*HEADER    TOXIN                                   21-AUG-12   2LXG              
*TITLE     NMR SOLUTION STRUCTURE OF MU-CONOTOXIN KIIIA                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MU-CONOTOXIN KIIIA;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-16;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS KINOSHITAI;                               
*SOURCE   4 ORGANISM_COMMON: KINOSHITA'S CONE;                                   
*SOURCE   5 ORGANISM_TAXID: 376876                                               
*KEYWDS    CONOTOXIN, DISULFIDE ISOMER, TOXIN, VOLTAGE GATED SODIUM CHANNELS,    
*KEYWDS   2 HELICAL                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.K.KHOO, R.S.NORTON                                                  
*REVDAT   1   06-FEB-13 2LXG    0                                                



class intra (97)

assign (resid    1 and name   HA ) (resid    1 and name  HB1 ) 4.55 2.75 0.0
assign (resid    1 and name   HA ) (resid    1 and name  HB2 ) 4.03 2.23 0.0
assign (resid    1 and name  HB2 ) (resid    1 and name  HB1 ) 2.97 1.17 0.0

assign (resid    2 and name   HA ) (resid    2 and name  HB1 ) 3.94 2.14 0.0
assign (resid    2 and name   HA ) (resid    2 and name  HB2 ) 3.40 1.60 0.0 
assign (resid    2 and name  HB2 ) (resid    2 and name  HB1 ) 3.62 1.82 0.0
assign (resid    2 and name   HN ) (resid    2 and name   HA ) 3.51 1.71 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB1 ) 3.52 1.72 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB2 ) 4.10 2.30 0.0

assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 3.40 1.60 0.0 
assign (resid    3 and name   HA ) (resid    3 and name  HB2 ) 3.54 1.74 0.0
assign (resid    3 and name  HB2 ) (resid    3 and name  HB1 ) 2.91 1.11 0.0
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 3.46 1.66 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 3.62 1.82 0.0 
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 3.65 1.82 0.0 

assign (resid    4 and name   HA ) (resid    4 and name  HB2 ) 4.09 2.29 0.0 
assign (resid    4 and name   HA ) (resid    4 and name  HB1 ) 3.40 1.60 0.0 
assign (resid    4 and name  HB2 ) (resid    4 and name  HB1 ) 3.45 1.65 0.0
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 3.64 1.84 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB2 ) 3.90 2.10 0.0 
assign (resid    4 and name   HN ) (resid    4 and name  HB1 ) 3.90 2.10 0.0 

assign (resid    5 and name   HA ) (resid    5 and name  HB# ) 3.74 1.94 0.0
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 3.66 1.86 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB# ) 3.46 1.66 0.0

assign (resid    6 and name   HA ) (resid    6 and name  HB1 ) 3.82 2.02 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB2 ) 4.46 2.66 0.0
assign (resid    6 and name  HB2 ) (resid    6 and name  HB1 ) 2.76 0.96 0.0
assign (resid    6 and name   HN ) (resid    6 and name   HA ) 3.73 1.93 0.0
assign (resid    6 and name   HN ) (resid    6 and name  HB1 ) 3.39 1.59 0.0
assign (resid    6 and name   HN ) (resid    6 and name  HB2 ) 3.55 1.75 0.0 

assign (resid    7 and name   HA ) (resid    7 and name  HB# ) 3.03 1.23 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HD1 ) 4.98 3.18 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG# ) 4.05 2.25 0.0
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 3.00 1.20 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB# ) 2.47 0.67 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HD1 ) 4.90 3.10 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HD2 ) 4.82 3.02 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG# ) 4.33 2.53 0.0

assign (resid    8 and name   HA ) (resid    8 and name  HB1 ) 3.22 1.42 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB2 ) 4.04 2.24 0.0
assign (resid    8 and name  HB2 ) (resid    8 and name  HB1 ) 2.40 0.60 0.0
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.01 1.21 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 2.61 0.81 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB2 ) 2.74 0.94 0.0

assign (resid    9 and name   HA ) (resid    9 and name  HB1 ) 3.58 1.78 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB2 ) 2.94 1.14 0.0
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 2.84 1.04 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB1 ) 3.88 2.08 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB2 ) 3.88 2.08 0.0

assign (resid   10 and name   HA ) (resid   10 and name  HB1 ) 3.28 1.48 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HB2 ) 4.10 2.30 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HD1 ) 4.64 2.84 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HD2 ) 5.01 3.21 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HG1 ) 3.46 1.66 0.0
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.23 1.43 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 3.41 1.61 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 2.88 1.08 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD1 ) 4.80 3.00 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD2 ) 4.84 3.04 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HG1 ) 3.45 1.65 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HG2 ) 3.70 1.90 0.0

assign (resid   11 and name   HA ) (resid   11 and name  HB1 ) 4.46 2.66 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HB2 ) 3.42 1.62 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.28 1.48 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB1 ) 3.71 1.91 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB2 ) 3.02 1.22 0.0

assign (resid   12 and name   HA ) (resid   12 and name  HB2 ) 4.29 2.49 0.0  
assign (resid   12 and name   HA ) (resid   12 and name  HB1 ) 3.91 2.11 0.0  
assign (resid   12 and name  HB2 ) (resid   12 and name  HB1 ) 2.82 1.02 0.0
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 3.64 1.84 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB2 ) 3.88 2.08 0.0  
assign (resid   12 and name   HN ) (resid   12 and name  HB1 ) 4.15 2.35 0.0  
assign (resid   12 and name   HN ) (resid   12 and name  HD2 ) 4.54 2.74 0.0

assign (resid   13 and name   HA ) (resid   13 and name  HB1 ) 3.77 1.97 0.0
assign (resid   13 and name   HA ) (resid   13 and name  HB2 ) 3.59 1.79 0.0
assign (resid   13 and name  HB2 ) (resid   13 and name  HB1 ) 2.69 0.89 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB1 ) 3.81 2.01 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB2 ) 4.01 2.21 0.0
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.44 1.64 0.0

assign (resid   14 and name   HA ) (resid   14 and name  HB# ) 3.40 1.60 0.0
assign (resid   14 and name   HA ) (resid   14 and name  HD# ) 4.21 2.41 0.0
assign (resid   14 and name   HA ) (resid   14 and name  HG# ) 3.49 1.69 0.0
assign (resid   14 and name   HN ) (resid   14 and name   HA ) 3.81 2.01 0.0
assign (resid   14 and name   HN ) (resid   14 and name  HB# ) 4.19 2.39 0.0
assign (resid   14 and name   HN ) (resid   14 and name  HD# ) 5.27 3.47 0.0
assign (resid   14 and name   HN ) (resid   14 and name  HG# ) 3.31 1.51 0.0

assign (resid   15 and name   HA ) (resid   15 and name  HB1 ) 4.90 3.10 0.0
assign (resid   15 and name   HA ) (resid   15 and name  HB2 ) 3.90 2.10 0.0
assign (resid   15 and name   HN ) (resid   15 and name   HA ) 3.61 1.81 0.0
assign (resid   15 and name   HN ) (resid   15 and name  HB1 ) 3.62 1.82 0.0
assign (resid   15 and name   HN ) (resid   15 and name  HB2 ) 3.51 1.71 0.0

assign (resid   16 and name   HA ) (resid   16 and name  HB1 ) 3.72 1.92 0.0
assign (resid   16 and name   HA ) (resid   16 and name  HB2 ) 3.89 2.09 0.0
assign (resid   16 and name  HB2 ) (resid   16 and name  HB1 ) 2.54 0.74 0.0
assign (resid   16 and name   HN ) (resid   16 and name   HA ) 3.53 1.73 0.0
assign (resid   16 and name   HN ) (resid   16 and name  HB1 ) 3.39 1.59 0.0
assign (resid   16 and name   HN ) (resid   16 and name  HB2 ) 3.95 2.15 0.0


class seq (70)

assign (resid    1 and name   HA ) (resid    2 and name   HN ) 2.92 1.12 0.0
assign (resid    1 and name  HB1 ) (resid    2 and name   HN ) 4.45 2.65 0.0
assign (resid    1 and name  HB2 ) (resid    2 and name   HN ) 3.95 2.15 0.0

assign (resid    2 and name   HA ) (resid    3 and name   HN ) 3.50 1.70 0.0 
assign (resid    2 and name  HB2 ) (resid    3 and name   HN ) 3.41 1.61 0.0 
assign (resid    2 and name   HN ) (resid    3 and name   HN ) 4.58 2.78 0.0

assign (resid    3 and name   HA ) (resid    4 and name  HB2 ) 4.35 2.55 0.0
assign (resid    3 and name   HA ) (resid    4 and name   HN ) 2.80 1.00 0.0
assign (resid    3 and name  HB1 ) (resid    4 and name   HN ) 4.87 3.07 0.0
assign (resid    3 and name  HB2 ) (resid    4 and name   HN ) 5.18 3.38 0.0

assign (resid    4 and name   HA ) (resid    5 and name   HN ) 4.20 2.40 0.0
assign (resid    4 and name  HB2 ) (resid    5 and name   HN ) 4.52 2.72 0.0
assign (resid    4 and name  HB1 ) (resid    5 and name   HN ) 5.18 3.38 0.0
assign (resid    4 and name   HN ) (resid    5 and name   HN ) 3.77 1.97 0.0

assign (resid    5 and name   HN ) (resid    6 and name   HN ) 3.29 1.49 0.0
assign (resid    5 and name   HA ) (resid    6 and name   HN ) 3.55 1.75 0.0 
assign (resid    5 and name  HB# ) (resid    6 and name   HN ) 4.44 2.64 0.0

assign (resid    6 and name   HA ) (resid    7 and name   HA ) 4.95 3.15 0.0
assign (resid    6 and name   HA ) (resid    7 and name  HB# ) 4.24 2.44 0.0
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 2.40 0.60 0.0
assign (resid    6 and name  HB1 ) (resid    7 and name   HN ) 3.87 2.07 0.0
assign (resid    6 and name  HB2 ) (resid    7 and name   HN ) 4.56 2.76 0.0 
assign (resid    6 and name   HN ) (resid    7 and name   HN ) 4.45 2.65 0.0

assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.88 2.08 0.0
assign (resid    7 and name  HB# ) (resid    8 and name   HN ) 2.93 1.13 0.0
assign (resid    7 and name  HG# ) (resid    8 and name   HN ) 4.44 2.64 0.0
assign (resid    7 and name   HN ) (resid    8 and name   HN ) 3.13 1.33 0.0
assign (resid    7 and name   HA ) (resid    8 and name   HA ) 4.95 3.15 0.0 

assign (resid    8 and name   HA ) (resid    9 and name   HN ) 4.00 2.20 0.0 
assign (resid    8 and name  HB1 ) (resid    9 and name   HN ) 3.03 1.23 0.0
assign (resid    8 and name  HB2 ) (resid    9 and name   HN ) 3.79 1.99 0.0
assign (resid    8 and name  HE3 ) (resid    9 and name  HB1 ) 4.42 2.63 0.0 
assign (resid    8 and name  HE3 ) (resid    9 and name  HB2 ) 4.82 3.02 0.0
assign (resid    8 and name   HN ) (resid    9 and name   HN ) 2.99 1.19 0.0

assign (resid    9 and name   HA ) (resid   10 and name   HA ) 5.00 3.20 0.0                                                       
assign (resid    9 and name  HB1 ) (resid   10 and name   HA ) 4.70 2.90 0.0                                                       
assign (resid    9 and name  HB2 ) (resid   10 and name   HA ) 4.70 2.90 0.0                                                       
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 3.63 1.83 0.0
assign (resid    9 and name  HB1 ) (resid   10 and name   HN ) 3.62 1.82 0.0
assign (resid    9 and name  HB2 ) (resid   10 and name   HN ) 3.62 1.82 0.0 
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 3.03 1.23 0.0

assign (resid   10 and name   HA ) (resid   11 and name   HN ) 4.13 2.33 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HA ) 4.95 3.15 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HN ) 3.88 2.08 0.0
assign (resid   10 and name  HB2 ) (resid   11 and name   HA ) 4.65 2.85 0.0
assign (resid   10 and name  HG1 ) (resid   11 and name   HN ) 4.71 2.91 0.0
assign (resid   10 and name   HN ) (resid   11 and name   HN ) 3.29 1.49 0.0

assign (resid   11 and name   HA ) (resid   12 and name   HN ) 3.71 1.91 0.0
assign (resid   11 and name  HB1 ) (resid   12 and name  HD2 ) 4.51 2.71 0.0
assign (resid   11 and name  HB1 ) (resid   12 and name   HN ) 4.34 2.54 0.0
assign (resid   11 and name  HB2 ) (resid   12 and name  HD2 ) 3.95 2.15 0.0
assign (resid   11 and name  HB2 ) (resid   12 and name   HN ) 4.24 2.44 0.0
assign (resid   11 and name   HN ) (resid   12 and name   HN ) 3.19 1.39 0.0

assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.89 2.09 0.0
assign (resid   12 and name  HB2 ) (resid   13 and name   HN ) 4.98 3.18 0.0
assign (resid   12 and name  HB1 ) (resid   13 and name   HN ) 5.18 3.38 0.0
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 3.19 1.39 0.0

assign (resid   13 and name   HA ) (resid   14 and name  HG# ) 4.95 3.15 0.0
assign (resid   13 and name   HA ) (resid   14 and name   HN ) 3.06 1.26 0.0
assign (resid   13 and name  HB1 ) (resid   14 and name   HN ) 3.89 2.09 0.0
assign (resid   13 and name  HB2 ) (resid   14 and name   HN ) 3.33 1.53 0.0
assign (resid   13 and name   HN ) (resid   14 and name   HN ) 5.22 3.42 0.0

assign (resid   14 and name   HA ) (resid   15 and name   HN ) 3.77 1.97 0.0
assign (resid   14 and name  HB# ) (resid   15 and name   HN ) 5.04 3.24 0.0
assign (resid   14 and name  HG# ) (resid   15 and name   HN ) 4.48 2.68 0.0
assign (resid   14 and name   HN ) (resid   15 and name   HN ) 3.50 1.70 0.0

