731
  236    HB3  ARG  33           1HB      ARG  33   7.624  -1.657 -10.123
  237    HG2  ARG  33           2HG      ARG  33   6.062  -3.429 -11.143
  238    HG3  ARG  33           1HG      ARG  33   4.800  -2.200 -11.047
  239    HD2  ARG  33           2HD      ARG  33   7.374  -1.310 -12.250
  240    HD3  ARG  33           1HD      ARG  33   6.409  -2.448 -13.212
  241    HE   ARG  33           HE       ARG  33   4.518  -0.660 -12.324
  242   HH11  ARG  33          1HH2      ARG  33   7.591  -0.375 -13.877
  243   HH12  ARG  33          2HH2      ARG  33   7.185   1.096 -14.695
  244   HH21  ARG  33          1HH1      ARG  33   3.977   1.256 -13.389
  245   HH22  ARG  33          2HH1      ARG  33   5.141   2.019 -14.420
  246    H    MET  34           H        MET  34   5.917  -3.147  -6.214
  247    HA   MET  34           HA       MET  34   7.825  -1.032  -5.262
  248    HB2  MET  34           2HB      MET  34   4.978  -1.595  -4.715
  249    HB3  MET  34           1HB      MET  34   5.949  -1.299  -3.274
  250    HG2  MET  34           2HG      MET  34   6.262   0.536  -5.624
  251    HG3  MET  34           1HG      MET  34   4.850   0.725  -4.580
  252    HE1  MET  34           3HE      MET  34   5.922   2.805  -1.891
  253    HE2  MET  34           1HE      MET  34   4.680   1.834  -2.694
  254    HE3  MET  34           2HE      MET  34   5.469   3.151  -3.558
  255    H    ASN  35           H        ASN  35   8.056  -1.564  -2.670
  256    HA   ASN  35           HA       ASN  35   9.065  -4.374  -2.584
  257    HB2  ASN  35           2HB      ASN  35  10.739  -2.741  -2.127
  258    HB3  ASN  35           1HB      ASN  35   9.653  -1.806  -1.099
  259   HD21  ASN  35          1HD2      ASN  35  10.197  -2.053   1.063
  260   HD22  ASN  35          2HD2      ASN  35  10.767  -3.497   1.773
  261    HA   PRO  36           HA       PRO  36   5.387  -4.849   0.018
  262    HB2  PRO  36           2HB      PRO  36   5.357  -7.575  -0.140
  263    HB3  PRO  36           1HB      PRO  36   4.667  -6.527  -1.397
  264    HG2  PRO  36           2HG      PRO  36   7.279  -7.954  -1.343
  265    HG3  PRO  36           1HG      PRO  36   6.168  -7.688  -2.695
  266    HD2  PRO  36           2HD      PRO  36   8.448  -6.242  -2.317
  267    HD3  PRO  36           1HD      PRO  36   7.012  -5.610  -3.153
  268    HA   PRO  37           HA       PRO  37   7.806  -5.799   3.599
  269    HB2  PRO  37           2HB      PRO  37   5.804  -5.537   5.442
  270    HB3  PRO  37           1HB      PRO  37   6.592  -4.146   4.673
  271    HG2  PRO  37           2HG      PRO  37   3.949  -5.366   4.116
  272    HG3  PRO  37           1HG      PRO  37   4.457  -3.675   4.021
  273    HD2  PRO  37           2HD      PRO  37   4.153  -5.369   1.853
  274    HD3  PRO  37           1HD      PRO  37   5.118  -3.875   1.860
  275    H    ALA  38           H        ALA  38   8.259  -7.759   4.596
  276    HA   ALA  38           HA       ALA  38   6.395 -10.012   4.102
  277    HB1  ALA  38           1HB      ALA  38   9.269  -9.552   4.610
  278    HB2  ALA  38           2HB      ALA  38   8.490 -10.776   3.608
  279    HB3  ALA  38           3HB      ALA  38   8.621 -11.015   5.351
  280    H    ASP  39           H        ASP  39   7.671  -8.076   6.751
  281    HA   ASP  39           HA       ASP  39   6.525  -9.885   8.799
  282    HB2  ASP  39           2HB      ASP  39   8.497  -7.729   8.581
  283    HB3  ASP  39           1HB      ASP  39   7.470  -7.562  10.005
  284    H    LYS  40           H        LYS  40   5.003  -7.987   6.772
  285    HA   LYS  40           HA       LYS  40   3.281  -6.681   8.859
  286    HB2  LYS  40           2HB      LYS  40   4.745  -5.352   7.111
  287    HB3  LYS  40           1HB      LYS  40   3.446  -5.782   5.997
  288    HG2  LYS  40           2HG      LYS  40   1.826  -4.605   7.232
  289    HG3  LYS  40           1HG      LYS  40   2.824  -4.574   8.686
  290    HD2  LYS  40           2HD      LYS  40   4.401  -3.040   7.596
  291    HD3  LYS  40           1HD      LYS  40   3.447  -3.095   6.113
  292    HE2  LYS  40           2HE      LYS  40   1.811  -1.714   6.957
  293    HE3  LYS  40           1HE      LYS  40   1.975  -2.360   8.601
  294    HZ1  LYS  40           3HZ      LYS  40   3.371  -0.724   9.096
  295    HZ2  LYS  40           1HZ      LYS  40   3.161  -0.059   7.551
  296    HZ3  LYS  40           2HZ      LYS  40   4.410  -1.178   7.830
  297    H    CYS  41           H        CYS  41   3.447  -8.925   6.250
  298    HA   CYS  41           HA       CYS  41   0.460  -8.959   6.000
  299    HB2  CYS  41           2HB      CYS  41   2.779  -9.362   4.205
  300    HB3  CYS  41           1HB      CYS  41   1.452 -10.504   3.970
  301    HA   PRO  42           HA       PRO  42   1.724 -12.777   8.314
  302    HB2  PRO  42           2HB      PRO  42  -0.189 -12.561  10.260
  303    HB3  PRO  42           1HB      PRO  42   1.403 -11.786  10.379
  304    HG2  PRO  42           2HG      PRO  42  -1.224 -10.607   9.633
  305    HG3  PRO  42           1HG      PRO  42   0.095  -9.915  10.590
  306    HD2  PRO  42           2HD      PRO  42  -0.380  -9.284   7.971
  307    HD3  PRO  42           1HD      PRO  42   1.219  -9.175   8.743
  Start of MODEL   19
    1    H1   ILE   1           H        ILE   1  -3.809  13.563   2.079
    2    HA   ILE   1           HA       ILE   1  -6.663  12.796   1.554
    3    HB   ILE   1           HB       ILE   1  -4.401  12.775  -0.446
    4   HG12  ILE   1          2HG1      ILE   1  -6.011  15.055  -0.890
    5   HG13  ILE   1          1HG1      ILE   1  -5.613  15.078   0.828
    6   HG21  ILE   1          1HG2      ILE   1  -6.192  12.844  -2.060
    7   HG22  ILE   1          2HG2      ILE   1  -7.384  13.166  -0.801
    8   HG23  ILE   1          3HG2      ILE   1  -6.593  11.592  -0.884
    9   HD11  ILE   1          3HD1      ILE   1  -3.853  15.440  -1.515
   10   HD12  ILE   1          1HD1      ILE   1  -3.201  14.385  -0.262
   11   HD13  ILE   1          2HD1      ILE   1  -3.670  16.039   0.134
   12    HA   PRO   2           HA       PRO   2  -4.795   8.854   2.667
   13    HB2  PRO   2           2HB      PRO   2  -7.171   7.570   3.091
   14    HB3  PRO   2           1HB      PRO   2  -6.429   8.648   4.293
   15    HG2  PRO   2           2HG      PRO   2  -8.688   9.155   2.436
   16    HG3  PRO   2           1HG      PRO   2  -8.421   9.745   4.082
   17    HD2  PRO   2           2HD      PRO   2  -8.000  11.224   1.789
   18    HD3  PRO   2           1HD      PRO   2  -7.256  11.562   3.367
   19    H    TYR   3           H        TYR   3  -4.039   7.743   0.875
   20    HA   TYR   3           HA       TYR   3  -5.993   6.436  -0.910
   21    HB2  TYR   3           2HB      TYR   3  -5.806   8.501  -2.047
   22    HB3  TYR   3           1HB      TYR   3  -4.083   8.634  -1.685
   23    HD1  TYR   3           2HD      TYR   3  -6.400   6.174  -3.337
   24    HD2  TYR   3           1HD      TYR   3  -2.639   8.244  -3.457
   25    HE1  TYR   3           2HE      TYR   3  -5.863   5.072  -5.493
   26    HE2  TYR   3           1HE      TYR   3  -2.101   7.141  -5.615
   27    HH   TYR   3           HH       TYR   3  -4.145   5.862  -7.582
   28    H    CYS   4           H        CYS   4  -2.566   7.124  -0.319
   29    HA   CYS   4           HA       CYS   4  -1.878   4.301  -0.225
   30    HB2  CYS   4           2HB      CYS   4  -2.253   5.361  -2.742
   31    HB3  CYS   4           1HB      CYS   4  -0.512   5.538  -2.521
   32    H    GLY   5           H        GLY   5  -0.101   7.115  -1.530
   33    HA2  GLY   5           2HA      GLY   5   1.313   8.395   0.179
   34    HA3  GLY   5           1HA      GLY   5   1.828   6.798   0.737
   35    H    GLN   6           H        GLN   6   4.040   7.095   0.158
   36    HA   GLN   6           HA       GLN   6   4.537   7.279  -2.799
   37    HB2  GLN   6           2HB      GLN   6   5.876   8.447  -0.373
   38    HB3  GLN   6           1HB      GLN   6   6.838   8.143  -1.825
   39    HG2  GLN   6           2HG      GLN   6   4.810   9.360  -3.024
   40    HG3  GLN   6           1HG      GLN   6   4.569  10.057  -1.421
   41   HE21  GLN   6          1HE2      GLN   6   5.236  12.039  -2.972
   42   HE22  GLN   6          2HE2      GLN   6   6.899  12.415  -2.961
   43    H    THR   7           H        THR   7   4.357   5.045  -0.472
   44    HA   THR   7           HA       THR   7   6.592   3.447  -1.634
   45    HB   THR   7           HB       THR   7   7.076   2.729   0.771
   46    HG1  THR   7           1HG      THR   7   6.365   4.479   2.250
   47   HG21  THR   7          3HG2      THR   7   7.659   5.565   0.912
   48   HG22  THR   7          1HG2      THR   7   7.940   4.948  -0.715
   49   HG23  THR   7          2HG2      THR   7   8.764   4.214   0.660
   50    H    GLY   8           H        GLY   8   6.337   1.071  -0.863
   51    HA2  GLY   8           2HA      GLY   8   3.587   0.250  -1.375
   52    HA3  GLY   8           1HA      GLY   8   4.954  -0.831  -1.084
   53    H    ALA   9           H        ALA   9   5.696   0.433   1.458
   54    HA   ALA   9           HA       ALA   9   4.255  -1.151   3.293
   55    HB1  ALA   9           1HB      ALA   9   6.040  -0.355   4.428
   56    HB2  ALA   9           2HB      ALA   9   5.157   1.156   4.642
   57    HB3  ALA   9           3HB      ALA   9   6.243   0.956   3.268
   58    H    GLU  10           H        GLU  10   3.847   2.350   2.642
   59    HA   GLU  10           HA       GLU  10   1.602   2.755   4.358
   60    HB2  GLU  10           2HB      GLU  10   2.533   4.100   1.802
   61    HB3  GLU  10           1HB      GLU  10   1.308   4.774   2.877
   62    HG2  GLU  10           2HG      GLU  10   4.153   4.094   3.675
   63    HG3  GLU  10           1HG      GLU  10   3.539   5.720   3.360
   64    H    CYS  11           H        CYS  11   1.785   1.940   0.891
   65    HA   CYS  11           HA       CYS  11  -1.046   1.985   0.401
   66    HB2  CYS  11           2HB      CYS  11   1.340   0.648  -0.902
   67    HB3  CYS  11           1HB      CYS  11  -0.279   0.575  -1.597
   68    H    TYR  12           H        TYR  12   1.113  -0.469   1.715
   69    HA   TYR  12           HA       TYR  12  -0.405  -2.826   1.327
   70    HB2  TYR  12           2HB      TYR  12   1.895  -1.965   2.660
   71    HB3  TYR  12           1HB      TYR  12   0.877  -2.648   3.925
   72    HD1  TYR  12           2HD      TYR  12  -0.455  -4.894   3.006
   73    HD2  TYR  12           1HD      TYR  12   3.387  -3.457   1.723
   74    HE1  TYR  12           2HE      TYR  12   0.168  -7.189   2.283
   75    HE2  TYR  12           1HE      TYR  12   4.007  -5.745   1.005
   76    HH   TYR  12           HH       TYR  12   3.376  -8.058   1.502
   77    H    SER  13           H        SER  13  -0.829  -0.220   3.682
   78    HA   SER  13           HA       SER  13  -2.705  -1.709   5.349
   79    HB2  SER  13           2HB      SER  13  -2.812   1.228   5.419
   80    HB3  SER  13           1HB      SER  13  -2.399   0.097   6.702
   81    HG   SER  13           HG       SER  13  -0.787   1.468   4.943
   82    H    TRP  14           H        TRP  14  -2.970   0.753   2.792
   83    HA   TRP  14           HA       TRP  14  -5.767   1.195   2.848
   84    HB2  TRP  14           2HB      TRP  14  -3.773   2.238   1.508
   85    HB3  TRP  14           1HB      TRP  14  -4.138   0.984   0.318
   86    HD1  TRP  14           HD       TRP  14  -5.936   3.831   2.211
   87    HE1  TRP  14           1HE      TRP  14  -7.798   4.754   0.685
   88    HE3  TRP  14           3HE      TRP  14  -5.521   0.612  -1.733
   89    HZ2  TRP  14           2HZ      TRP  14  -8.962   4.196  -1.869
   90    HZ3  TRP  14           3HZ      TRP  14  -7.020   0.830  -3.696
   91    HH2  TRP  14           HH       TRP  14  -8.737   2.615  -3.768
   92    H    CYS  15           H        CYS  15  -4.039  -0.941   0.565
   93    HA   CYS  15           HA       CYS  15  -6.163  -2.290  -0.595
   94    HB2  CYS  15           2HB      CYS  15  -4.456  -4.313  -0.482
   95    HB3  CYS  15           1HB      CYS  15  -4.061  -2.878  -1.415
   96    H    ILE  16           H        ILE  16  -4.908  -2.759   2.685
   97    HA   ILE  16           HA       ILE  16  -6.660  -5.093   3.154
   98    HB   ILE  16           HB       ILE  16  -4.944  -3.472   5.056
   99   HG12  ILE  16          2HG1      ILE  16  -3.759  -4.390   2.991