assign (resid   15 and name   HA ) (resid   16 and name   HN ) 4.35 2.55 0.0
assign (resid   15 and name  HB1 ) (resid   16 and name   HN ) 4.23 2.43 0.0
assign (resid   15 and name  HB2 ) (resid   16 and name   HN ) 4.84 3.04 0.0
assign (resid   15 and name   HN ) (resid   16 and name   HN ) 3.56 1.76 0.0



class short (45)

assign (resid    3 and name   HA ) (resid    5 and name   HN ) 4.42 2.62 0.0
assign (resid    3 and name  HB2 ) (resid    5 and name   HN ) 4.78 2.98 0.0
assign (resid    3 and name HD21 ) (resid    5 and name   HA ) 5.04 3.24 0.0
assign (resid    3 and name HD21 ) (resid    5 and name  HB# ) 4.78 2.98 0.0
assign (resid    3 and name HD22 ) (resid    5 and name  HB# ) 4.24 2.44 0.0

assign (resid    6 and name   HN ) (resid    3 and name  HB2 ) 4.84 3.04 0.0 
assign (resid    6 and name  HB1 ) (resid    8 and name  HB1 ) 4.49 2.69 0.0
assign (resid    6 and name   HA ) (resid    8 and name   HN ) 3.99 2.19 0.0
assign (resid    6 and name  HB1 ) (resid    8 and name   HN ) 4.21 2.41 0.0
assign (resid    6 and name   HA ) (resid    9 and name   HN ) 4.62 2.82 0.0
assign (resid    6 and name  HB1 ) (resid    9 and name  HB1 ) 4.15 2.35 0.0
assign (resid    6 and name  HB1 ) (resid    9 and name  HB2 ) 3.45 1.65 0.0
assign (resid    6 and name  HB1 ) (resid    9 and name   HN ) 3.95 2.15 0.0
assign (resid    6 and name   HN ) (resid    9 and name  HB1 ) 4.73 2.93 0.0
assign (resid    6 and name   HN ) (resid    9 and name  HB2 ) 4.29 2.49 0.0

assign (resid    7 and name   HN ) (resid    9 and name   HN ) 4.78 2.98 0.0
assign (resid    7 and name   HA ) (resid    9 and name   HN ) 5.00 3.20 0.0 
assign (resid    7 and name   HA ) (resid   10 and name  HB1 ) 4.10 2.30 0.0
assign (resid    7 and name   HA ) (resid   10 and name  HB2 ) 4.01 2.21 0.0
assign (resid    7 and name   HA ) (resid   10 and name   HE ) 3.85 2.05 0.0
assign (resid    7 and name   HA ) (resid   10 and name   HN ) 3.62 1.82 0.0
assign (resid    7 and name   HA ) (resid   11 and name   HN ) 4.54 2.74 0.0

assign (resid    8 and name   HN ) (resid   10 and name   HN ) 4.37 2.57 0.0
assign (resid    8 and name   HN ) (resid   11 and name   HN ) 4.62 2.82 0.0
assign (resid    8 and name   HA ) (resid   11 and name  HB1 ) 4.50 2.70 0.0 
assign (resid    8 and name   HA ) (resid   11 and name  HB2 ) 4.00 2.20 0.0 
assign (resid    8 and name   HA ) (resid   12 and name  HD2 ) 4.01 2.21 0.0 
assign (resid    8 and name  HD1 ) (resid   12 and name  HE1 ) 4.95 3.15 0.0
assign (resid    8 and name  HD1 ) (resid   12 and name  HB2 ) 4.35 2.55 0.0
assign (resid    8 and name  HE1 ) (resid   12 and name  HB2 ) 4.51 2.71 0.0
assign (resid    8 and name  HE1 ) (resid   12 and name  HB1 ) 4.27 2.47 0.0
assign (resid    8 and name  HE3 ) (resid   12 and name  HB2 ) 5.27 3.47 0.0
assign (resid    8 and name  HZ2 ) (resid   12 and name  HB1 ) 4.54 2.74 0.0
assign (resid    8 and name  HE1 ) (resid   12 and name  HD2 ) 4.48 2.68 0.0

assign (resid    9 and name   HA ) (resid   12 and name  HB2 ) 4.45 2.65 0.0
assign (resid    9 and name   HA ) (resid   12 and name  HB1 ) 4.90 3.10 0.0
assign (resid    9 and name   HA ) (resid   13 and name   HN ) 4.80 3.00 0.0

assign (resid   10 and name   HA ) (resid   12 and name   HN ) 5.18 3.38 0.0
assign (resid   10 and name   HA ) (resid   13 and name   HN ) 4.90 3.10 0.0

assign (resid   11 and name   HN ) (resid   13 and name   HN ) 4.95 3.15 0.0

assign (resid   13 and name   HA ) (resid   15 and name   HN ) 4.42 2.62 0.0
assign (resid   13 and name  HB1 ) (resid   15 and name   HN ) 4.12 2.32 0.0
assign (resid   13 and name  HB2 ) (resid   15 and name   HN ) 3.67 1.87 0.0
assign (resid   13 and name  HB2 ) (resid   16 and name   HN ) 5.04 3.24 0.0

assign (resid   14 and name   HA ) (resid   16 and name   HN ) 4.42 2.62 0.0


class long (19)

assign (resid    2 and name  HB2 ) (resid    8 and name  HE3 )  4.98 3.18 0.0
assign (resid    2 and name  HB1 ) (resid    8 and name  HZ2 )  5.50 3.70 0.0
assign (resid    2 and name  HB2 ) (resid    8 and name  HZ3 )  5.23 3.43 0.0 
assign (resid    2 and name  HB1 ) (resid    8 and name  HZ3 )  5.50 3.70 0.0 
assign (resid    2 and name  HB2 ) (resid    9 and name  HB1 )  4.70 2.90 0.0  
assign (resid    2 and name  HB2 ) (resid    9 and name  HB2 )  4.70 2.90 0.0 

assign (resid    3 and name   HN ) (resid    9 and name  HB1 ) 4.82 3.02 0.0 

assign (resid    4 and name  HB2 ) (resid   16 and name   HA ) 5.28 3.48 0.0 
assign (resid    4 and name   HA ) (resid   10 and name  HB1 ) 5.36 3.56 0.0
assign (resid    4 and name   HA ) (resid   10 and name  HB2 ) 5.01 3.21 0.0
assign (resid    4 and name   HA ) (resid   10 and name  HG1 ) 4.35 2.55 0.0
assign (resid    4 and name   HA ) (resid   10 and name   HN ) 4.73 2.93 0.0 

assign (resid   10 and name   HA ) (resid   16 and name  HB1 ) 4.00 2.20 0.0 
assign (resid   10 and name   HA ) (resid   16 and name  HB2 ) 4.00 2.20 0.0 
assign (resid   10 and name   HA ) (resid   16 and name   HN ) 4.37 2.57 0.0
assign (resid   10 and name  HB1 ) (resid   16 and name  HB1 ) 5.01 3.21 0.0
assign (resid   10 and name  HB1 ) (resid   16 and name  HB2 ) 5.31 3.51 0.0
assign (resid   10 and name  HG1 ) (resid   16 and name  HB1 ) 4.14 2.34 0.0
assign (resid   10 and name  HG1 ) (resid   16 and name  HB2 ) 4.04 2.24 0.0


                                                    




















Phi Angles

assign (resid  6 and name C  ) (resid  7 and name N )
       (resid  7 and name CA ) (resid  7 and name C ) 1.0  -60.0  40.0 2    

assign (resid  7 and name C  ) (resid  8 and name N )
       (resid  8 and name CA ) (resid  8 and name C ) 1.0  -60.0  40.0 2    

assign (resid  8 and name C  ) (resid  9 and name N )
       (resid  9 and name CA ) (resid  9 and name C ) 1.0  -60.0  40.0 2                                                    

assign (resid  9 and name C  ) (resid  10 and name N )
       (resid  10 and name CA ) (resid  10 and name C ) 1.0 -60.0  40.0 2

assign (resid  10 and name C  ) (resid  11 and name N )
       (resid  11 and name CA ) (resid  11 and name C ) 1.0 -60.0  40.0 2


Chi1 Angles


assign (resid  4 and name N  ) (resid  4 and name CA )
      (resid  4 and name CB ) (resid  4 and name SG ) 1.0 -60.0  30.0 2

assign (resid  10 and name N  ) (resid  10 and name CA )
      (resid  10 and name CB ) (resid  10 and name CG ) 1.0 -60.0  30.0 2

assign (resid  12 and name N  ) (resid  12 and name CA )
      (resid  12 and name CB ) (resid  12 and name CG ) 1.0 -60.0  30.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   2.351   9.051  -3.941
    2    HA   CYS   1           HA       CYS   1   2.486   6.643  -4.540
    3    HB2  CYS   1           2HB      CYS   1   3.147   7.634  -2.160
    4    HB3  CYS   1           1HB      CYS   1   1.816   6.608  -1.617
    5    H    CYS   2           H        CYS   2   1.407   4.480  -3.324
    6    HA   CYS   2           HA       CYS   2  -1.273   4.331  -4.429
    7    HB2  CYS   2           2HB      CYS   2  -1.130   2.023  -3.456
    8    HB3  CYS   2           1HB      CYS   2   0.290   2.448  -4.420
    9    H    ASN   3           H        ASN   3  -2.789   2.938  -2.640
   10    HA   ASN   3           HA       ASN   3  -3.193   4.914  -0.424
   11    HB2  ASN   3           2HB      ASN   3  -5.554   3.942  -0.542
   12    HB3  ASN   3           1HB      ASN   3  -5.029   4.836  -1.972
   13   HD21  ASN   3          1HD2      ASN   3  -6.728   2.153  -1.254
   14   HD22  ASN   3          2HD2      ASN   3  -6.276   1.138  -2.537
   15    H    CYS   4           H        CYS   4  -3.158   4.164   1.677
   16    HA   CYS   4           HA       CYS   4  -2.088   1.551   2.268
   17    HB2  CYS   4           2HB      CYS   4  -3.263   3.862   3.808
   18    HB3  CYS   4           1HB      CYS   4  -2.785   2.378   4.641
   19    H    SER   5           H        SER   5  -5.208   2.465   1.392
   20    HA   SER   5           HA       SER   5  -6.742   0.768   3.195
   21    HB2  SER   5           2HB      SER   5  -7.424   1.879   0.457
   22    HB3  SER   5           1HB      SER   5  -8.566   1.374   1.698
   23    HG   SER   5           HG       SER   5  -8.420   3.371   2.334
   24    H    SER   6           H        SER   6  -4.650   0.067   0.638
   25    HA   SER   6           HA       SER   6  -6.039  -2.545   0.128
   26    HB2  SER   6           2HB      SER   6  -5.206  -0.424  -1.610
   27    HB3  SER   6           1HB      SER   6  -4.227  -1.848  -1.968
   28    HG   SER   6           HG       SER   6  -6.517  -1.483  -2.913
   29    H    LYS   7           H        LYS   7  -4.817  -4.338   0.614
   30    HA   LYS   7           HA       LYS   7  -2.347  -4.232   1.990
   31    HB2  LYS   7           2HB      LYS   7  -4.201  -6.097   1.485
   32    HB3  LYS   7           1HB      LYS   7  -3.027  -6.576   0.259
   33    HG2  LYS   7           2HG      LYS   7  -2.437  -7.814   2.207
   34    HG3  LYS   7           1HG      LYS   7  -1.272  -6.492   2.124
   35    HD2  LYS   7           2HD      LYS   7  -2.807  -5.182   3.662
   36    HD3  LYS   7           1HD      LYS   7  -3.727  -6.670   3.885
   37    HE2  LYS   7           2HE      LYS   7  -1.143  -7.537   4.314
   38    HE3  LYS   7           1HE      LYS   7  -1.123  -5.910   5.024
   39    HZ1  LYS   7           3HZ      LYS   7  -3.292  -7.879   5.501
   40    HZ2  LYS   7           1HZ      LYS   7  -3.052  -6.401   6.295
   41    HZ3  LYS   7           2HZ      LYS   7  -1.966  -7.682   6.546
   42    H    TRP   8           H        TRP   8  -3.019  -4.536  -1.484
   43    HA   TRP   8           HA       TRP   8  -0.433  -5.178  -2.439
   44    HB2  TRP   8           2HB      TRP   8  -2.386  -5.175  -3.861
   45    HB3  TRP   8           1HB      TRP   8  -2.687  -3.466  -3.531
   46    HD1  TRP   8           HD       TRP   8  -0.562  -5.791  -5.628
   47    HE1  TRP   8           1HE      TRP   8   0.779  -4.404  -7.339
   48    HE3  TRP   8           3HE      TRP   8  -1.555  -1.084  -3.917
   49    HZ2  TRP   8           2HZ      TRP   8   1.355  -1.659  -7.906
   50    HZ3  TRP   8           3HZ      TRP   8  -0.599   0.897  -5.060
   51    HH2  TRP   8           HH       TRP   8   0.853   0.616  -7.050
   52    H    CYS   9           H        CYS   9  -1.902  -1.963  -1.888
   53    HA   CYS   9           HA       CYS   9   0.280  -0.324  -2.619
   54    HB2  CYS   9           2HB      CYS   9  -1.894   0.571  -2.100
   55    HB3  CYS   9           1HB      CYS   9  -1.867  -0.130  -0.487
   56    H    ARG  10           H        ARG  10  -0.550  -1.582   0.610
   57    HA   ARG  10           HA       ARG  10   1.737  -0.648   2.003
   58    HB2  ARG  10           2HB      ARG  10  -0.102  -3.032   2.338
   59    HB3  ARG  10           1HB      ARG  10   1.053  -2.521   3.564
   60    HG2  ARG  10           2HG      ARG  10  -0.204  -0.730   4.183
   61    HG3  ARG  10           1HG      ARG  10  -0.640  -0.348   2.517
   62    HD2  ARG  10           2HD      ARG  10  -2.679  -1.032   3.604
   63    HD3  ARG  10           1HD      ARG  10  -2.175  -2.412   2.606
   64    HE   ARG  10           HE       ARG  10  -0.881  -2.770   5.061
   65   HH11  ARG  10          1HH2      ARG  10  -4.116  -2.429   3.895
   66   HH12  ARG  10          2HH2      ARG  10  -4.804  -3.416   5.141
   67   HH21  ARG  10          1HH1      ARG  10  -1.771  -4.057   6.690
   68   HH22  ARG  10          2HH1      ARG  10  -3.480  -4.336   6.720
   69    H    ASP  11           H        ASP  11   1.293  -3.473  -0.071
   70    HA   ASP  11           HA       ASP  11   3.898  -4.620   0.769
   71    HB2  ASP  11           2HB      ASP  11   1.482  -5.429  -0.779
   72    HB3  ASP  11           1HB      ASP  11   3.000  -6.222  -1.201
   73    H    HIS  12           H        HIS  12   2.381  -3.278  -2.183
   74    HA   HIS  12           HA       HIS  12   4.882  -3.513  -3.710
   75    HB2  HIS  12           2HB      HIS  12   2.047  -2.670  -4.126
   76    HB3  HIS  12           1HB      HIS  12   3.252  -2.055  -5.263
   77    HD1  HIS  12           1HD      HIS  12   3.709  -3.567  -7.181
   78    HD2  HIS  12           2HD      HIS  12   2.379  -5.694  -3.852
   79    HE1  HIS  12           1HE      HIS  12   3.557  -5.991  -7.896
   80    H    SER  13           H        SER  13   4.172  -1.488  -1.278
   81    HA   SER  13           HA       SER  13   5.949   0.619  -2.299
   82    HB2  SER  13           2HB      SER  13   3.634   1.982  -1.336
   83    HB3  SER  13           1HB      SER  13   4.295   1.990  -2.970
   84    HG   SER  13           HG       SER  13   2.569   0.005  -1.899
   85    H    ARG  14           H        ARG  14   6.858   1.824  -0.580
   86    HA   ARG  14           HA       ARG  14   6.244   0.784   2.150
   87    HB2  ARG  14           2HB      ARG  14   8.590   2.356   1.033
   88    HB3  ARG  14           1HB      ARG  14   8.504   1.643   2.644
   89    HG2  ARG  14           2HG      ARG  14   7.854  -0.357   0.675
   90    HG3  ARG  14           1HG      ARG  14   9.396   0.396   0.266
   91    HD2  ARG  14           2HD      ARG  14  10.445  -0.425   2.143
   92    HD3  ARG  14           1HD      ARG  14   8.981  -0.298   3.137
   93    HE   ARG  14           HE       ARG  14   8.341  -2.457   2.401
   94   HH11  ARG  14          1HH2      ARG  14  10.862  -1.111   0.460
   95   HH12  ARG  14          2HH2      ARG  14  11.136  -2.574  -0.424
   96   HH21  ARG  14          1HH1      ARG  14   8.686  -4.364   1.248
   97   HH22  ARG  14          2HH1      ARG  14   9.904  -4.412   0.018
   98    H    CYS  15           H        CYS  15   4.874   3.065   0.495
   99    HA   CYS  15           HA       CYS  15   5.449   5.532   1.897
  100    HB2  CYS  15           2HB      CYS  15   3.059   4.547   0.306
  101    HB3  CYS  15           1HB      CYS  15   3.332   6.228   0.763
  102    H    CYS  16           H        CYS  16   3.686   2.699   2.743
  103    HA   CYS  16           HA       CYS  16   1.921   4.106   4.667
  104    HB2  CYS  16           2HB      CYS  16   1.585   1.947   3.088
  105    HB3  CYS  16           1HB      CYS  16   2.175   1.137   4.543
  106    HN1  NH2  17           1H       CYS  16   4.996   2.411   4.631
  107    HN2  NH2  17           2H       CYS  16   5.224   2.367   6.313
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   1.649   9.276  -3.473
    2    HA   CYS   1           HA       CYS   1   2.373   7.078  -4.051
    3    HB2  CYS   1           2HB      CYS   1   2.297   7.046  -1.047
    4    HB3  CYS   1           1HB      CYS   1   2.481   5.518  -1.918
    5    H    CYS   2           H        CYS   2   1.372   4.650  -3.412
    6    HA   CYS   2           HA       CYS   2  -1.314   4.684  -4.391
    7    HB2  CYS   2           2HB      CYS   2  -1.195   2.250  -3.693
    8    HB3  CYS   2           1HB      CYS   2   0.161   2.788  -4.687
    9    H    ASN   3           H        ASN   3  -3.005   3.286  -2.965
   10    HA   ASN   3           HA       ASN   3  -3.452   4.900  -0.517
   11    HB2  ASN   3           2HB      ASN   3  -5.032   4.048  -2.586
   12    HB3  ASN   3           1HB      ASN   3  -5.387   2.826  -1.359
   13   HD21  ASN   3          1HD2      ASN   3  -6.178   3.645   0.784
   14   HD22  ASN   3          2HD2      ASN   3  -6.972   5.144   0.862
   15    H    CYS   4           H        CYS   4  -3.017   4.063   1.485
   16    HA   CYS   4           HA       CYS   4  -1.813   1.522   1.926
   17    HB2  CYS   4           2HB      CYS   4  -3.161   3.637   3.586
   18    HB3  CYS   4           1HB      CYS   4  -2.656   2.127   4.352
   19    H    SER   5           H        SER   5  -5.200   2.532   1.943
   20    HA   SER   5           HA       SER   5  -6.531   0.526   3.295
   21    HB2  SER   5           2HB      SER   5  -7.730   2.281   2.208
   22    HB3  SER   5           1HB      SER   5  -7.051   1.869   0.636
   23    HG   SER   5           HG       SER   5  -8.820   0.741   0.451
   24    H    SER   6           H        SER   6  -5.110   0.265   0.036
   25    HA   SER   6           HA       SER   6  -5.959  -2.546  -0.225
   26    HB2  SER   6           2HB      SER   6  -4.910  -0.364  -1.865
   27    HB3  SER   6           1HB      SER   6  -4.162  -1.913  -2.255
   28    HG   SER   6           HG       SER   6  -6.926  -1.844  -1.866
   29    H    LYS   7           H        LYS   7  -4.778  -4.086   0.833
   30    HA   LYS   7           HA       LYS   7  -2.314  -3.892   2.101
   31    HB2  LYS   7           2HB      LYS   7  -3.915  -6.032   0.786
   32    HB3  LYS   7           1HB      LYS   7  -2.241  -6.437   1.167
   33    HG2  LYS   7           2HG      LYS   7  -2.856  -6.785   3.302
   34    HG3  LYS   7           1HG      LYS   7  -3.259  -5.073   3.426
   35    HD2  LYS   7           2HD      LYS   7  -5.500  -5.719   2.306
   36    HD3  LYS   7           1HD      LYS   7  -5.075  -7.379   2.730
   37    HE2  LYS   7           2HE      LYS   7  -4.574  -5.912   5.072
   38    HE3  LYS   7           1HE      LYS   7  -6.111  -5.278   4.451
   39    HZ1  LYS   7           3HZ      LYS   7  -7.065  -7.371   4.415
   40    HZ2  LYS   7           1HZ      LYS   7  -6.153  -7.427   5.844
   41    HZ3  LYS   7           2HZ      LYS   7  -5.570  -8.177   4.436
   42    H    TRP   8           H        TRP   8  -2.935  -4.438  -1.349
   43    HA   TRP   8           HA       TRP   8  -0.354  -5.087  -2.269
   44    HB2  TRP   8           2HB      TRP   8  -2.271  -5.121  -3.718
   45    HB3  TRP   8           1HB      TRP   8  -2.613  -3.417  -3.406
   46    HD1  TRP   8           HD       TRP   8  -0.401  -5.713  -5.452
   47    HE1  TRP   8           1HE      TRP   8   0.908  -4.315  -7.176
   48    HE3  TRP   8           3HE      TRP   8  -1.561  -1.009  -3.838
   49    HZ2  TRP   8           2HZ      TRP   8   1.398  -1.565  -7.791
   50    HZ3  TRP   8           3HZ      TRP   8  -0.661   0.978  -5.013
   51    HH2  TRP   8           HH       TRP   8   0.816   0.707  -6.984
   52    H    CYS   9           H        CYS   9  -1.802  -1.844  -1.847
   53    HA   CYS   9           HA       CYS   9   0.369  -0.229  -2.608
   54    HB2  CYS   9           2HB      CYS   9  -1.867   0.581  -2.013
   55    HB3  CYS   9           1HB      CYS   9  -1.641   0.055  -0.349
   56    H    ARG  10           H        ARG  10  -0.373  -1.495   0.646
   57    HA   ARG  10           HA       ARG  10   2.029  -0.549   1.899
   58    HB2  ARG  10           2HB      ARG  10  -0.097  -2.609   2.444
   59    HB3  ARG  10           1HB      ARG  10   1.277  -2.447   3.532
   60    HG2  ARG  10           2HG      ARG  10   0.767  -0.073   3.873
   61    HG3  ARG  10           1HG      ARG  10  -0.577  -0.186   2.738
   62    HD2  ARG  10           2HD      ARG  10  -0.448  -2.000   5.151
   63    HD3  ARG  10           1HD      ARG  10  -1.151  -0.374   5.260
   64    HE   ARG  10           HE       ARG  10  -2.326  -1.410   2.990
   65   HH11  ARG  10          1HH2      ARG  10  -1.936  -2.480   6.252
   66   HH12  ARG  10          2HH2      ARG  10  -3.415  -3.380   6.268
   67   HH21  ARG  10          1HH1      ARG  10  -4.256  -2.580   3.003
   68   HH22  ARG  10          2HH1      ARG  10  -4.725  -3.439   4.432