  100   HG13  ILE  16          1HG1      ILE  16  -3.129  -4.953   4.538
  101   HG21  ILE  16          1HG2      ILE  16  -6.382  -4.892   6.305
  102   HG22  ILE  16          2HG2      ILE  16  -4.869  -5.790   6.182
  103   HG23  ILE  16          3HG2      ILE  16  -6.228  -6.206   5.137
  104   HD11  ILE  16          3HD1      ILE  16  -3.309  -6.916   3.227
  105   HD12  ILE  16          1HD1      ILE  16  -4.877  -6.440   2.578
  106   HD13  ILE  16          2HD1      ILE  16  -4.735  -6.954   4.257
  107    H    LYS  17           H        LYS  17  -6.286  -1.841   4.637
  108    HA   LYS  17           HA       LYS  17  -8.473  -1.764   6.328
  109    HB2  LYS  17           2HB      LYS  17  -7.218   0.251   4.467
  110    HB3  LYS  17           1HB      LYS  17  -8.544   0.720   5.532
  111    HG2  LYS  17           2HG      LYS  17  -6.388  -0.836   6.827
  112    HG3  LYS  17           1HG      LYS  17  -5.918   0.771   6.270
  113    HD2  LYS  17           2HD      LYS  17  -6.900   1.632   8.102
  114    HD3  LYS  17           1HD      LYS  17  -8.454   1.085   7.469
  115    HE2  LYS  17           2HE      LYS  17  -8.075  -1.141   8.544
  116    HE3  LYS  17           1HE      LYS  17  -6.579  -0.505   9.258
  117    HZ1  LYS  17           3HZ      LYS  17  -7.700   0.853  10.647
  118    HZ2  LYS  17           1HZ      LYS  17  -8.950  -0.275  10.438
  119    HZ3  LYS  17           2HZ      LYS  17  -8.945   1.162   9.532
  120    H    GLN  18           H        GLN  18  -8.521  -1.325   2.789
  121    HA   GLN  18           HA       GLN  18 -11.178  -0.543   2.386
  122    HB2  GLN  18           2HB      GLN  18  -9.083  -1.027   0.868
  123    HB3  GLN  18           1HB      GLN  18  -9.827  -2.618   0.695
  124    HG2  GLN  18           2HG      GLN  18 -11.065  -1.694  -0.923
  125    HG3  GLN  18           1HG      GLN  18 -11.960  -0.890   0.366
  126   HE21  GLN  18          1HE2      GLN  18 -10.115   1.028   1.236
  127   HE22  GLN  18          2HE2      GLN  18  -9.763   2.106  -0.029
  128    H    ASP  19           H        ASP  19  -9.890  -3.675   3.316
  129    HA   ASP  19           HA       ASP  19 -11.038  -5.559   4.194
  130    HB2  ASP  19           2HB      ASP  19 -12.769  -3.391   4.485
  131    HB3  ASP  19           1HB      ASP  19 -13.745  -4.599   3.642
  132    H    LEU  20           H        LEU  20 -10.169  -5.664   1.547
  133    HA   LEU  20           HA       LEU  20 -12.466  -6.738  -0.034
  134    HB2  LEU  20           2HB      LEU  20  -9.610  -6.499  -0.971
  135    HB3  LEU  20           1HB      LEU  20 -11.092  -6.380  -1.915
  136    HG   LEU  20           HG       LEU  20  -9.905  -4.342  -0.036
  137   HD11  LEU  20          1HD1      LEU  20  -9.097  -4.082  -2.251
  138   HD12  LEU  20          2HD1      LEU  20 -10.413  -2.917  -2.124
  139   HD13  LEU  20          3HD1      LEU  20 -10.671  -4.449  -2.955
  140   HD21  LEU  20          3HD2      LEU  20 -12.250  -3.247  -1.048
  141   HD22  LEU  20          1HD2      LEU  20 -12.034  -3.846   0.597
  142   HD23  LEU  20          2HD2      LEU  20 -12.725  -4.896  -0.641
  143    H    SER  21           H        SER  21  -9.105  -7.652   0.799
  144    HA   SER  21           HA       SER  21  -9.748 -10.312   1.642
  145    HB2  SER  21           2HB      SER  21 -10.189 -11.195  -0.404
  146    HB3  SER  21           1HB      SER  21  -9.597  -9.753  -1.224
  147    HG   SER  21           HG       SER  21  -8.343 -12.132  -0.684
  148    H    LYS  22           H        LYS  22  -7.873 -11.305   2.476
  149    HA   LYS  22           HA       LYS  22  -5.617  -9.803   3.159
  150    HB2  LYS  22           2HB      LYS  22  -5.854 -12.780   2.614
  151    HB3  LYS  22           1HB      LYS  22  -4.599 -12.022   3.597
  152    HG2  LYS  22           2HG      LYS  22  -6.761 -10.962   4.792
  153    HG3  LYS  22           1HG      LYS  22  -7.476 -12.470   4.216
  154    HD2  LYS  22           2HD      LYS  22  -4.899 -12.313   5.805
  155    HD3  LYS  22           1HD      LYS  22  -6.479 -12.652   6.514
  156    HE2  LYS  22           2HE      LYS  22  -5.518 -14.302   4.184
  157    HE3  LYS  22           1HE      LYS  22  -4.965 -14.678   5.828
  158    HZ1  LYS  22           3HZ      LYS  22  -7.087 -15.789   5.202
  159    HZ2  LYS  22           1HZ      LYS  22  -7.812 -14.259   5.098
  160    HZ3  LYS  22           2HZ      LYS  22  -7.204 -14.810   6.585
  161    H    ASP  23           H        ASP  23  -5.687 -12.263   0.538
  162    HA   ASP  23           HA       ASP  23  -3.146 -11.596  -0.568
  163    HB2  ASP  23           2HB      ASP  23  -5.656 -12.978  -1.441
  164    HB3  ASP  23           1HB      ASP  23  -4.459 -12.592  -2.677
  165    H    TRP  24           H        TRP  24  -6.346 -10.194  -0.984
  166    HA   TRP  24           HA       TRP  24  -6.202  -8.733  -3.329
  167    HB2  TRP  24           2HB      TRP  24  -7.867  -8.807  -1.242
  168    HB3  TRP  24           1HB      TRP  24  -7.010  -7.324  -0.806
  169    HD1  TRP  24           HD       TRP  24  -9.853  -8.464  -2.759
  170    HE1  TRP  24           1HE      TRP  24 -10.605  -6.691  -4.473
  171    HE3  TRP  24           3HE      TRP  24  -5.830  -5.322  -2.606
  172    HZ2  TRP  24           2HZ      TRP  24  -9.634  -4.268  -5.623
  173    HZ3  TRP  24           3HZ      TRP  24  -5.770  -3.289  -4.024
  174    HH2  TRP  24           HH       TRP  24  -7.668  -2.759  -5.529
  175    H    CYS  25           H        CYS  25  -4.682  -7.899  -0.210
  176    HA   CYS  25           HA       CYS  25  -3.398  -5.514  -1.384
  177    HB2  CYS  25           2HB      CYS  25  -4.331  -5.501   0.888
  178    HB3  CYS  25           1HB      CYS  25  -3.284  -6.850   1.331
  179    H    CYS  26           H        CYS  26  -2.234  -8.473   0.281
  180    HA   CYS  26           HA       CYS  26   0.495  -8.176   0.064
  181    HB2  CYS  26           2HB      CYS  26  -1.414 -10.276   0.376
  182    HB3  CYS  26           1HB      CYS  26  -0.169 -10.844  -0.737
  183    H    ASP  27           H        ASP  27  -1.548  -9.588  -2.544
  184    HA   ASP  27           HA       ASP  27   0.691  -9.652  -4.414
  185    HB2  ASP  27           2HB      ASP  27  -2.310  -9.938  -4.778