   69    H    ASP  11           H        ASP  11   1.235  -3.535   0.164
   70    HA   ASP  11           HA       ASP  11   3.746  -4.843   0.945
   71    HB2  ASP  11           2HB      ASP  11   1.189  -5.501  -0.203
   72    HB3  ASP  11           1HB      ASP  11   2.467  -6.133  -1.241
   73    H    HIS  12           H        HIS  12   2.337  -3.766  -2.176
   74    HA   HIS  12           HA       HIS  12   4.753  -4.138  -3.690
   75    HB2  HIS  12           2HB      HIS  12   2.099  -2.800  -3.985
   76    HB3  HIS  12           1HB      HIS  12   3.366  -2.350  -5.131
   77    HD1  HIS  12           1HD      HIS  12   3.437  -3.804  -7.144
   78    HD2  HIS  12           2HD      HIS  12   1.974  -5.869  -3.831
   79    HE1  HIS  12           1HE      HIS  12   2.864  -6.135  -7.949
   80    H    SER  13           H        SER  13   3.361  -1.314  -2.021
   81    HA   SER  13           HA       SER  13   5.853   0.218  -2.667
   82    HB2  SER  13           2HB      SER  13   3.116   1.145  -1.737
   83    HB3  SER  13           1HB      SER  13   4.444   2.186  -2.254
   84    HG   SER  13           HG       SER  13   2.686   1.490  -3.825
   85    H    ARG  14           H        ARG  14   5.898   2.066  -0.695
   86    HA   ARG  14           HA       ARG  14   5.665   0.670   1.922
   87    HB2  ARG  14           2HB      ARG  14   8.087   1.324   2.349
   88    HB3  ARG  14           1HB      ARG  14   7.862   0.058   1.142
   89    HG2  ARG  14           2HG      ARG  14   9.176   1.365  -0.170
   90    HG3  ARG  14           1HG      ARG  14   7.715   2.321  -0.403
   91    HD2  ARG  14           2HD      ARG  14   8.652   3.308   1.995
   92    HD3  ARG  14           1HD      ARG  14  10.153   2.993   1.100
   93    HE   ARG  14           HE       ARG  14   8.191   5.014   0.419
   94   HH11  ARG  14          1HH2      ARG  14  10.410   2.684  -0.839
   95   HH12  ARG  14          2HH2      ARG  14  10.659   3.534  -2.327
   96   HH21  ARG  14          1HH1      ARG  14   8.507   6.130  -1.520
   97   HH22  ARG  14          2HH1      ARG  14   9.586   5.483  -2.712
   98    H    CYS  15           H        CYS  15   4.577   3.140   0.418
   99    HA   CYS  15           HA       CYS  15   5.603   5.428   1.935
  100    HB2  CYS  15           2HB      CYS  15   3.293   4.936   0.037
  101    HB3  CYS  15           1HB      CYS  15   3.630   6.519   0.738
  102    H    CYS  16           H        CYS  16   3.771   2.872   2.887
  103    HA   CYS  16           HA       CYS  16   1.640   4.289   4.326
  104    HB2  CYS  16           2HB      CYS  16   1.933   1.807   3.315
  105    HB3  CYS  16           1HB      CYS  16   2.451   1.494   4.975
  106    HN1  NH2  17           1H       CYS  16   4.576   2.427   5.339
  107    HN2  NH2  17           2H       CYS  16   4.730   3.193   6.846
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   2.564   8.599  -2.889
    2    HA   CYS   1           HA       CYS   1   2.319   6.526  -4.270
    3    HB2  CYS   1           2HB      CYS   1   2.693   4.882  -2.440
    4    HB3  CYS   1           1HB      CYS   1   3.604   6.374  -2.174
    5    H    CYS   2           H        CYS   2   1.093   4.261  -3.960
    6    HA   CYS   2           HA       CYS   2  -1.602   4.562  -4.701
    7    HB2  CYS   2           2HB      CYS   2  -1.704   2.109  -3.969
    8    HB3  CYS   2           1HB      CYS   2  -0.411   2.522  -5.102
    9    H    ASN   3           H        ASN   3  -3.273   3.112  -3.151
   10    HA   ASN   3           HA       ASN   3  -3.613   4.834  -0.755
   11    HB2  ASN   3           2HB      ASN   3  -5.891   3.921  -0.822
   12    HB3  ASN   3           1HB      ASN   3  -5.422   4.464  -2.437
   13   HD21  ASN   3          1HD2      ASN   3  -7.078   2.018  -1.078
   14   HD22  ASN   3          2HD2      ASN   3  -6.649   0.734  -2.103
   15    H    CYS   4           H        CYS   4  -2.458   4.026   0.984
   16    HA   CYS   4           HA       CYS   4  -1.573   1.444   1.517
   17    HB2  CYS   4           2HB      CYS   4  -2.658   3.614   3.335
   18    HB3  CYS   4           1HB      CYS   4  -1.795   2.196   3.939
   19    H    SER   5           H        SER   5  -4.846   2.707   1.807
   20    HA   SER   5           HA       SER   5  -6.101   0.863   3.491
   21    HB2  SER   5           2HB      SER   5  -7.781   2.172   2.734
   22    HB3  SER   5           1HB      SER   5  -6.760   2.739   1.415
   23    HG   SER   5           HG       SER   5  -8.427   0.444   1.491
   24    H    SER   6           H        SER   6  -4.882   0.371   0.224
   25    HA   SER   6           HA       SER   6  -6.152  -2.296   0.005
   26    HB2  SER   6           2HB      SER   6  -4.850  -0.287  -1.710
   27    HB3  SER   6           1HB      SER   6  -4.444  -1.952  -2.134
   28    HG   SER   6           HG       SER   6  -6.441  -0.957  -3.060
   29    H    LYS   7           H        LYS   7  -5.113  -4.035   0.887
   30    HA   LYS   7           HA       LYS   7  -2.663  -4.168   2.160
   31    HB2  LYS   7           2HB      LYS   7  -4.430  -6.047   0.677
   32    HB3  LYS   7           1HB      LYS   7  -2.801  -6.630   1.019
   33    HG2  LYS   7           2HG      LYS   7  -3.157  -5.949   3.426
   34    HG3  LYS   7           1HG      LYS   7  -4.844  -5.630   3.020
   35    HD2  LYS   7           2HD      LYS   7  -5.259  -7.811   3.401
   36    HD3  LYS   7           1HD      LYS   7  -4.313  -8.172   1.956
   37    HE2  LYS   7           2HE      LYS   7  -2.242  -7.987   3.530
   38    HE3  LYS   7           1HE      LYS   7  -3.424  -8.200   4.839
   39    HZ1  LYS   7           3HZ      LYS   7  -4.243 -10.179   3.791
   40    HZ2  LYS   7           1HZ      LYS   7  -2.563 -10.333   3.972
   41    HZ3  LYS   7           2HZ      LYS   7  -3.221  -9.958   2.452
   42    H    TRP   8           H        TRP   8  -3.235  -4.691  -1.333
   43    HA   TRP   8           HA       TRP   8  -0.645  -5.353  -2.183
   44    HB2  TRP   8           2HB      TRP   8  -2.469  -5.387  -3.719
   45    HB3  TRP   8           1HB      TRP   8  -2.891  -3.707  -3.369
   46    HD1  TRP   8           HD       TRP   8  -0.266  -5.822  -5.194
   47    HE1  TRP   8           1HE      TRP   8   0.931  -4.331  -6.923
   48    HE3  TRP   8           3HE      TRP   8  -2.295  -1.290  -4.005
   49    HZ2  TRP   8           2HZ      TRP   8   1.021  -1.579  -7.696
   50    HZ3  TRP   8           3HZ      TRP   8  -1.639   0.748  -5.252
   51    HH2  TRP   8           HH       TRP   8   0.015   0.610  -7.096
   52    H    CYS   9           H        CYS   9  -2.040  -2.051  -2.043
   53    HA   CYS   9           HA       CYS   9   0.178  -0.499  -2.670
   54    HB2  CYS   9           2HB      CYS   9  -2.138   0.254  -2.086
   55    HB3  CYS   9           1HB      CYS   9  -1.784  -0.068  -0.391
   56    H    ARG  10           H        ARG  10  -0.645  -1.837   0.533
   57    HA   ARG  10           HA       ARG  10   1.612  -0.860   1.964
   58    HB2  ARG  10           2HB      ARG  10  -0.143  -3.317   2.233
   59    HB3  ARG  10           1HB      ARG  10   0.979  -2.781   3.478
   60    HG2  ARG  10           2HG      ARG  10  -0.326  -1.001   4.081
   61    HG3  ARG  10           1HG      ARG  10  -0.874  -0.717   2.427
   62    HD2  ARG  10           2HD      ARG  10  -2.551  -2.366   2.563
   63    HD3  ARG  10           1HD      ARG  10  -1.775  -3.171   3.942
   64    HE   ARG  10           HE       ARG  10  -3.575  -0.930   4.128
   65   HH11  ARG  10          1HH2      ARG  10  -0.663  -2.292   5.390
   66   HH12  ARG  10          2HH2      ARG  10  -0.824  -1.530   6.936
   67   HH21  ARG  10          1HH1      ARG  10  -3.795   0.071   6.142
   68   HH22  ARG  10          2HH1      ARG  10  -2.592  -0.193   7.362
   69    H    ASP  11           H        ASP  11   1.118  -3.859   0.097
   70    HA   ASP  11           HA       ASP  11   3.895  -4.733   0.679
   71    HB2  ASP  11           2HB      ASP  11   1.522  -5.933  -0.776
   72    HB3  ASP  11           1HB      ASP  11   3.074  -6.754  -0.604
   73    H    HIS  12           H        HIS  12   2.821  -2.469  -1.308
   74    HA   HIS  12           HA       HIS  12   4.691  -3.266  -3.507
   75    HB2  HIS  12           2HB      HIS  12   1.799  -2.514  -3.568
   76    HB3  HIS  12           1HB      HIS  12   2.818  -1.938  -4.892
   77    HD1  HIS  12           1HD      HIS  12   3.205  -3.566  -6.742
   78    HD2  HIS  12           2HD      HIS  12   2.109  -5.491  -3.211
   79    HE1  HIS  12           1HE      HIS  12   2.998  -6.027  -7.301
   80    H    SER  13           H        SER  13   4.614  -1.301  -1.094
   81    HA   SER  13           HA       SER  13   5.853   0.945  -2.546
   82    HB2  SER  13           2HB      SER  13   3.255   1.098  -1.006
   83    HB3  SER  13           1HB      SER  13   4.250   2.524  -1.300
   84    HG   SER  13           HG       SER  13   2.964   0.823  -3.157
   85    H    ARG  14           H        ARG  14   6.117   2.760  -0.556
   86    HA   ARG  14           HA       ARG  14   7.104   1.266   1.844
   87    HB2  ARG  14           2HB      ARG  14   9.170   2.642   1.699
   88    HB3  ARG  14           1HB      ARG  14   8.952   1.630   0.271
   89    HG2  ARG  14           2HG      ARG  14   7.615   3.843  -0.530
   90    HG3  ARG  14           1HG      ARG  14   8.809   4.584   0.537
   91    HD2  ARG  14           2HD      ARG  14  10.199   4.470  -1.271
   92    HD3  ARG  14           1HD      ARG  14  10.322   2.743  -0.877
   93    HE   ARG  14           HE       ARG  14   7.944   3.391  -2.442
   94   HH11  ARG  14          1HH2      ARG  14  11.312   2.624  -2.482
   95   HH12  ARG  14          2HH2      ARG  14  11.275   1.969  -4.084
   96   HH21  ARG  14          1HH1      ARG  14   7.886   2.537  -4.533
   97   HH22  ARG  14          2HH1      ARG  14   9.340   1.920  -5.244
   98    H    CYS  15           H        CYS  15   5.112   3.649   0.725
   99    HA   CYS  15           HA       CYS  15   5.670   5.714   2.735
  100    HB2  CYS  15           2HB      CYS  15   3.801   6.819   1.637
  101    HB3  CYS  15           1HB      CYS  15   4.824   6.095   0.398
  102    H    CYS  16           H        CYS  16   3.540   2.932   2.384
  103    HA   CYS  16           HA       CYS  16   1.621   3.651   4.403
  104    HB2  CYS  16           2HB      CYS  16   2.586   1.012   3.256
  105    HB3  CYS  16           1HB      CYS  16   1.140   1.195   4.247
  106    HN1  NH2  17           1H       CYS  16   4.934   2.754   4.672
  107    HN2  NH2  17           2H       CYS  16   4.925   2.291   6.306
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   2.293   7.551  -5.426
    2    HA   CYS   1           HA       CYS   1   3.108   5.085  -4.128
    3    HB2  CYS   1           2HB      CYS   1   2.764   7.615  -2.608
    4    HB3  CYS   1           1HB      CYS   1   2.012   6.184  -1.898
    5    H    CYS   2           H        CYS   2   0.897   4.773  -2.409
    6    HA   CYS   2           HA       CYS   2  -1.509   5.409  -4.045
    7    HB2  CYS   2           2HB      CYS   2  -2.075   2.905  -3.834
    8    HB3  CYS   2           1HB      CYS   2  -0.800   3.334  -4.976
    9    H    ASN   3           H        ASN   3  -3.288   3.735  -2.670
   10    HA   ASN   3           HA       ASN   3  -3.367   5.079  -0.023
   11    HB2  ASN   3           2HB      ASN   3  -5.711   4.247  -0.075
   12    HB3  ASN   3           1HB      ASN   3  -5.306   5.153  -1.536
   13   HD21  ASN   3          1HD2      ASN   3  -7.141   2.649  -0.845
   14   HD22  ASN   3          2HD2      ASN   3  -6.789   1.587  -2.121
   15    H    CYS   4           H        CYS   4  -3.084   4.005   1.864
   16    HA   CYS   4           HA       CYS   4  -1.959   1.347   1.927
   17    HB2  CYS   4           2HB      CYS   4  -3.067   3.258   4.001
   18    HB3  CYS   4           1HB      CYS   4  -2.170   1.788   4.406
   19    H    SER   5           H        SER   5  -5.158   2.421   1.645
   20    HA   SER   5           HA       SER   5  -6.627   0.658   3.324
   21    HB2  SER   5           2HB      SER   5  -7.019   2.443   1.069
   22    HB3  SER   5           1HB      SER   5  -8.038   1.016   0.910
   23    HG   SER   5           HG       SER   5  -7.841   2.281   3.401
   24    H    SER   6           H        SER   6  -4.808   0.020   0.415
   25    HA   SER   6           HA       SER   6  -6.069  -2.695   0.215
   26    HB2  SER   6           2HB      SER   6  -5.383  -0.626  -1.655
   27    HB3  SER   6           1HB      SER   6  -4.434  -2.066  -2.031
   28    HG   SER   6           HG       SER   6  -7.198  -1.659  -2.056
   29    H    LYS   7           H        LYS   7  -4.814  -4.368   0.897
   30    HA   LYS   7           HA       LYS   7  -2.302  -4.301   2.057
   31    HB2  LYS   7           2HB      LYS   7  -3.630  -6.373   0.287
   32    HB3  LYS   7           1HB      LYS   7  -2.178  -6.712   1.230
   33    HG2  LYS   7           2HG      LYS   7  -3.377  -6.089   3.298
   34    HG3  LYS   7           1HG      LYS   7  -4.831  -5.762   2.355
   35    HD2  LYS   7           2HD      LYS   7  -5.322  -7.971   2.115
   36    HD3  LYS   7           1HD      LYS   7  -3.633  -8.417   1.869
   37    HE2  LYS   7           2HE      LYS   7  -3.826  -9.328   3.966
   38    HE3  LYS   7           1HE      LYS   7  -3.622  -7.652   4.515
   39    HZ1  LYS   7           3HZ      LYS   7  -6.278  -8.553   3.644
   40    HZ2  LYS   7           1HZ      LYS   7  -5.866  -7.356   4.772
   41    HZ3  LYS   7           2HZ      LYS   7  -5.739  -8.999   5.193
   42    H    TRP   8           H        TRP   8  -3.013  -4.680  -1.421
   43    HA   TRP   8           HA       TRP   8  -0.458  -5.107  -2.465
   44    HB2  TRP   8           2HB      TRP   8  -2.399  -5.108  -3.867
   45    HB3  TRP   8           1HB      TRP   8  -2.817  -3.455  -3.406
   46    HD1  TRP   8           HD       TRP   8  -0.471  -5.456  -5.635
   47    HE1  TRP   8           1HE      TRP   8   0.690  -3.853  -7.287
   48    HE3  TRP   8           3HE      TRP   8  -2.010  -0.969  -3.742
   49    HZ2  TRP   8           2HZ      TRP   8   0.932  -1.041  -7.746
   50    HZ3  TRP   8           3HZ      TRP   8  -1.302   1.152  -4.808
   51    HH2  TRP   8           HH       TRP   8   0.168   1.124  -6.805
   52    H    CYS   9           H        CYS   9  -1.981  -1.920  -1.837
   53    HA   CYS   9           HA       CYS   9   0.172  -0.244  -2.533
   54    HB2  CYS   9           2HB      CYS   9  -2.223   0.292  -1.808
   55    HB3  CYS   9           1HB      CYS   9  -1.662   0.114  -0.147
   56    H    ARG  10           H        ARG  10  -0.503  -1.814   0.608
   57    HA   ARG  10           HA       ARG  10   1.806  -0.759   1.964
   58    HB2  ARG  10           2HB      ARG  10  -0.065  -3.106   2.357
   59    HB3  ARG  10           1HB      ARG  10   1.181  -2.682   3.525
   60    HG2  ARG  10           2HG      ARG  10   0.218  -0.389   3.677
   61    HG3  ARG  10           1HG      ARG  10  -1.078  -0.894   2.593
   62    HD2  ARG  10           2HD      ARG  10  -0.729  -2.764   4.817
   63    HD3  ARG  10           1HD      ARG  10  -1.124  -1.124   5.364
   64    HE   ARG  10           HE       ARG  10  -2.823  -1.562   3.201
   65   HH11  ARG  10          1HH2      ARG  10  -2.103  -3.118   6.202
   66   HH12  ARG  10          2HH2      ARG  10  -3.706  -3.742   6.409
   67   HH21  ARG  10          1HH1      ARG  10  -4.914  -2.375   3.462
   68   HH22  ARG  10          2HH1      ARG  10  -5.294  -3.322   4.861
   69    H    ASP  11           H        ASP  11   1.311  -3.472  -0.202
   70    HA   ASP  11           HA       ASP  11   3.935  -4.661   0.552
   71    HB2  ASP  11           2HB      ASP  11   1.721  -5.538  -1.329
   72    HB3  ASP  11           1HB      ASP  11   3.126  -6.509  -0.886
   73    H    HIS  12           H        HIS  12   2.467  -2.690  -1.918
   74    HA   HIS  12           HA       HIS  12   4.766  -3.175  -3.765
   75    HB2  HIS  12           2HB      HIS  12   1.937  -2.228  -3.971
   76    HB3  HIS  12           1HB      HIS  12   3.091  -1.638  -5.173
   77    HD1  HIS  12           1HD      HIS  12   3.980  -3.307  -6.893
   78    HD2  HIS  12           2HD      HIS  12   1.550  -5.088  -4.012
   79    HE1  HIS  12           1HE      HIS  12   3.536  -5.669  -7.692
   80    H    SER  13           H        SER  13   3.850  -1.043  -1.331
   81    HA   SER  13           HA       SER  13   5.762   1.007  -2.334
   82    HB2  SER  13           2HB      SER  13   3.354   2.119  -1.074
   83    HB3  SER  13           1HB      SER  13   4.153   2.590  -2.573
   84    HG   SER  13           HG       SER  13   2.784   1.406  -3.639
   85    H    ARG  14           H        ARG  14   6.612   2.336  -0.576
   86    HA   ARG  14           HA       ARG  14   6.395   0.983   2.075
   87    HB2  ARG  14           2HB      ARG  14   8.534   2.214   2.494
   88    HB3  ARG  14           1HB      ARG  14   8.617   1.166   1.079
   89    HG2  ARG  14           2HG      ARG  14   7.637   3.672   0.176
   90    HG3  ARG  14           1HG      ARG  14   9.009   4.013   1.229
   91    HD2  ARG  14           2HD      ARG  14  10.036   1.930  -0.170
   92    HD3  ARG  14           1HD      ARG  14   8.958   2.624  -1.398
   93    HE   ARG  14           HE       ARG  14  10.164   4.855  -0.360
   94   HH11  ARG  14          1HH2      ARG  14  11.339   1.812  -1.503
   95   HH12  ARG  14          2HH2      ARG  14  12.842   2.460  -2.068
   96   HH21  ARG  14          1HH1      ARG  14  12.118   5.707  -1.093
   97   HH22  ARG  14          2HH1      ARG  14  13.283   4.662  -1.837
   98    H    CYS  15           H        CYS  15   5.084   3.615   0.485
   99    HA   CYS  15           HA       CYS  15   5.255   5.782   2.289
  100    HB2  CYS  15           2HB      CYS  15   3.284   4.734   0.296
  101    HB3  CYS  15           1HB      CYS  15   2.772   6.059   1.343
  102    H    CYS  16           H        CYS  16   3.246   2.864   2.406
  103    HA   CYS  16           HA       CYS  16   1.574   3.685   4.606
  104    HB2  CYS  16           2HB      CYS  16   2.410   1.020   3.422
  105    HB3  CYS  16           1HB      CYS  16   1.152   1.191   4.645
  106    HN1  NH2  17           1H       CYS  16   4.095   4.435   5.525
  107    HN2  NH2  17           2H       CYS  16   4.644   3.371   6.727
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   1.888   9.058  -2.423
    2    HA   CYS   1           HA       CYS   1   2.147   6.935  -4.288
    3    HB2  CYS   1           2HB      CYS   1   2.541   7.463  -1.422
    4    HB3  CYS   1           1HB      CYS   1   2.217   5.764  -1.784
    5    H    CYS   2           H        CYS   2   1.180   4.642  -3.693
    6    HA   CYS   2           HA       CYS   2  -1.577   4.597  -4.271
    7    HB2  CYS   2           2HB      CYS   2  -1.344   2.208  -3.403
    8    HB3  CYS   2           1HB      CYS   2  -0.160   2.689  -4.622
    9    H    ASN   3           H        ASN   3  -3.119   3.311  -2.628
   10    HA   ASN   3           HA       ASN   3  -3.224   4.973  -0.150
   11    HB2  ASN   3           2HB      ASN   3  -5.064   4.325  -2.101
   12    HB3  ASN   3           1HB      ASN   3  -5.457   3.171  -0.821
   13   HD21  ASN   3          1HD2      ASN   3  -4.831   4.722   1.471
   14   HD22  ASN   3          2HD2      ASN   3  -5.888   6.048   1.546
   15    H    CYS   4           H        CYS   4  -2.989   4.056   1.834
   16    HA   CYS   4           HA       CYS   4  -1.913   1.424   2.164
   17    HB2  CYS   4           2HB      CYS   4  -3.213   3.440   4.014
   18    HB3  CYS   4           1HB      CYS   4  -2.375   1.997   4.596
   19    H    SER   5           H        SER   5  -5.146   2.511   1.743
   20    HA   SER   5           HA       SER   5  -6.562   0.547   3.296
   21    HB2  SER   5           2HB      SER   5  -7.583   2.585   2.417
   22    HB3  SER   5           1HB      SER   5  -7.233   2.084   0.765
   23    HG   SER   5           HG       SER   5  -9.427   1.659   1.730
   24    H    SER   6           H        SER   6  -4.625   0.251   0.504
   25    HA   SER   6           HA       SER   6  -5.991  -2.286  -0.316
   26    HB2  SER   6           2HB      SER   6  -4.798  -0.034  -1.669
   27    HB3  SER   6           1HB      SER   6  -3.972  -1.517  -2.147
   28    HG   SER   6           HG       SER   6  -5.802  -1.139  -3.443
   29    H    LYS   7           H        LYS   7  -5.009  -4.090   0.485
   30    HA   LYS   7           HA       LYS   7  -2.596  -4.275   1.888
   31    HB2  LYS   7           2HB      LYS   7  -4.488  -6.027   0.504
   32    HB3  LYS   7           1HB      LYS   7  -2.851  -6.685   0.500
   33    HG2  LYS   7           2HG      LYS   7  -3.172  -7.347   2.626
   34    HG3  LYS   7           1HG      LYS   7  -3.258  -5.649   3.093
   35    HD2  LYS   7           2HD      LYS   7  -5.760  -6.227   1.950
   36    HD3  LYS   7           1HD      LYS   7  -5.385  -7.613   2.974
   37    HE2  LYS   7           2HE      LYS   7  -5.111  -4.749   3.938
   38    HE3  LYS   7           1HE      LYS   7  -6.578  -5.718   4.178
   39    HZ1  LYS   7           3HZ      LYS   7  -4.854  -5.862   6.002
   40    HZ2  LYS   7           1HZ      LYS   7  -3.881  -6.709   4.900
   41    HZ3  LYS   7           2HZ      LYS   7  -5.388  -7.343   5.362
   42    H    TRP   8           H        TRP   8  -3.126  -4.433  -1.622
   43    HA   TRP   8           HA       TRP   8  -0.550  -5.270  -2.452
   44    HB2  TRP   8           2HB      TRP   8  -2.344  -5.120  -4.023
   45    HB3  TRP   8           1HB      TRP   8  -2.659  -3.432  -3.610
   46    HD1  TRP   8           HD       TRP   8  -0.227  -5.651  -5.544
   47    HE1  TRP   8           1HE      TRP   8   1.167  -4.171  -7.130
   48    HE3  TRP   8           3HE      TRP   8  -1.743  -1.032  -3.990
   49    HZ2  TRP   8           2HZ      TRP   8   1.584  -1.390  -7.665
   50    HZ3  TRP   8           3HZ      TRP   8  -0.833   1.013  -5.052
   51    HH2  TRP   8           HH       TRP   8   0.827   0.841  -6.885
   52    H    CYS   9           H        CYS   9  -1.766  -1.900  -2.201
   53    HA   CYS   9           HA       CYS   9   0.576  -0.475  -2.681
   54    HB2  CYS   9           2HB      CYS   9  -1.576   0.565  -2.261
   55    HB3  CYS   9           1HB      CYS   9  -1.616  -0.073  -0.621
   56    H    ARG  10           H        ARG  10  -0.526  -1.611   0.526
   57    HA   ARG  10           HA       ARG  10   1.808  -0.912   1.985
   58    HB2  ARG  10           2HB      ARG  10  -0.353  -3.009   2.269
   59    HB3  ARG  10           1HB      ARG  10   0.866  -2.746   3.511
   60    HG2  ARG  10           2HG      ARG  10   0.044  -0.669   4.085
   61    HG3  ARG  10           1HG      ARG  10  -0.577  -0.353   2.466
   62    HD2  ARG  10           2HD      ARG  10  -2.366  -0.778   4.232
   63    HD3  ARG  10           1HD      ARG  10  -2.453  -1.859   2.827
   64    HE   ARG  10           HE       ARG  10  -0.703  -3.032   4.744
   65   HH11  ARG  10          1HH2      ARG  10  -4.022  -2.205   4.265
   66   HH12  ARG  10          2HH2      ARG  10  -4.620  -3.482   5.269
   67   HH21  ARG  10          1HH1      ARG  10  -1.472  -4.701   6.057
   68   HH22  ARG  10          2HH1      ARG  10  -3.179  -4.896   6.281
   69    H    ASP  11           H        ASP  11   1.073  -3.715  -0.028
   70    HA   ASP  11           HA       ASP  11   3.607  -5.037   0.807
   71    HB2  ASP  11           2HB      ASP  11   0.970  -5.821  -0.046
   72    HB3  ASP  11           1HB      ASP  11   2.166  -6.528  -1.134
   73    H    HIS  12           H        HIS  12   2.837  -2.702  -1.344
   74    HA   HIS  12           HA       HIS  12   4.825  -3.707  -3.352
   75    HB2  HIS  12           2HB      HIS  12   2.053  -2.611  -3.655
   76    HB3  HIS  12           1HB      HIS  12   3.237  -2.247  -4.914
   77    HD1  HIS  12           1HD      HIS  12   3.578  -4.020  -6.641
   78    HD2  HIS  12           2HD      HIS  12   1.861  -5.565  -3.170
   79    HE1  HIS  12           1HE      HIS  12   3.053  -6.449  -7.122
   80    H    SER  13           H        SER  13   4.538  -1.573  -0.981
   81    HA   SER  13           HA       SER  13   6.436   0.306  -2.104
   82    HB2  SER  13           2HB      SER  13   4.759   2.255  -1.915
   83    HB3  SER  13           1HB      SER  13   4.566   1.176  -3.297
   84    HG   SER  13           HG       SER  13   3.236   0.695  -0.854
   85    H    ARG  14           H        ARG  14   7.081   1.923  -0.488
   86    HA   ARG  14           HA       ARG  14   6.443   1.041   2.292
   87    HB2  ARG  14           2HB      ARG  14   8.555   2.328   2.770
   88    HB3  ARG  14           1HB      ARG  14   8.782   1.015   1.614
   89    HG2  ARG  14           2HG      ARG  14   9.380   2.447  -0.024
   90    HG3  ARG  14           1HG      ARG  14   7.984   3.480   0.284
   91    HD2  ARG  14           2HD      ARG  14   9.290   4.987   1.354
   92    HD3  ARG  14           1HD      ARG  14   9.899   3.730   2.448
   93    HE   ARG  14           HE       ARG  14  11.251   4.682   0.056
   94   HH11  ARG  14          1HH2      ARG  14  10.633   1.970   2.102
   95   HH12  ARG  14          2HH2      ARG  14  12.111   1.165   1.698
   96   HH21  ARG  14          1HH1      ARG  14  13.184   3.641  -0.476
   97   HH22  ARG  14          2HH1      ARG  14  13.554   2.109   0.242
   98    H    CYS  15           H        CYS  15   5.393   3.331   0.130
   99    HA   CYS  15           HA       CYS  15   5.446   5.809   1.494
  100    HB2  CYS  15           2HB      CYS  15   3.239   4.587  -0.195
  101    HB3  CYS  15           1HB      CYS  15   3.511   6.310   0.066