  186    HB3  ASP  27           1HB      ASP  27  -1.092 -10.384  -5.973
  187    H    PHE  28           H        PHE  28  -1.657  -7.264  -3.482
  188    HA   PHE  28           HA       PHE  28  -1.799  -5.768  -5.935
  189    HB2  PHE  28           2HB      PHE  28  -3.419  -5.435  -4.203
  190    HB3  PHE  28           1HB      PHE  28  -2.162  -5.109  -3.003
  191    HD1  PHE  28           2HD      PHE  28  -3.014  -3.867  -6.447
  192    HD2  PHE  28           1HD      PHE  28  -1.975  -2.879  -2.401
  193    HE1  PHE  28           2HE      PHE  28  -3.077  -1.455  -7.022
  194    HE2  PHE  28           1HE      PHE  28  -2.031  -0.471  -2.972
  195    HZ   PHE  28           HZ       PHE  28  -2.586   0.245  -5.285
  196    H    VAL  29           H        VAL  29  -0.052  -4.820  -2.945
  197    HA   VAL  29           HA       VAL  29   1.535  -2.832  -4.240
  198    HB   VAL  29           HB       VAL  29   1.562  -2.534  -1.955
  199   HG11  VAL  29          1HG1      VAL  29   1.923  -4.526  -0.347
  200   HG12  VAL  29          2HG1      VAL  29   1.586  -5.543  -1.751
  201   HG13  VAL  29          3HG1      VAL  29   0.368  -4.405  -1.170
  202   HG21  VAL  29          3HG2      VAL  29   3.959  -2.826  -2.813
  203   HG22  VAL  29          1HG2      VAL  29   3.928  -4.412  -2.043
  204   HG23  VAL  29          2HG2      VAL  29   3.730  -2.955  -1.069
  205    H    LYS  30           H        LYS  30   2.429  -6.194  -3.343
  206    HA   LYS  30           HA       LYS  30   5.037  -6.302  -4.289
  207    HB2  LYS  30           2HB      LYS  30   3.668  -8.126  -3.241
  208    HB3  LYS  30           1HB      LYS  30   2.845  -8.344  -4.785
  209    HG2  LYS  30           2HG      LYS  30   4.504  -9.717  -5.434
  210    HG3  LYS  30           1HG      LYS  30   5.621  -8.353  -5.351
  211    HD2  LYS  30           2HD      LYS  30   6.601  -9.878  -3.869
  212    HD3  LYS  30           1HD      LYS  30   5.648  -8.863  -2.784
  213    HE2  LYS  30           2HE      LYS  30   3.745 -10.619  -3.212
  214    HE3  LYS  30           1HE      LYS  30   5.085 -11.672  -3.714
  215    HZ1  LYS  30           3HZ      LYS  30   6.173 -10.669  -1.568
  216    HZ2  LYS  30           1HZ      LYS  30   5.141 -12.011  -1.468
  217    HZ3  LYS  30           2HZ      LYS  30   4.554 -10.460  -1.096
  218    H    ASP  31           H        ASP  31   2.082  -5.992  -6.171
  219    HA   ASP  31           HA       ASP  31   3.345  -6.644  -8.732
  220    HB2  ASP  31           2HB      ASP  31   0.684  -5.665  -7.736
  221    HB3  ASP  31           1HB      ASP  31   1.040  -5.624  -9.463
  222    H    ILE  32           H        ILE  32   2.783  -3.697  -6.863
  223    HA   ILE  32           HA       ILE  32   3.255  -1.961  -9.191
  224    HB   ILE  32           HB       ILE  32   2.738  -0.205  -7.677
  225   HG12  ILE  32          2HG1      ILE  32   3.030  -2.027  -5.290
  226   HG13  ILE  32          1HG1      ILE  32   4.417  -1.134  -5.909
  227   HG21  ILE  32          1HG2      ILE  32   1.147  -2.526  -7.826
  228   HG22  ILE  32          2HG2      ILE  32   0.614  -0.894  -7.420
  229   HG23  ILE  32          3HG2      ILE  32   1.084  -2.012  -6.140
  230   HD11  ILE  32          3HD1      ILE  32   1.977   0.487  -5.627
  231   HD12  ILE  32          1HD1      ILE  32   3.632   0.852  -5.144
  232   HD13  ILE  32          2HD1      ILE  32   2.609  -0.137  -4.103
  233    H    ARG  33           H        ARG  33   5.421  -3.813  -8.547
  234    HA   ARG  33           HA       ARG  33   7.750  -3.822  -8.075
  235    HB2  ARG  33           2HB      ARG  33   7.119  -2.435 -10.224
  236    HB3  ARG  33           1HB      ARG  33   7.665  -1.061  -9.262
  237    HG2  ARG  33           2HG      ARG  33   9.840  -1.661  -9.440
  238    HG3  ARG  33           1HG      ARG  33   9.483  -3.359  -9.122
  239    HD2  ARG  33           2HD      ARG  33  10.362  -3.128 -11.405
  240    HD3  ARG  33           1HD      ARG  33   8.644  -3.564 -11.490
  241    HE   ARG  33           HE       ARG  33   8.185  -1.394 -12.323
  242   HH11  ARG  33          1HH2      ARG  33  11.316  -1.607 -10.882
  243   HH12  ARG  33          2HH2      ARG  33  11.789  -0.013 -11.365
  244   HH21  ARG  33          1HH1      ARG  33   8.790   0.694 -12.955
  245   HH22  ARG  33          2HH1      ARG  33  10.362   1.289 -12.535
  246    H    MET  34           H        MET  34   7.372  -3.562  -5.672
  247    HA   MET  34           HA       MET  34   8.661  -1.058  -4.721
  248    HB2  MET  34           2HB      MET  34   5.870  -2.011  -4.173
  249    HB3  MET  34           1HB      MET  34   6.737  -1.154  -2.899
  250    HG2  MET  34           2HG      MET  34   6.513  -0.078  -5.717
  251    HG3  MET  34           1HG      MET  34   5.335   0.302  -4.459
  252    HE1  MET  34           3HE      MET  34   7.502   2.765  -5.906
  253    HE2  MET  34           1HE      MET  34   6.861   3.576  -4.471
  254    HE3  MET  34           2HE      MET  34   5.857   2.443  -5.368
  255    H    ASN  35           H        ASN  35   8.501  -1.440  -2.027
  256    HA   ASN  35           HA       ASN  35   9.899  -4.057  -1.637
  257    HB2  ASN  35           2HB      ASN  35  10.429  -1.357  -0.965
  258    HB3  ASN  35           1HB      ASN  35  10.070  -2.179   0.554
  259   HD21  ASN  35          1HD2      ASN  35  12.705  -1.272  -0.950
  260   HD22  ASN  35          2HD2      ASN  35  13.712  -2.637  -0.769
  261    HA   PRO  36           HA       PRO  36   5.918  -4.677   0.541
  262    HB2  PRO  36           2HB      PRO  36   5.821  -7.367   0.099
  263    HB3  PRO  36           1HB      PRO  36   5.234  -6.173  -1.080
  264    HG2  PRO  36           2HG      PRO  36   7.782  -7.706  -1.041
  265    HG3  PRO  36           1HG      PRO  36   6.769  -7.232  -2.412
  266    HD2  PRO  36           2HD      PRO  36   9.087  -5.954  -1.706
  267    HD3  PRO  36           1HD      PRO  36   7.756  -5.185  -2.598
  268    HA   PRO  37           HA       PRO  37   8.369  -6.150   3.984
  269    HB2  PRO  37           2HB      PRO  37   6.770  -5.093   5.931
  270    HB3  PRO  37           1HB      PRO  37   7.952  -4.125   5.029
  271    HG2  PRO  37           2HG      PRO  37   5.015  -4.216   4.787