  102    H    CYS  16           H        CYS  16   3.777   2.895   2.306
  103    HA   CYS  16           HA       CYS  16   1.708   4.232   3.926
  104    HB2  CYS  16           2HB      CYS  16   2.486   1.472   3.078
  105    HB3  CYS  16           1HB      CYS  16   1.487   1.636   4.524
  106    HN1  NH2  17           1H       CYS  16   4.979   3.679   4.403
  107    HN2  NH2  17           2H       CYS  16   4.992   3.497   6.091
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   2.618   6.866  -5.816
    2    HA   CYS   1           HA       CYS   1   3.026   5.714  -3.378
    3    HB2  CYS   1           2HB      CYS   1   3.288   8.027  -2.513
    4    HB3  CYS   1           1HB      CYS   1   1.622   8.380  -2.984
    5    H    CYS   2           H        CYS   2   1.028   4.774  -2.384
    6    HA   CYS   2           HA       CYS   2  -1.381   5.021  -4.151
    7    HB2  CYS   2           2HB      CYS   2  -1.561   2.497  -3.796
    8    HB3  CYS   2           1HB      CYS   2  -0.208   3.024  -4.801
    9    H    ASN   3           H        ASN   3  -3.250   3.681  -2.921
   10    HA   ASN   3           HA       ASN   3  -3.526   4.969  -0.287
   11    HB2  ASN   3           2HB      ASN   3  -5.832   4.110  -0.497
   12    HB3  ASN   3           1HB      ASN   3  -5.331   4.908  -1.992
   13   HD21  ASN   3          1HD2      ASN   3  -7.127   2.378  -1.180
   14   HD22  ASN   3          2HD2      ASN   3  -6.676   1.245  -2.362
   15    H    CYS   4           H        CYS   4  -2.730   3.933   1.495
   16    HA   CYS   4           HA       CYS   4  -1.790   1.281   1.655
   17    HB2  CYS   4           2HB      CYS   4  -2.720   3.405   3.545
   18    HB3  CYS   4           1HB      CYS   4  -2.436   1.789   4.200
   19    H    SER   5           H        SER   5  -5.068   2.521   1.932
   20    HA   SER   5           HA       SER   5  -6.477   0.606   3.328
   21    HB2  SER   5           2HB      SER   5  -7.119   1.798   0.612
   22    HB3  SER   5           1HB      SER   5  -8.302   1.081   1.703
   23    HG   SER   5           HG       SER   5  -7.840   2.679   3.199
   24    H    SER   6           H        SER   6  -5.046   0.218   0.103
   25    HA   SER   6           HA       SER   6  -6.165  -2.506  -0.176
   26    HB2  SER   6           2HB      SER   6  -5.085  -0.393  -1.835
   27    HB3  SER   6           1HB      SER   6  -4.294  -1.925  -2.203
   28    HG   SER   6           HG       SER   6  -6.640  -1.143  -3.010
   29    H    LYS   7           H        LYS   7  -5.085  -4.196   0.735
   30    HA   LYS   7           HA       LYS   7  -2.684  -4.250   2.093
   31    HB2  LYS   7           2HB      LYS   7  -4.092  -6.255   0.327
   32    HB3  LYS   7           1HB      LYS   7  -2.617  -6.695   1.186
   33    HG2  LYS   7           2HG      LYS   7  -4.124  -5.421   3.135
   34    HG3  LYS   7           1HG      LYS   7  -5.329  -6.328   2.222
   35    HD2  LYS   7           2HD      LYS   7  -2.922  -7.903   2.671
   36    HD3  LYS   7           1HD      LYS   7  -3.634  -7.358   4.190
   37    HE2  LYS   7           2HE      LYS   7  -5.228  -8.704   1.980
   38    HE3  LYS   7           1HE      LYS   7  -4.578  -9.555   3.395
   39    HZ1  LYS   7           3HZ      LYS   7  -6.617  -8.902   4.183
   40    HZ2  LYS   7           1HZ      LYS   7  -6.645  -7.470   3.274
   41    HZ3  LYS   7           2HZ      LYS   7  -5.668  -7.576   4.660
   42    H    TRP   8           H        TRP   8  -3.113  -4.587  -1.432
   43    HA   TRP   8           HA       TRP   8  -0.479  -5.188  -2.214
   44    HB2  TRP   8           2HB      TRP   8  -2.244  -5.158  -3.821
   45    HB3  TRP   8           1HB      TRP   8  -2.691  -3.500  -3.406
   46    HD1  TRP   8           HD       TRP   8   0.022  -5.510  -5.222
   47    HE1  TRP   8           1HE      TRP   8   1.288  -3.926  -6.815
   48    HE3  TRP   8           3HE      TRP   8  -2.076  -1.051  -3.881
   49    HZ2  TRP   8           2HZ      TRP   8   1.394  -1.134  -7.439
   50    HZ3  TRP   8           3HZ      TRP   8  -1.375   1.051  -4.989
   51    HH2  TRP   8           HH       TRP   8   0.356   1.016  -6.763
   52    H    CYS   9           H        CYS   9  -1.922  -1.901  -1.989
   53    HA   CYS   9           HA       CYS   9   0.312  -0.315  -2.445
   54    HB2  CYS   9           2HB      CYS   9  -2.050   0.377  -1.901
   55    HB3  CYS   9           1HB      CYS   9  -1.710   0.036  -0.206
   56    H    ARG  10           H        ARG  10  -0.622  -1.833   0.643
   57    HA   ARG  10           HA       ARG  10   1.580  -0.913   2.204
   58    HB2  ARG  10           2HB      ARG  10  -0.158  -3.397   2.325
   59    HB3  ARG  10           1HB      ARG  10   0.868  -2.839   3.639
   60    HG2  ARG  10           2HG      ARG  10  -0.571  -1.188   4.227
   61    HG3  ARG  10           1HG      ARG  10  -0.890  -0.752   2.547
   62    HD2  ARG  10           2HD      ARG  10  -2.627  -2.302   2.333
   63    HD3  ARG  10           1HD      ARG  10  -1.995  -3.335   3.631
   64    HE   ARG  10           HE       ARG  10  -3.764  -1.092   4.015
   65   HH11  ARG  10          1HH2      ARG  10  -0.991  -2.712   5.285
   66   HH12  ARG  10          2HH2      ARG  10  -1.279  -2.201   6.913
   67   HH21  ARG  10          1HH1      ARG  10  -4.150  -0.423   6.135
   68   HH22  ARG  10          2HH1      ARG  10  -3.068  -0.912   7.396
   69    H    ASP  11           H        ASP  11   1.192  -3.739   0.076
   70    HA   ASP  11           HA       ASP  11   3.946  -4.656   0.763
   71    HB2  ASP  11           2HB      ASP  11   1.685  -6.032   0.577
   72    HB3  ASP  11           1HB      ASP  11   2.087  -6.038  -1.142
   73    H    HIS  12           H        HIS  12   2.610  -2.523  -1.388
   74    HA   HIS  12           HA       HIS  12   4.742  -3.096  -3.415
   75    HB2  HIS  12           2HB      HIS  12   1.785  -2.756  -3.687
   76    HB3  HIS  12           1HB      HIS  12   2.802  -2.073  -4.961
   77    HD1  HIS  12           1HD      HIS  12   3.754  -3.681  -6.653
   78    HD2  HIS  12           2HD      HIS  12   2.242  -5.647  -3.301
   79    HE1  HIS  12           1HE      HIS  12   3.848  -6.158  -7.172
   80    H    SER  13           H        SER  13   4.838  -1.206  -1.213
   81    HA   SER  13           HA       SER  13   5.543   1.201  -2.677
   82    HB2  SER  13           2HB      SER  13   3.670   2.475  -2.329
   83    HB3  SER  13           1HB      SER  13   2.871   0.909  -2.192
   84    HG   SER  13           HG       SER  13   2.998   2.759  -0.373
   85    H    ARG  14           H        ARG  14   5.829   3.057  -0.875
   86    HA   ARG  14           HA       ARG  14   6.968   1.766   1.582
   87    HB2  ARG  14           2HB      ARG  14   8.751   3.529   1.393
   88    HB3  ARG  14           1HB      ARG  14   8.737   2.409   0.032
   89    HG2  ARG  14           2HG      ARG  14   6.937   4.514  -0.608
   90    HG3  ARG  14           1HG      ARG  14   8.417   5.261  -0.004
   91    HD2  ARG  14           2HD      ARG  14   8.302   3.142  -2.183
   92    HD3  ARG  14           1HD      ARG  14   8.583   4.874  -2.445
   93    HE   ARG  14           HE       ARG  14  10.516   2.986  -1.332
   94   HH11  ARG  14          1HH2      ARG  14   9.406   6.252  -1.487
   95   HH12  ARG  14          2HH2      ARG  14  10.935   6.929  -1.040
   96   HH21  ARG  14          1HH1      ARG  14  12.516   3.859  -0.742
   97   HH22  ARG  14          2HH1      ARG  14  12.692   5.578  -0.616
   98    H    CYS  15           H        CYS  15   4.466   3.525   0.626
   99    HA   CYS  15           HA       CYS  15   4.633   5.896   2.315
  100    HB2  CYS  15           2HB      CYS  15   2.542   4.426   0.721
  101    HB3  CYS  15           1HB      CYS  15   2.067   5.750   1.783
  102    H    CYS  16           H        CYS  16   3.547   2.576   2.703
  103    HA   CYS  16           HA       CYS  16   2.219   3.163   5.285
  104    HB2  CYS  16           2HB      CYS  16   2.122   1.186   3.198
  105    HB3  CYS  16           1HB      CYS  16   2.449   0.376   4.735
  106    HN1  NH2  17           1H       CYS  16   4.819   3.862   5.716
  107    HN2  NH2  17           2H       CYS  16   5.671   2.657   6.554
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   1.417   9.017  -2.807
    2    HA   CYS   1           HA       CYS   1   2.741   6.337  -3.042
    3    HB2  CYS   1           2HB      CYS   1   3.241   7.328  -0.947
    4    HB3  CYS   1           1HB      CYS   1   1.603   7.961  -0.760
    5    H    CYS   2           H        CYS   2   1.402   4.496  -3.075
    6    HA   CYS   2           HA       CYS   2  -1.219   4.757  -4.205
    7    HB2  CYS   2           2HB      CYS   2  -1.245   2.264  -3.747
    8    HB3  CYS   2           1HB      CYS   2   0.177   2.831  -4.628
    9    H    ASN   3           H        ASN   3  -3.167   3.667  -3.157
   10    HA   ASN   3           HA       ASN   3  -3.781   4.960  -0.638
   11    HB2  ASN   3           2HB      ASN   3  -5.930   3.737  -0.954
   12    HB3  ASN   3           1HB      ASN   3  -5.416   4.561  -2.430
   13   HD21  ASN   3          1HD2      ASN   3  -6.860   1.785  -1.627
   14   HD22  ASN   3          2HD2      ASN   3  -6.161   0.714  -2.743
   15    H    CYS   4           H        CYS   4  -3.555   4.127   1.412
   16    HA   CYS   4           HA       CYS   4  -2.242   1.546   1.796
   17    HB2  CYS   4           2HB      CYS   4  -3.236   3.828   3.485
   18    HB3  CYS   4           1HB      CYS   4  -2.744   2.319   4.261
   19    H    SER   5           H        SER   5  -5.354   2.161   1.015
   20    HA   SER   5           HA       SER   5  -6.765   0.592   3.039
   21    HB2  SER   5           2HB      SER   5  -7.367   1.863   0.378
   22    HB3  SER   5           1HB      SER   5  -8.538   0.770   1.110
   23    HG   SER   5           HG       SER   5  -9.100   2.548   2.113
   24    H    SER   6           H        SER   6  -4.969  -0.109   0.158
   25    HA   SER   6           HA       SER   6  -6.186  -2.834  -0.026
   26    HB2  SER   6           2HB      SER   6  -5.591  -0.887  -1.905
   27    HB3  SER   6           1HB      SER   6  -4.231  -2.003  -2.048
   28    HG   SER   6           HG       SER   6  -5.539  -3.504  -2.778
   29    H    LYS   7           H        LYS   7  -5.006  -4.506   0.811
   30    HA   LYS   7           HA       LYS   7  -2.543  -4.295   2.139
   31    HB2  LYS   7           2HB      LYS   7  -3.855  -6.242   2.450
   32    HB3  LYS   7           1HB      LYS   7  -4.004  -6.523   0.716
   33    HG2  LYS   7           2HG      LYS   7  -1.239  -6.517   1.802
   34    HG3  LYS   7           1HG      LYS   7  -2.258  -7.878   2.277
   35    HD2  LYS   7           2HD      LYS   7  -2.562  -8.592   0.061
   36    HD3  LYS   7           1HD      LYS   7  -2.123  -7.018  -0.605
   37    HE2  LYS   7           2HE      LYS   7   0.197  -7.352  -0.148
   38    HE3  LYS   7           1HE      LYS   7  -0.139  -8.735   0.913
   39    HZ1  LYS   7           3HZ      LYS   7  -1.058  -9.931  -0.955
   40    HZ2  LYS   7           1HZ      LYS   7   0.525  -9.448  -1.324
   41    HZ3  LYS   7           2HZ      LYS   7  -0.794  -8.605  -1.984
   42    H    TRP   8           H        TRP   8  -3.209  -4.572  -1.291
   43    HA   TRP   8           HA       TRP   8  -0.637  -5.411  -2.215
   44    HB2  TRP   8           2HB      TRP   8  -2.496  -5.434  -3.711
   45    HB3  TRP   8           1HB      TRP   8  -2.908  -3.755  -3.346
   46    HD1  TRP   8           HD       TRP   8  -0.324  -5.868  -5.231
   47    HE1  TRP   8           1HE      TRP   8   0.840  -4.380  -6.984
   48    HE3  TRP   8           3HE      TRP   8  -2.318  -1.328  -4.003
   49    HZ2  TRP   8           2HZ      TRP   8   0.919  -1.631  -7.763
   50    HZ3  TRP   8           3HZ      TRP   8  -1.678   0.707  -5.265
   51    HH2  TRP   8           HH       TRP   8  -0.064   0.560  -7.143
   52    H    CYS   9           H        CYS   9  -2.031  -2.112  -2.013
   53    HA   CYS   9           HA       CYS   9   0.247  -0.605  -2.670
   54    HB2  CYS   9           2HB      CYS   9  -1.920   0.395  -2.353
   55    HB3  CYS   9           1HB      CYS   9  -2.010  -0.183  -0.693
   56    H    ARG  10           H        ARG  10  -0.823  -1.450   0.641
   57    HA   ARG  10           HA       ARG  10   1.378  -0.522   2.093
   58    HB2  ARG  10           2HB      ARG  10  -0.426  -2.935   2.396
   59    HB3  ARG  10           1HB      ARG  10   0.680  -2.406   3.659
   60    HG2  ARG  10           2HG      ARG  10  -0.585  -0.586   4.194
   61    HG3  ARG  10           1HG      ARG  10  -1.029  -0.281   2.514
   62    HD2  ARG  10           2HD      ARG  10  -2.934  -1.060   4.067
   63    HD3  ARG  10           1HD      ARG  10  -2.731  -1.984   2.565
   64    HE   ARG  10           HE       ARG  10  -1.935  -3.814   3.846
   65   HH11  ARG  10          1HH2      ARG  10  -1.983  -0.871   5.656
   66   HH12  ARG  10          2HH2      ARG  10  -1.600  -1.640   7.158
   67   HH21  ARG  10          1HH1      ARG  10  -1.438  -4.825   5.803
   68   HH22  ARG  10          2HH1      ARG  10  -1.295  -3.873   7.244
   69    H    ASP  11           H        ASP  11   1.070  -3.503   0.194
   70    HA   ASP  11           HA       ASP  11   3.799  -4.352   1.047
   71    HB2  ASP  11           2HB      ASP  11   1.450  -5.694   0.746
   72    HB3  ASP  11           1HB      ASP  11   2.178  -5.966  -0.839
   73    H    HIS  12           H        HIS  12   2.414  -2.500  -1.391
   74    HA   HIS  12           HA       HIS  12   4.530  -3.313  -3.361
   75    HB2  HIS  12           2HB      HIS  12   1.689  -2.380  -3.556
   76    HB3  HIS  12           1HB      HIS  12   2.792  -1.979  -4.873
   77    HD1  HIS  12           1HD      HIS  12   3.099  -3.750  -6.596
   78    HD2  HIS  12           2HD      HIS  12   1.744  -5.345  -2.991
   79    HE1  HIS  12           1HE      HIS  12   2.711  -6.219  -7.006
   80    H    SER  13           H        SER  13   4.717  -1.337  -1.062
   81    HA   SER  13           HA       SER  13   6.029   0.801  -2.551
   82    HB2  SER  13           2HB      SER  13   4.462   2.567  -1.668
   83    HB3  SER  13           1HB      SER  13   3.716   1.479  -2.839
   84    HG   SER  13           HG       SER  13   3.495   1.477  -0.012
   85    H    ARG  14           H        ARG  14   7.082   2.341  -1.064
   86    HA   ARG  14           HA       ARG  14   7.487   1.160   1.658
   87    HB2  ARG  14           2HB      ARG  14   9.671   2.264   1.530
   88    HB3  ARG  14           1HB      ARG  14   9.415   1.317   0.065
   89    HG2  ARG  14           2HG      ARG  14   9.458   3.156  -1.244
   90    HG3  ARG  14           1HG      ARG  14   8.358   4.030  -0.177
   91    HD2  ARG  14           2HD      ARG  14  10.776   3.842   1.262
   92    HD3  ARG  14           1HD      ARG  14  11.239   4.279  -0.394
   93    HE   ARG  14           HE       ARG  14   8.929   5.792   0.431
   94   HH11  ARG  14          1HH2      ARG  14  12.350   5.482   0.817
   95   HH12  ARG  14          2HH2      ARG  14  12.587   7.155   1.197
   96   HH21  ARG  14          1HH1      ARG  14   9.232   7.974   0.926
   97   HH22  ARG  14          2HH1      ARG  14  10.828   8.562   1.258
   98    H    CYS  15           H        CYS  15   5.442   3.233   0.499
   99    HA   CYS  15           HA       CYS  15   6.080   5.584   2.198
  100    HB2  CYS  15           2HB      CYS  15   4.143   6.537   0.950
  101    HB3  CYS  15           1HB      CYS  15   5.384   5.909  -0.131
  102    H    CYS  16           H        CYS  16   3.641   3.010   1.842
  103    HA   CYS  16           HA       CYS  16   1.817   3.970   3.838
  104    HB2  CYS  16           2HB      CYS  16   1.633   2.128   1.998
  105    HB3  CYS  16           1HB      CYS  16   2.335   1.062   3.220
  106    HN1  NH2  17           1H       CYS  16   3.416   4.623   5.595
  107    HN2  NH2  17           2H       CYS  16   3.998   3.433   6.657
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   2.338   8.914  -2.199
    2    HA   CYS   1           HA       CYS   1   2.237   6.906  -3.843
    3    HB2  CYS   1           2HB      CYS   1   2.311   6.763  -0.840
    4    HB3  CYS   1           1HB      CYS   1   2.414   5.269  -1.778
    5    H    CYS   2           H        CYS   2   1.131   4.652  -3.811
    6    HA   CYS   2           HA       CYS   2  -1.572   4.774  -4.421
    7    HB2  CYS   2           2HB      CYS   2  -1.498   2.290  -3.805
    8    HB3  CYS   2           1HB      CYS   2  -0.248   2.838  -4.927
    9    H    ASN   3           H        ASN   3  -3.400   3.746  -3.147
   10    HA   ASN   3           HA       ASN   3  -3.635   5.058  -0.539
   11    HB2  ASN   3           2HB      ASN   3  -5.300   4.047  -2.629
   12    HB3  ASN   3           1HB      ASN   3  -5.778   3.248  -1.129
   13   HD21  ASN   3          1HD2      ASN   3  -6.977   4.476   0.373
   14   HD22  ASN   3          2HD2      ASN   3  -7.280   6.139   0.212
   15    H    CYS   4           H        CYS   4  -3.139   4.093   1.386
   16    HA   CYS   4           HA       CYS   4  -2.068   1.449   1.604
   17    HB2  CYS   4           2HB      CYS   4  -3.147   3.541   3.492
   18    HB3  CYS   4           1HB      CYS   4  -2.588   1.981   4.107
   19    H    SER   5           H        SER   5  -5.309   2.548   1.368
   20    HA   SER   5           HA       SER   5  -6.828   0.837   2.963
   21    HB2  SER   5           2HB      SER   5  -8.499   1.050   1.107
   22    HB3  SER   5           1HB      SER   5  -7.737   2.583   1.521
   23    HG   SER   5           HG       SER   5  -7.066   0.838  -0.618
   24    H    SER   6           H        SER   6  -4.979   0.037   0.065
   25    HA   SER   6           HA       SER   6  -6.033  -2.758   0.160
   26    HB2  SER   6           2HB      SER   6  -5.746  -0.991  -1.899
   27    HB3  SER   6           1HB      SER   6  -4.218  -1.868  -2.001
   28    HG   SER   6           HG       SER   6  -5.343  -3.768  -2.211
   29    H    LYS   7           H        LYS   7  -4.717  -4.328   0.974
   30    HA   LYS   7           HA       LYS   7  -2.212  -3.885   2.194
   31    HB2  LYS   7           2HB      LYS   7  -3.597  -6.291   0.996
   32    HB3  LYS   7           1HB      LYS   7  -2.039  -6.443   1.809
   33    HG2  LYS   7           2HG      LYS   7  -2.956  -6.167   3.864
   34    HG3  LYS   7           1HG      LYS   7  -3.997  -4.853   3.316
   35    HD2  LYS   7           2HD      LYS   7  -5.613  -6.394   2.426
   36    HD3  LYS   7           1HD      LYS   7  -4.526  -7.762   2.668
   37    HE2  LYS   7           2HE      LYS   7  -5.486  -6.039   4.971
   38    HE3  LYS   7           1HE      LYS   7  -6.340  -7.505   4.448
   39    HZ1  LYS   7           3HZ      LYS   7  -4.848  -8.421   5.893
   40    HZ2  LYS   7           1HZ      LYS   7  -3.668  -7.234   5.623
   41    HZ3  LYS   7           2HZ      LYS   7  -3.913  -8.464   4.475
   42    H    TRP   8           H        TRP   8  -3.034  -4.402  -1.163
   43    HA   TRP   8           HA       TRP   8  -0.518  -5.243  -2.205
   44    HB2  TRP   8           2HB      TRP   8  -2.480  -5.307  -3.567
   45    HB3  TRP   8           1HB      TRP   8  -2.848  -3.610  -3.246
   46    HD1  TRP   8           HD       TRP   8  -0.741  -5.865  -5.432
   47    HE1  TRP   8           1HE      TRP   8   0.440  -4.447  -7.233
   48    HE3  TRP   8           3HE      TRP   8  -1.838  -1.174  -3.727
   49    HZ2  TRP   8           2HZ      TRP   8   0.864  -1.690  -7.864
   50    HZ3  TRP   8           3HZ      TRP   8  -1.031   0.825  -4.946
   51    HH2  TRP   8           HH       TRP   8   0.317   0.574  -7.012
   52    H    CYS   9           H        CYS   9  -1.893  -1.967  -1.821
   53    HA   CYS   9           HA       CYS   9   0.307  -0.455  -2.766
   54    HB2  CYS   9           2HB      CYS   9  -1.868   0.500  -2.271
   55    HB3  CYS   9           1HB      CYS   9  -1.741   0.027  -0.580
   56    H    ARG  10           H        ARG  10  -0.471  -1.336   0.605
   57    HA   ARG  10           HA       ARG  10   1.874  -0.338   1.832
   58    HB2  ARG  10           2HB      ARG  10  -0.003  -2.635   2.447
   59    HB3  ARG  10           1HB      ARG  10   1.201  -2.042   3.586
   60    HG2  ARG  10           2HG      ARG  10   0.063  -0.098   3.999
   61    HG3  ARG  10           1HG      ARG  10  -0.547   0.014   2.348
   62    HD2  ARG  10           2HD      ARG  10  -2.386  -0.465   3.947
   63    HD3  ARG  10           1HD      ARG  10  -2.152  -1.829   2.835
   64    HE   ARG  10           HE       ARG  10  -0.452  -2.140   5.132
   65   HH11  ARG  10          1HH2      ARG  10  -3.733  -2.314   4.072
   66   HH12  ARG  10          2HH2      ARG  10  -4.189  -3.486   5.260
   67   HH21  ARG  10          1HH1      ARG  10  -1.037  -3.669   6.685
   68   HH22  ARG  10          2HH1      ARG  10  -2.666  -4.253   6.736
   69    H    ASP  11           H        ASP  11   1.302  -3.388   0.122
   70    HA   ASP  11           HA       ASP  11   3.919  -4.486   0.958
   71    HB2  ASP  11           2HB      ASP  11   1.475  -5.374  -0.518
   72    HB3  ASP  11           1HB      ASP  11   2.982  -6.233  -0.840
   73    H    HIS  12           H        HIS  12   2.325  -3.640  -2.143
   74    HA   HIS  12           HA       HIS  12   4.699  -3.945  -3.742
   75    HB2  HIS  12           2HB      HIS  12   1.959  -2.772  -3.987
   76    HB3  HIS  12           1HB      HIS  12   3.149  -2.326  -5.211
   77    HD1  HIS  12           1HD      HIS  12   2.859  -3.811  -7.183
   78    HD2  HIS  12           2HD      HIS  12   2.346  -5.905  -3.616
   79    HE1  HIS  12           1HE      HIS  12   2.459  -6.229  -7.824
   80    H    SER  13           H        SER  13   3.893  -1.603  -1.438
   81    HA   SER  13           HA       SER  13   5.965   0.244  -2.544
   82    HB2  SER  13           2HB      SER  13   3.627   1.492  -1.233
   83    HB3  SER  13           1HB      SER  13   4.481   1.972  -2.700
   84    HG   SER  13           HG       SER  13   2.940   1.035  -3.759
   85    H    ARG  14           H        ARG  14   6.500   1.939  -0.744
   86    HA   ARG  14           HA       ARG  14   6.310   0.674   1.964
   87    HB2  ARG  14           2HB      ARG  14   8.719   1.475   2.205
   88    HB3  ARG  14           1HB      ARG  14   8.462   0.121   1.104
   89    HG2  ARG  14           2HG      ARG  14   8.356   1.761  -0.792
   90    HG3  ARG  14           1HG      ARG  14   8.799   3.035   0.349
   91    HD2  ARG  14           2HD      ARG  14  10.922   2.442  -0.371
   92    HD3  ARG  14           1HD      ARG  14  10.730   1.256   0.936
   93    HE   ARG  14           HE       ARG  14  10.512  -0.433  -0.699
   94   HH11  ARG  14          1HH2      ARG  14   9.983   2.713  -2.025
   95   HH12  ARG  14          2HH2      ARG  14   9.836   2.141  -3.652
   96   HH21  ARG  14          1HH1      ARG  14  10.320  -1.186  -2.817
   97   HH22  ARG  14          2HH1      ARG  14  10.024  -0.062  -4.101
   98    H    CYS  15           H        CYS  15   4.893   2.996   0.635
   99    HA   CYS  15           HA       CYS  15   5.971   5.387   1.970
  100    HB2  CYS  15           2HB      CYS  15   3.406   4.837   0.439
  101    HB3  CYS  15           1HB      CYS  15   4.010   6.436   0.877
  102    H    CYS  16           H        CYS  16   3.399   3.018   2.452
  103    HA   CYS  16           HA       CYS  16   1.803   4.345   4.372
  104    HB2  CYS  16           2HB      CYS  16   1.901   1.905   3.154
  105    HB3  CYS  16           1HB      CYS  16   2.380   1.469   4.797
  106    HN1  NH2  17           1H       CYS  16   2.977   5.498   6.021
  107    HN2  NH2  17           2H       CYS  16   3.998   4.734   7.141
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   2.662   8.410  -2.302
    2    HA   CYS   1           HA       CYS   1   2.556   6.430  -4.050
    3    HB2  CYS   1           2HB      CYS   1   2.895   4.838  -2.250
    4    HB3  CYS   1           1HB      CYS   1   3.575   6.385  -1.734
    5    H    CYS   2           H        CYS   2   1.252   4.191  -3.795
    6    HA   CYS   2           HA       CYS   2  -1.376   4.573  -4.754
    7    HB2  CYS   2           2HB      CYS   2  -1.589   2.114  -4.071
    8    HB3  CYS   2           1HB      CYS   2  -0.203   2.509  -5.093
    9    H    ASN   3           H        ASN   3  -3.081   2.977  -3.219
   10    HA   ASN   3           HA       ASN   3  -3.607   4.784  -0.914
   11    HB2  ASN   3           2HB      ASN   3  -5.858   4.038  -1.149
   12    HB3  ASN   3           1HB      ASN   3  -5.252   4.185  -2.802
   13   HD21  ASN   3          1HD2      ASN   3  -7.282   2.258  -1.335
   14   HD22  ASN   3          2HD2      ASN   3  -6.820   0.730  -1.909
   15    H    CYS   4           H        CYS   4  -3.054   4.094   1.105
   16    HA   CYS   4           HA       CYS   4  -1.932   1.543   1.705
   17    HB2  CYS   4           2HB      CYS   4  -3.036   3.901   3.183
   18    HB3  CYS   4           1HB      CYS   4  -2.723   2.427   4.106
   19    H    SER   5           H        SER   5  -5.259   2.673   1.644
   20    HA   SER   5           HA       SER   5  -6.629   0.884   3.271
   21    HB2  SER   5           2HB      SER   5  -7.681   1.273   0.520
   22    HB3  SER   5           1HB      SER   5  -8.440   1.627   2.070
   23    HG   SER   5           HG       SER   5  -7.142   3.274   0.416
   24    H    SER   6           H        SER   6  -5.148   0.236   0.115
   25    HA   SER   6           HA       SER   6  -6.161  -2.557   0.143
   26    HB2  SER   6           2HB      SER   6  -5.442  -0.581  -1.785
   27    HB3  SER   6           1HB      SER   6  -4.363  -1.958  -2.008