  272    HG3  PRO  37           1HG      PRO  37   6.141  -2.901   4.427
  273    HD2  PRO  37           2HD      PRO  37   4.910  -4.619   2.566
  274    HD3  PRO  37           1HD      PRO  37   6.239  -3.482   2.245
  275    H    ALA  38           H        ALA  38   7.944  -7.774   5.676
  276    HA   ALA  38           HA       ALA  38   5.606  -9.486   5.027
  277    HB1  ALA  38           1HB      ALA  38   8.012  -9.907   6.830
  278    HB2  ALA  38           2HB      ALA  38   7.933 -10.367   5.129
  279    HB3  ALA  38           3HB      ALA  38   6.879 -11.154   6.304
  280    H    ASP  39           H        ASP  39   5.327  -6.934   6.590
  281    HA   ASP  39           HA       ASP  39   4.268  -8.113   9.140
  282    HB2  ASP  39           2HB      ASP  39   6.219  -6.709   9.524
  283    HB3  ASP  39           1HB      ASP  39   5.528  -5.418   8.541
  284    H    LYS  40           H        LYS  40   3.460  -6.626   6.217
  285    HA   LYS  40           HA       LYS  40   1.107  -5.177   7.306
  286    HB2  LYS  40           2HB      LYS  40   2.217  -5.516   4.498
  287    HB3  LYS  40           1HB      LYS  40   0.925  -4.407   4.959
  288    HG2  LYS  40           2HG      LYS  40   3.690  -4.336   6.192
  289    HG3  LYS  40           1HG      LYS  40   3.219  -3.345   4.810
  290    HD2  LYS  40           2HD      LYS  40   1.817  -2.014   6.064
  291    HD3  LYS  40           1HD      LYS  40   1.431  -3.309   7.198
  292    HE2  LYS  40           2HE      LYS  40   2.900  -2.323   8.621
  293    HE3  LYS  40           1HE      LYS  40   4.185  -2.889   7.535
  294    HZ1  LYS  40           3HZ      LYS  40   3.910  -0.906   6.200
  295    HZ2  LYS  40           1HZ      LYS  40   4.236  -0.466   7.806
  296    HZ3  LYS  40           2HZ      LYS  40   2.651  -0.362   7.204
  297    H    CYS  41           H        CYS  41   1.925  -8.255   6.032
  298    HA   CYS  41           HA       CYS  41  -0.907  -8.802   5.237
  299    HB2  CYS  41           2HB      CYS  41   1.577  -9.348   4.079
  300    HB3  CYS  41           1HB      CYS  41   1.079 -10.895   4.775
  301    HA   PRO  42           HA       PRO  42  -0.894 -10.806   9.278
  302    HB2  PRO  42           2HB      PRO  42  -3.608 -11.139   9.385
  303    HB3  PRO  42           1HB      PRO  42  -2.809  -9.603   9.774
  304    HG2  PRO  42           2HG      PRO  42  -4.203 -10.433   7.280
  305    HG3  PRO  42           1HG      PRO  42  -4.200  -8.866   8.103
  306    HD2  PRO  42           2HD      PRO  42  -2.708  -9.408   5.882
  307    HD3  PRO  42           1HD      PRO  42  -2.250  -8.199   7.106
  Start of MODEL   20
    1    H1   ILE   1           H        ILE   1  -3.040  14.072   7.731
    2    HA   ILE   1           HA       ILE   1  -0.259  15.036   7.209
    3    HB   ILE   1           HB       ILE   1  -0.703  15.189   9.605
    4   HG12  ILE   1          2HG1      ILE   1   0.769  12.591   9.369
    5   HG13  ILE   1          1HG1      ILE   1   1.440  14.019   8.584
    6   HG21  ILE   1          1HG2      ILE   1  -1.096  12.519  10.398
    7   HG22  ILE   1          2HG2      ILE   1  -2.209  12.769   9.054
    8   HG23  ILE   1          3HG2      ILE   1  -2.279  13.824  10.465
    9   HD11  ILE   1          3HD1      ILE   1   1.471  13.317  11.383
   10   HD12  ILE   1          1HD1      ILE   1   0.628  14.850  11.162
   11   HD13  ILE   1          2HD1      ILE   1   2.279  14.659  10.573
   12    HA   PRO   2           HA       PRO   2  -1.417  10.721   5.627
   13    HB2  PRO   2           2HB      PRO   2  -1.692  11.306   2.968
   14    HB3  PRO   2           1HB      PRO   2  -3.052  11.348   4.111
   15    HG2  PRO   2           2HG      PRO   2  -1.443  13.589   2.998
   16    HG3  PRO   2           1HG      PRO   2  -3.176  13.508   3.349
   17    HD2  PRO   2           2HD      PRO   2  -1.350  14.759   4.958
   18    HD3  PRO   2           1HD      PRO   2  -2.890  14.083   5.542
   19    H    TYR   3           H        TYR   3   0.205   9.402   4.637
   20    HA   TYR   3           HA       TYR   3   2.321  10.469   2.972
   21    HB2  TYR   3           2HB      TYR   3   2.568  11.323   5.479
   22    HB3  TYR   3           1HB      TYR   3   3.285   9.724   5.710
   23    HD1  TYR   3           2HD      TYR   3   5.340   9.075   4.526
   24    HD2  TYR   3           1HD      TYR   3   3.646  12.999   4.090
   25    HE1  TYR   3           2HE      TYR   3   7.459   9.877   3.516
   26    HE2  TYR   3           1HE      TYR   3   5.765  13.801   3.080
   27    HH   TYR   3           HH       TYR   3   8.597  12.352   3.355
   28    H    CYS   4           H        CYS   4   2.527   8.633   1.727
   29    HA   CYS   4           HA       CYS   4   2.474   5.958   3.031
   30    HB2  CYS   4           2HB      CYS   4   1.585   7.112   0.583
   31    HB3  CYS   4           1HB      CYS   4   2.827   5.929   0.173
   32    H    GLY   5           H        GLY   5   4.782   8.115   2.852
   33    HA2  GLY   5           2HA      GLY   5   7.105   8.120   2.440
   34    HA3  GLY   5           1HA      GLY   5   7.003   6.474   3.077
   35    H    GLN   6           H        GLN   6   5.416   7.518   0.110
   36    HA   GLN   6           HA       GLN   6   5.619   6.626  -2.076
   37    HB2  GLN   6           2HB      GLN   6   8.032   7.829  -1.119
   38    HB3  GLN   6           1HB      GLN   6   8.479   6.445  -2.124
   39    HG2  GLN   6           2HG      GLN   6   8.184   7.893  -3.854
   40    HG3  GLN   6           1HG      GLN   6   6.468   7.557  -3.611
   41   HE21  GLN   6          1HE2      GLN   6   5.897   8.981  -1.279
   42   HE22  GLN   6          2HE2      GLN   6   6.178  10.645  -1.530
   43    H    THR   7           H        THR   7   5.715   4.709   0.335
   44    HA   THR   7           HA       THR   7   7.005   2.410  -1.101
   45    HB   THR   7           HB       THR   7   7.284   1.534   1.292
   46    HG1  THR   7           1HG      THR   7   6.959   4.231   2.011
   47   HG21  THR   7          3HG2      THR   7   9.391   2.331   1.150
   48   HG22  THR   7          1HG2      THR   7   8.843   3.996   1.349
   49   HG23  THR   7          2HG2      THR   7   8.847   3.254  -0.251
   50    H    GLY   8           H        GLY   8   5.835   0.406  -1.010
   51    HA2  GLY   8           2HA      GLY   8   2.960   0.683  -0.941
   52    HA3  GLY   8           1HA      GLY   8   3.841  -0.830  -1.149
   53    H    ALA   9           H        ALA   9   5.376  -0.321   1.380
   54    HA   ALA   9           HA       ALA   9   3.800  -1.827   3.188
   55    HB1  ALA   9           1HB      ALA   9   5.509  -0.825   4.848
   56    HB2  ALA   9           2HB      ALA   9   6.146   0.060   3.461
   57    HB3  ALA   9           3HB      ALA   9   6.160  -1.703   3.463
   58    H    GLU  10           H        GLU  10   3.938   1.654   2.630
   59    HA   GLU  10           HA       GLU  10   2.386   2.274   5.055
   60    HB2  GLU  10           2HB      GLU  10   3.218   3.975   2.682
   61    HB3  GLU  10           1HB      GLU  10   2.666   4.570   4.248
   62    HG2  GLU  10           2HG      GLU  10   5.067   2.755   3.965
   63    HG3  GLU  10           1HG      GLU  10   5.199   4.516   3.906
   64    H    CYS  11           H        CYS  11   1.809   2.014   1.554
   65    HA   CYS  11           HA       CYS  11  -0.913   3.056   1.712
   66    HB2  CYS  11           2HB      CYS  11   0.397   1.389  -0.452
   67    HB3  CYS  11           1HB      CYS  11  -0.930   2.534  -0.642
   68    H    TYR  12           H        TYR  12   0.593  -0.114   1.928
   69    HA   TYR  12           HA       TYR  12  -1.352  -1.961   1.357
   70    HB2  TYR  12           2HB      TYR  12   0.522  -2.898   2.266
   71    HB3  TYR  12           1HB      TYR  12   0.750  -1.592   3.416
   72    HD1  TYR  12           2HD      TYR  12  -1.948  -4.130   2.745
   73    HD2  TYR  12           1HD      TYR  12   0.666  -2.306   5.624
   74    HE1  TYR  12           2HE      TYR  12  -2.951  -5.520   4.540
   75    HE2  TYR  12           1HE      TYR  12  -0.341  -3.689   7.416
   76    HH   TYR  12           HH       TYR  12  -1.916  -5.157   7.933
   77    H    SER  13           H        SER  13  -1.389   0.322   4.025
   78    HA   SER  13           HA       SER  13  -3.547  -0.852   5.523
   79    HB2  SER  13           2HB      SER  13  -2.388   1.937   5.321
   80    HB3  SER  13           1HB      SER  13  -3.589   1.479   6.525
   81    HG   SER  13           HG       SER  13  -2.010   0.659   7.623
   82    H    TRP  14           H        TRP  14  -3.531   1.499   2.847
   83    HA   TRP  14           HA       TRP  14  -6.355   2.169   3.160
   84    HB2  TRP  14           2HB      TRP  14  -4.966   3.805   2.167
   85    HB3  TRP  14           1HB      TRP  14  -4.188   2.626   1.107
   86    HD1  TRP  14           HD       TRP  14  -7.604   4.351   1.609
   87    HE1  TRP  14           1HE      TRP  14  -8.803   4.445  -0.673
   88    HE3  TRP  14           3HE      TRP  14  -4.282   1.723  -1.240
   89    HZ2  TRP  14           2HZ      TRP  14  -8.401   3.524  -3.356
   90    HZ3  TRP  14           3HZ      TRP  14  -4.711   1.345  -3.651
   91    HH2  TRP  14           HH       TRP  14  -6.765   2.241  -4.711
   92    H    CYS  15           H        CYS  15  -4.623   0.466   0.525
   93    HA   CYS  15           HA       CYS  15  -6.699  -0.496  -1.003
   94    HB2  CYS  15           2HB      CYS  15  -5.168  -2.537  -1.291
   95    HB3  CYS  15           1HB      CYS  15  -4.428  -0.959  -1.569
   96    H    ILE  16           H        ILE  16  -5.944  -1.547   2.279
   97    HA   ILE  16           HA       ILE  16  -7.433  -4.032   2.159
   98    HB   ILE  16           HB       ILE  16  -6.571  -2.213   4.425
   99   HG12  ILE  16          2HG1      ILE  16  -4.835  -3.273   2.865
  100   HG13  ILE  16          1HG1      ILE  16  -4.654  -3.631   4.583
  101   HG21  ILE  16          1HG2      ILE  16  -7.778  -3.544   5.783
  102   HG22  ILE  16          2HG2      ILE  16  -6.790  -4.909   5.261
  103   HG23  ILE  16          3HG2      ILE  16  -8.289  -4.530   4.412
  104   HD11  ILE  16          3HD1      ILE  16  -6.375  -5.489   3.021
  105   HD12  ILE  16          1HD1      ILE  16  -5.237  -5.834   4.324
  106   HD13  ILE  16          2HD1      ILE  16  -4.644  -5.553   2.687
  107    H    LYS  17           H        LYS  17  -8.339  -0.681   2.705
  108    HA   LYS  17           HA       LYS  17 -10.806  -1.070   4.079
  109    HB2  LYS  17           2HB      LYS  17 -11.186   1.195   3.494
  110    HB3  LYS  17           1HB      LYS  17  -9.428   1.054   3.506
  111    HG2  LYS  17           2HG      LYS  17  -9.393   0.781   1.083
  112    HG3  LYS  17           1HG      LYS  17 -11.156   0.799   1.029
  113    HD2  LYS  17           2HD      LYS  17  -9.481   3.086   2.097
  114    HD3  LYS  17           1HD      LYS  17 -10.098   3.007   0.447
  115    HE2  LYS  17           2HE      LYS  17 -12.164   2.489   2.479
  116    HE3  LYS  17           1HE      LYS  17 -11.472   4.122   2.560
  117    HZ1  LYS  17           3HZ      LYS  17 -12.368   2.809   0.051
  118    HZ2  LYS  17           1HZ      LYS  17 -11.837   4.410   0.226
  119    HZ3  LYS  17           2HZ      LYS  17 -13.306   3.923   0.927
  120    H    GLN  18           H        GLN  18  -9.896  -1.749   0.801
  121    HA   GLN  18           HA       GLN  18 -12.312  -1.545  -0.640
  122    HB2  GLN  18           2HB      GLN  18  -9.987  -3.474  -0.639
  123    HB3  GLN  18           1HB      GLN  18 -11.286  -3.623  -1.817
  124    HG2  GLN  18           2HG      GLN  18  -9.152  -2.219  -2.391
  125    HG3  GLN  18           1HG      GLN  18 -10.739  -1.624  -2.878
  126   HE21  GLN  18          1HE2      GLN  18 -11.500   0.331  -1.887
  127   HE22  GLN  18          2HE2      GLN  18 -10.577   1.227  -0.781
  128    H    ASP  19           H        ASP  19 -11.266  -3.847   1.752
  129    HA   ASP  19           HA       ASP  19 -12.591  -5.296   3.102
  130    HB2  ASP  19           2HB      ASP  19 -14.839  -4.906   1.120
  131    HB3  ASP  19           1HB      ASP  19 -14.946  -5.331   2.828
  132    H    LEU  20           H        LEU  20 -10.860  -6.116   0.924
  133    HA   LEU  20           HA       LEU  20 -12.290  -8.429  -0.304
  134    HB2  LEU  20           2HB      LEU  20  -9.491  -7.304  -0.629
  135    HB3  LEU  20           1HB      LEU  20 -10.159  -8.615  -1.588
  136    HG   LEU  20           HG       LEU  20 -10.499  -5.731  -1.874
  137   HD11  LEU  20          1HD1      LEU  20 -10.164  -8.081  -3.441
  138   HD12  LEU  20          2HD1      LEU  20 -10.113  -6.401  -3.976
  139   HD13  LEU  20          3HD1      LEU  20 -11.639  -7.284  -3.989
  140   HD21  LEU  20          3HD2      LEU  20 -12.955  -7.506  -1.776
  141   HD22  LEU  20          1HD2      LEU  20 -12.915  -6.000  -2.693
  142   HD23  LEU  20          2HD2      LEU  20 -12.697  -5.973  -0.944
  143    H    SER  21           H        SER  21  -9.032  -7.984   1.053
  144    HA   SER  21           HA       SER  21  -9.205  -9.679   3.304
  145    HB2  SER  21           2HB      SER  21  -8.106 -11.726   2.006
  146    HB3  SER  21           1HB      SER  21  -9.856 -11.532   2.059
  147    HG   SER  21           HG       SER  21  -9.413 -11.746  -0.058
  148    H    LYS  22           H        LYS  22  -7.091 -10.058   4.223
  149    HA   LYS  22           HA       LYS  22  -5.066  -8.199   3.749
  150    HB2  LYS  22           2HB      LYS  22  -5.365 -10.846   5.032
  151    HB3  LYS  22           1HB      LYS  22  -3.703 -10.411   4.636
  152    HG2  LYS  22           2HG      LYS  22  -3.939  -8.294   5.843
  153    HG3  LYS  22           1HG      LYS  22  -5.630  -8.661   6.191
  154    HD2  LYS  22           2HD      LYS  22  -4.728  -9.471   8.139
  155    HD3  LYS  22           1HD      LYS  22  -4.500 -10.910   7.145
  156    HE2  LYS  22           2HE      LYS  22  -2.304 -10.713   7.771
  157    HE3  LYS  22           1HE      LYS  22  -2.245  -9.437   6.538
  158    HZ1  LYS  22           3HZ      LYS  22  -3.095  -8.989   9.348
  159    HZ2  LYS  22           1HZ      LYS  22  -2.837  -7.808   8.158
  160    HZ3  LYS  22           2HZ      LYS  22  -1.523  -8.686   8.780
  161    H    ASP  23           H        ASP  23  -5.795 -11.087   1.930
  162    HA   ASP  23           HA       ASP  23  -3.198 -11.202   0.570
  163    HB2  ASP  23           2HB      ASP  23  -4.455 -13.229   0.978
  164    HB3  ASP  23           1HB      ASP  23  -5.889 -12.552   0.205
  165    H    TRP  24           H        TRP  24  -6.342  -9.738   0.038
  166    HA   TRP  24           HA       TRP  24  -6.276  -9.298  -2.755
  167    HB2  TRP  24           2HB      TRP  24  -8.286  -8.686  -1.833
  168    HB3  TRP  24           1HB      TRP  24  -7.542  -8.143  -0.331
  169    HD1  TRP  24           HD       TRP  24  -8.130  -5.687  -0.025
  170    HE1  TRP  24           1HE      TRP  24  -8.117  -3.589  -1.522
  171    HE3  TRP  24           3HE      TRP  24  -6.861  -7.801  -4.479
  172    HZ2  TRP  24           2HZ      TRP  24  -7.631  -2.900  -4.255
  173    HZ3  TRP  24           3HZ      TRP  24  -6.625  -6.410  -6.519
  174    HH2  TRP  24           HH       TRP  24  -7.011  -3.962  -6.412
  175    H    CYS  25           H        CYS  25  -5.096  -7.123  -0.152
  176    HA   CYS  25           HA       CYS  25  -3.787  -5.380  -2.127
  177    HB2  CYS  25           2HB      CYS  25  -4.894  -4.500  -0.117
  178    HB3  CYS  25           1HB      CYS  25  -3.796  -5.435   0.906
  179    H    CYS  26           H        CYS  26  -2.799  -7.832   0.256
  180    HA   CYS  26           HA       CYS  26  -0.059  -7.460   0.455
  181    HB2  CYS  26           2HB      CYS  26  -1.169  -9.285   1.554
  182    HB3  CYS  26           1HB      CYS  26  -1.716  -9.959   0.019
  183    H    ASP  27           H        ASP  27  -1.858  -8.734  -2.324
  184    HA   ASP  27           HA       ASP  27   0.604  -9.196  -3.879
  185    HB2  ASP  27           2HB      ASP  27  -1.805 -10.386  -3.810
  186    HB3  ASP  27           1HB      ASP  27  -2.131  -9.201  -5.076
  187    H    PHE  28           H        PHE  28  -1.906  -6.739  -3.545
  188    HA   PHE  28           HA       PHE  28  -1.571  -5.340  -5.995
  189    HB2  PHE  28           2HB      PHE  28  -3.383  -4.715  -4.641
  190    HB3  PHE  28           1HB      PHE  28  -2.392  -4.655  -3.180
  191    HD1  PHE  28           2HD      PHE  28  -2.174  -3.077  -6.589
  192    HD2  PHE  28           1HD      PHE  28  -2.203  -2.502  -2.333
  193    HE1  PHE  28           2HE      PHE  28  -1.815  -0.644  -6.914
  194    HE2  PHE  28           1HE      PHE  28  -1.844  -0.073  -2.656
  195    HZ   PHE  28           HZ       PHE  28  -1.650   0.858  -4.948
  196    H    VAL  29           H        VAL  29  -0.147  -4.318  -2.848
  197    HA   VAL  29           HA       VAL  29   1.727  -2.510  -3.961
  198    HB   VAL  29           HB       VAL  29   1.555  -2.335  -1.652
  199   HG11  VAL  29          1HG1      VAL  29   1.106  -5.233  -1.786
  200   HG12  VAL  29          2HG1      VAL  29   0.417  -4.030  -0.691
  201   HG13  VAL  29          3HG1      VAL  29   2.008  -4.717  -0.361
  202   HG21  VAL  29          3HG2      VAL  29   3.938  -4.161  -2.053
  203   HG22  VAL  29          1HG2      VAL  29   3.644  -3.216  -0.592
  204   HG23  VAL  29          2HG2      VAL  29   3.933  -2.399  -2.129
  205    H    LYS  30           H        LYS  30   1.868  -6.001  -3.522
  206    HA   LYS  30           HA       LYS  30   4.629  -6.377  -4.268
  207    HB2  LYS  30           2HB      LYS  30   2.788  -7.901  -3.139
  208    HB3  LYS  30           1HB      LYS  30   2.416  -8.343  -4.806
  209    HG2  LYS  30           2HG      LYS  30   4.353  -9.515  -5.065
  210    HG3  LYS  30           1HG      LYS  30   5.292  -8.369  -4.106
  211    HD2  LYS  30           2HD      LYS  30   5.171 -10.461  -2.881
  212    HD3  LYS  30           1HD      LYS  30   4.171  -9.266  -2.049
  213    HE2  LYS  30           2HE      LYS  30   2.564 -10.899  -2.140
  214    HE3  LYS  30           1HE      LYS  30   2.366 -10.362  -3.820
  215    HZ1  LYS  30           3HZ      LYS  30   4.050 -12.573  -2.796
  216    HZ2  LYS  30           1HZ      LYS  30   4.301 -11.892  -4.329
  217    HZ3  LYS  30           2HZ      LYS  30   2.821 -12.646  -3.967
  218    H    ASP  31           H        ASP  31   1.664  -5.845  -6.036
  219    HA   ASP  31           HA       ASP  31   2.647  -6.803  -8.614
  220    HB2  ASP  31           2HB      ASP  31   0.241  -6.617  -7.675
  221    HB3  ASP  31           1HB      ASP  31   0.354  -4.906  -8.085
  222    H    ILE  32           H        ILE  32   2.915  -3.874  -6.786
  223    HA   ILE  32           HA       ILE  32   3.536  -2.234  -9.187
  224    HB   ILE  32           HB       ILE  32   3.828  -1.234  -6.380
  225   HG12  ILE  32          2HG1      ILE  32   1.182  -2.012  -7.652
  226   HG13  ILE  32          1HG1      ILE  32   1.822  -2.548  -6.100
  227   HG21  ILE  32          1HG2      ILE  32   4.147   0.282  -8.260
  228   HG22  ILE  32          2HG2      ILE  32   2.665   0.725  -7.410
  229   HG23  ILE  32          3HG2      ILE  32   2.578  -0.167  -8.928
  230   HD11  ILE  32          3HD1      ILE  32   0.446  -0.036  -6.792
  231   HD12  ILE  32          1HD1      ILE  32   1.883   0.170  -5.790
  232   HD13  ILE  32          2HD1      ILE  32   0.565  -0.865  -5.239
  233    H    ARG  33           H        ARG  33   5.226  -4.496  -7.694
  234    HA   ARG  33           HA       ARG  33   7.543  -4.892  -7.430
  235    HB2  ARG  33           2HB      ARG  33   7.146  -3.099  -9.540
  236    HB3  ARG  33           1HB      ARG  33   8.404  -2.342  -8.563
  237    HG2  ARG  33           2HG      ARG  33   9.573  -4.609  -8.548
  238    HG3  ARG  33           1HG      ARG  33   8.429  -5.103  -9.796
  239    HD2  ARG  33           2HD      ARG  33   9.172  -3.214 -11.224
  240    HD3  ARG  33           1HD      ARG  33  10.348  -2.752  -9.977
  241    HE   ARG  33           HE       ARG  33  10.890  -5.422 -10.362
  242   HH11  ARG  33          1HH2      ARG  33  10.513  -2.694 -12.447
  243   HH12  ARG  33          2HH2      ARG  33  11.622  -3.288 -13.636
  244   HH21  ARG  33          1HH1      ARG  33  12.335  -6.207 -11.906
  245   HH22  ARG  33          2HH1      ARG  33  12.652  -5.276 -13.331
  246    H    MET  34           H        MET  34   5.866  -3.063  -5.573
  247    HA   MET  34           HA       MET  34   7.647  -1.086  -4.460
  248    HB2  MET  34           2HB      MET  34   5.167  -2.558  -3.566
  249    HB3  MET  34           1HB      MET  34   5.963  -1.386  -2.513
  250    HG2  MET  34           2HG      MET  34   5.351  -0.613  -5.346
  251    HG3  MET  34           1HG      MET  34   4.047  -0.603  -4.154
  252    HE1  MET  34           3HE      MET  34   4.227   1.535  -5.466
  253    HE2  MET  34           1HE      MET  34   5.761   2.400  -5.630
  254    HE3  MET  34           2HE      MET  34   4.546   2.964  -4.485
  255    H    ASN  35           H        ASN  35   7.809  -1.560  -1.775
  256    HA   ASN  35           HA       ASN  35   9.685  -3.880  -1.652
  257    HB2  ASN  35           2HB      ASN  35   9.738  -1.190  -0.815
  258    HB3  ASN  35           1HB      ASN  35   9.596  -2.135   0.668
  259   HD21  ASN  35          1HD2      ASN  35  11.707  -2.277   1.474
  260   HD22  ASN  35          2HD2      ASN  35  13.058  -2.773   0.557
  261    HA   PRO  36           HA       PRO  36   6.264  -5.722   0.641
  262    HB2  PRO  36           2HB      PRO  36   7.241  -8.266   0.502
  263    HB3  PRO  36           1HB      PRO  36   6.329  -7.508  -0.820
  264    HG2  PRO  36           2HG      PRO  36   9.256  -7.927  -0.533
  265    HG3  PRO  36           1HG      PRO  36   8.243  -7.991  -1.982
  266    HD2  PRO  36           2HD      PRO  36   9.849  -5.867  -1.321
  267    HD3  PRO  36           1HD      PRO  36   8.404  -5.746  -2.350
  268    HA   PRO  37           HA       PRO  37   8.871  -5.746   4.288
  269    HB2  PRO  37           2HB      PRO  37   6.878  -5.123   6.052
  270    HB3  PRO  37           1HB      PRO  37   7.694  -3.906   5.053
  271    HG2  PRO  37           2HG      PRO  37   5.013  -5.109   4.746
  272    HG3  PRO  37           1HG      PRO  37   5.590  -3.501   4.292
  273    HD2  PRO  37           2HD      PRO  37   5.206  -5.657   2.554
  274    HD3  PRO  37           1HD      PRO  37   6.128  -4.180   2.200
  275    H    ALA  38           H        ALA  38   9.334  -7.581   5.465
  276    HA   ALA  38           HA       ALA  38   7.765  -9.971   5.264
  277    HB1  ALA  38           1HB      ALA  38   9.583  -9.727   7.565
  278    HB2  ALA  38           2HB      ALA  38  10.305  -9.211   6.041
  279    HB3  ALA  38           3HB      ALA  38   9.650 -10.841   6.199
  280    H    ASP  39           H        ASP  39   7.306  -7.211   7.196
  281    HA   ASP  39           HA       ASP  39   6.245  -8.481   9.585
  282    HB2  ASP  39           2HB      ASP  39   7.194  -6.151   9.336
  283    HB3  ASP  39           1HB      ASP  39   5.736  -5.716   8.443
  284    H    LYS  40           H        LYS  40   4.987  -7.725   6.428
  285    HA   LYS  40           HA       LYS  40   2.199  -8.286   7.373
  286    HB2  LYS  40           2HB      LYS  40   3.123  -7.034   4.775
  287    HB3  LYS  40           1HB      LYS  40   1.511  -6.967   5.487
  288    HG2  LYS  40           2HG      LYS  40   2.791  -5.873   7.521
  289    HG3  LYS  40           1HG      LYS  40   3.997  -5.496   6.289
  290    HD2  LYS  40           2HD      LYS  40   1.226  -4.944   5.469
  291    HD3  LYS  40           1HD      LYS  40   1.782  -3.966   6.827
  292    HE2  LYS  40           2HE      LYS  40   2.483  -2.685   4.980
  293    HE3  LYS  40           1HE      LYS  40   3.937  -3.642   5.326
  294    HZ1  LYS  40           3HZ      LYS  40   2.871  -3.640   2.939
  295    HZ2  LYS  40           1HZ      LYS  40   1.866  -4.823   3.623
  296    HZ3  LYS  40           2HZ      LYS  40   3.549  -5.054   3.594
  297    H    CYS  41           H        CYS  41   4.021  -8.684   4.309
  298    HA   CYS  41           HA       CYS  41   2.905 -11.469   4.141
  299    HB2  CYS  41           2HB      CYS  41   2.943  -9.144   2.326
  300    HB3  CYS  41           1HB      CYS  41   3.414 -10.663   1.558
  301    HA   PRO  42           HA       PRO  42   7.364 -12.168   4.132
  302    HB2  PRO  42           2HB      PRO  42   7.177 -14.853   4.628
  303    HB3  PRO  42           1HB      PRO  42   7.056 -13.625   5.903
  304    HG2  PRO  42           2HG      PRO  42   4.900 -15.150   4.531
  305    HG3  PRO  42           1HG      PRO  42   5.037 -14.663   6.227
  306    HD2  PRO  42           2HD      PRO  42   3.461 -13.375   4.405
  307    HD3  PRO  42           1HD      PRO  42   4.159 -12.587   5.841