   28    HG   SER   6           HG       SER   6  -6.001  -3.128  -2.644
   29    H    LYS   7           H        LYS   7  -4.928  -4.078   1.150
   30    HA   LYS   7           HA       LYS   7  -2.434  -3.796   2.344
   31    HB2  LYS   7           2HB      LYS   7  -4.090  -5.994   1.235
   32    HB3  LYS   7           1HB      LYS   7  -2.392  -6.395   1.502
   33    HG2  LYS   7           2HG      LYS   7  -3.666  -6.895   3.523
   34    HG3  LYS   7           1HG      LYS   7  -2.595  -5.528   3.833
   35    HD2  LYS   7           2HD      LYS   7  -4.599  -4.045   3.166
   36    HD3  LYS   7           1HD      LYS   7  -5.576  -5.500   3.369
   37    HE2  LYS   7           2HE      LYS   7  -3.739  -5.104   5.612
   38    HE3  LYS   7           1HE      LYS   7  -4.866  -3.747   5.413
   39    HZ1  LYS   7           3HZ      LYS   7  -6.704  -5.185   5.436
   40    HZ2  LYS   7           1HZ      LYS   7  -5.727  -5.722   6.715
   41    HZ3  LYS   7           2HZ      LYS   7  -5.742  -6.572   5.243
   42    H    TRP   8           H        TRP   8  -3.075  -4.815  -1.032
   43    HA   TRP   8           HA       TRP   8  -0.493  -5.385  -1.924
   44    HB2  TRP   8           2HB      TRP   8  -2.367  -5.611  -3.395
   45    HB3  TRP   8           1HB      TRP   8  -2.820  -3.915  -3.191
   46    HD1  TRP   8           HD       TRP   8  -0.316  -6.167  -4.978
   47    HE1  TRP   8           1HE      TRP   8   0.882  -4.799  -6.805
   48    HE3  TRP   8           3HE      TRP   8  -2.094  -1.503  -3.897
   49    HZ2  TRP   8           2HZ      TRP   8   1.063  -2.085  -7.690
   50    HZ3  TRP   8           3HZ      TRP   8  -1.394   0.453  -5.247
   51    HH2  TRP   8           HH       TRP   8   0.181   0.168  -7.141
   52    H    CYS   9           H        CYS   9  -2.040  -2.151  -1.922
   53    HA   CYS   9           HA       CYS   9   0.045  -0.530  -2.778
   54    HB2  CYS   9           2HB      CYS   9  -2.219   0.206  -2.105
   55    HB3  CYS   9           1HB      CYS   9  -1.831  -0.131  -0.420
   56    H    ARG  10           H        ARG  10  -0.515  -1.628   0.572
   57    HA   ARG  10           HA       ARG  10   1.859  -0.539   1.716
   58    HB2  ARG  10           2HB      ARG  10  -0.017  -2.821   2.344
   59    HB3  ARG  10           1HB      ARG  10   1.302  -2.384   3.424
   60    HG2  ARG  10           2HG      ARG  10   0.403  -0.024   3.433
   61    HG3  ARG  10           1HG      ARG  10  -1.004  -0.629   2.555
   62    HD2  ARG  10           2HD      ARG  10  -1.014  -2.423   4.541
   63    HD3  ARG  10           1HD      ARG  10  -0.206  -1.094   5.393
   64    HE   ARG  10           HE       ARG  10  -2.540  -0.232   3.862
   65   HH11  ARG  10          1HH2      ARG  10  -1.334  -1.526   6.830
   66   HH12  ARG  10          2HH2      ARG  10  -2.658  -0.932   7.775
   67   HH21  ARG  10          1HH1      ARG  10  -4.268   0.551   5.090
   68   HH22  ARG  10          2HH1      ARG  10  -4.315   0.242   6.794
   69    H    ASP  11           H        ASP  11   1.266  -3.481  -0.123
   70    HA   ASP  11           HA       ASP  11   3.875  -4.660   0.613
   71    HB2  ASP  11           2HB      ASP  11   1.330  -5.452  -0.572
   72    HB3  ASP  11           1HB      ASP  11   2.700  -6.110  -1.466
   73    H    HIS  12           H        HIS  12   2.387  -2.952  -2.108
   74    HA   HIS  12           HA       HIS  12   4.826  -3.381  -3.762
   75    HB2  HIS  12           2HB      HIS  12   1.980  -2.568  -4.164
   76    HB3  HIS  12           1HB      HIS  12   3.168  -1.965  -5.324
   77    HD1  HIS  12           1HD      HIS  12   4.013  -3.591  -7.059
   78    HD2  HIS  12           2HD      HIS  12   1.943  -5.509  -3.990
   79    HE1  HIS  12           1HE      HIS  12   3.768  -6.011  -7.764
   80    H    SER  13           H        SER  13   4.190  -1.365  -1.337
   81    HA   SER  13           HA       SER  13   5.703   0.872  -2.592
   82    HB2  SER  13           2HB      SER  13   3.119   1.123  -1.021
   83    HB3  SER  13           1HB      SER  13   4.074   2.468  -1.639
   84    HG   SER  13           HG       SER  13   2.922   0.390  -3.200
   85    H    ARG  14           H        ARG  14   6.096   2.559  -0.630
   86    HA   ARG  14           HA       ARG  14   6.673   1.030   1.872
   87    HB2  ARG  14           2HB      ARG  14   8.949   1.943   1.847
   88    HB3  ARG  14           1HB      ARG  14   8.642   1.039   0.365
   89    HG2  ARG  14           2HG      ARG  14   8.019   3.224  -0.737
   90    HG3  ARG  14           1HG      ARG  14   8.594   4.044   0.716
   91    HD2  ARG  14           2HD      ARG  14  10.666   3.985  -0.204
   92    HD3  ARG  14           1HD      ARG  14  10.635   2.229   0.054
   93    HE   ARG  14           HE       ARG  14   9.145   2.584  -2.258
   94   HH11  ARG  14          1HH2      ARG  14  12.297   3.482  -1.163
   95   HH12  ARG  14          2HH2      ARG  14  12.999   3.438  -2.745
   96   HH21  ARG  14          1HH1      ARG  14  10.051   2.527  -4.324
   97   HH22  ARG  14          2HH1      ARG  14  11.730   2.898  -4.532
   98    H    CYS  15           H        CYS  15   4.846   3.365   0.831
   99    HA   CYS  15           HA       CYS  15   5.742   5.623   2.496
  100    HB2  CYS  15           2HB      CYS  15   3.804   6.705   1.505
  101    HB3  CYS  15           1HB      CYS  15   4.631   5.796   0.242
  102    H    CYS  16           H        CYS  16   3.556   2.897   2.730
  103    HA   CYS  16           HA       CYS  16   1.947   3.953   4.915
  104    HB2  CYS  16           2HB      CYS  16   1.858   1.857   3.102
  105    HB3  CYS  16           1HB      CYS  16   2.180   1.038   4.634
  106    HN1  NH2  17           1H       CYS  16   2.173   1.485   6.591
  107    HN2  NH2  17           2H       CYS  16   3.616   1.640   7.471
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   1.448   8.982  -4.716
    2    HA   CYS   1           HA       CYS   1   2.408   6.775  -4.756
    3    HB2  CYS   1           2HB      CYS   1   2.891   5.759  -2.493
    4    HB3  CYS   1           1HB      CYS   1   3.674   7.320  -2.759
    5    H    CYS   2           H        CYS   2   1.551   4.586  -3.260
    6    HA   CYS   2           HA       CYS   2  -1.166   4.238  -4.213
    7    HB2  CYS   2           2HB      CYS   2  -0.861   2.010  -3.157
    8    HB3  CYS   2           1HB      CYS   2   0.539   2.461  -4.135
    9    H    ASN   3           H        ASN   3  -2.496   2.878  -2.231
   10    HA   ASN   3           HA       ASN   3  -2.816   4.930  -0.065
   11    HB2  ASN   3           2HB      ASN   3  -5.219   4.296  -0.186
   12    HB3  ASN   3           1HB      ASN   3  -4.621   4.903  -1.733
   13   HD21  ASN   3          1HD2      ASN   3  -6.773   2.767  -0.891
   14   HD22  ASN   3          2HD2      ASN   3  -6.409   1.450  -1.899
   15    H    CYS   4           H        CYS   4  -3.168   4.142   2.041
   16    HA   CYS   4           HA       CYS   4  -2.058   1.565   2.720
   17    HB2  CYS   4           2HB      CYS   4  -3.516   3.806   4.106
   18    HB3  CYS   4           1HB      CYS   4  -3.155   2.317   4.986
   19    H    SER   5           H        SER   5  -5.244   2.586   1.814
   20    HA   SER   5           HA       SER   5  -6.780   0.596   3.232
   21    HB2  SER   5           2HB      SER   5  -7.129   2.747   1.360
   22    HB3  SER   5           1HB      SER   5  -8.022   1.343   0.783
   23    HG   SER   5           HG       SER   5  -9.309   1.465   2.466
   24    H    SER   6           H        SER   6  -4.588   0.304   0.638
   25    HA   SER   6           HA       SER   6  -5.897  -2.240  -0.271
   26    HB2  SER   6           2HB      SER   6  -4.636   0.038  -1.591
   27    HB3  SER   6           1HB      SER   6  -3.939  -1.495  -2.115
   28    HG   SER   6           HG       SER   6  -6.164  -2.197  -2.413
   29    H    LYS   7           H        LYS   7  -4.858  -4.023   0.527
   30    HA   LYS   7           HA       LYS   7  -2.455  -4.102   1.974
   31    HB2  LYS   7           2HB      LYS   7  -4.177  -5.981   0.449
   32    HB3  LYS   7           1HB      LYS   7  -2.547  -6.557   0.798
   33    HG2  LYS   7           2HG      LYS   7  -4.112  -5.269   3.003
   34    HG3  LYS   7           1HG      LYS   7  -4.502  -6.928   2.546
   35    HD2  LYS   7           2HD      LYS   7  -1.634  -6.588   2.710
   36    HD3  LYS   7           1HD      LYS   7  -2.396  -6.084   4.219
   37    HE2  LYS   7           2HE      LYS   7  -2.868  -8.232   4.777
   38    HE3  LYS   7           1HE      LYS   7  -3.583  -8.547   3.183
   39    HZ1  LYS   7           3HZ      LYS   7  -1.242  -8.536   2.311
   40    HZ2  LYS   7           1HZ      LYS   7  -1.639  -9.861   3.294
   41    HZ3  LYS   7           2HZ      LYS   7  -0.713  -8.584   3.925
   42    H    TRP   8           H        TRP   8  -2.940  -4.390  -1.543
   43    HA   TRP   8           HA       TRP   8  -0.325  -5.113  -2.336
   44    HB2  TRP   8           2HB      TRP   8  -2.165  -5.040  -3.892
   45    HB3  TRP   8           1HB      TRP   8  -2.453  -3.329  -3.556
   46    HD1  TRP   8           HD       TRP   8  -0.168  -5.673  -5.486
   47    HE1  TRP   8           1HE      TRP   8   1.289  -4.285  -7.098
   48    HE3  TRP   8           3HE      TRP   8  -1.346  -0.964  -3.904
   49    HZ2  TRP   8           2HZ      TRP   8   1.881  -1.538  -7.641
   50    HZ3  TRP   8           3HZ      TRP   8  -0.322   1.018  -4.983
   51    HH2  TRP   8           HH       TRP   8   1.286   0.737  -6.849
   52    H    CYS   9           H        CYS   9  -1.698  -1.814  -2.021
   53    HA   CYS   9           HA       CYS   9   0.534  -0.236  -2.538
   54    HB2  CYS   9           2HB      CYS   9  -1.585   0.742  -1.998
   55    HB3  CYS   9           1HB      CYS   9  -1.657  -0.090  -0.450
   56    H    ARG  10           H        ARG  10  -0.382  -1.560   0.635
   57    HA   ARG  10           HA       ARG  10   1.961  -0.807   2.061
   58    HB2  ARG  10           2HB      ARG  10  -0.120  -2.985   2.318
   59    HB3  ARG  10           1HB      ARG  10   1.107  -2.714   3.549
   60    HG2  ARG  10           2HG      ARG  10   0.085  -0.168   2.985
   61    HG3  ARG  10           1HG      ARG  10  -1.323  -1.225   3.042
   62    HD2  ARG  10           2HD      ARG  10   0.759  -0.800   5.200
   63    HD3  ARG  10           1HD      ARG  10  -0.994  -0.547   5.308
   64    HE   ARG  10           HE       ARG  10  -0.883  -3.179   4.624
   65   HH11  ARG  10          1HH2      ARG  10   0.809  -1.286   6.971
   66   HH12  ARG  10          2HH2      ARG  10   1.050  -2.615   8.052
   67   HH21  ARG  10          1HH1      ARG  10  -0.575  -4.912   6.034
   68   HH22  ARG  10          2HH1      ARG  10   0.266  -4.660   7.528
   69    H    ASP  11           H        ASP  11   1.373  -3.432  -0.172
   70    HA   ASP  11           HA       ASP  11   3.820  -4.876   0.712
   71    HB2  ASP  11           2HB      ASP  11   1.430  -5.413  -1.025
   72    HB3  ASP  11           1HB      ASP  11   2.874  -6.411  -1.212
   73    H    HIS  12           H        HIS  12   2.457  -3.539  -2.329
   74    HA   HIS  12           HA       HIS  12   5.007  -3.850  -3.735
   75    HB2  HIS  12           2HB      HIS  12   2.240  -2.838  -4.286
   76    HB3  HIS  12           1HB      HIS  12   3.537  -2.403  -5.405
   77    HD1  HIS  12           1HD      HIS  12   3.917  -4.065  -7.214
   78    HD2  HIS  12           2HD      HIS  12   2.279  -5.858  -3.826
   79    HE1  HIS  12           1HE      HIS  12   3.561  -6.503  -7.796
   80    H    SER  13           H        SER  13   4.062  -1.660  -1.431
   81    HA   SER  13           HA       SER  13   6.008   0.346  -2.437
   82    HB2  SER  13           2HB      SER  13   3.741   1.766  -1.443
   83    HB3  SER  13           1HB      SER  13   4.379   1.760  -3.087
   84    HG   SER  13           HG       SER  13   3.126  -0.114  -3.470
   85    H    ARG  14           H        ARG  14   6.125   2.177  -0.635
   86    HA   ARG  14           HA       ARG  14   5.920   0.874   2.058
   87    HB2  ARG  14           2HB      ARG  14   8.108   2.181   2.467
   88    HB3  ARG  14           1HB      ARG  14   8.204   0.758   1.428
   89    HG2  ARG  14           2HG      ARG  14   7.987   2.221  -0.566
   90    HG3  ARG  14           1HG      ARG  14   7.970   3.633   0.493
   91    HD2  ARG  14           2HD      ARG  14  10.225   3.530   0.858
   92    HD3  ARG  14           1HD      ARG  14  10.219   1.757   0.946
   93    HE   ARG  14           HE       ARG  14   9.612   2.694  -1.731
   94   HH11  ARG  14          1HH2      ARG  14  12.126   2.118   0.569
   95   HH12  ARG  14          2HH2      ARG  14  13.339   1.839  -0.635
   96   HH21  ARG  14          1HH1      ARG  14  11.185   2.329  -3.307
   97   HH22  ARG  14          2HH1      ARG  14  12.807   1.957  -2.828
   98    H    CYS  15           H        CYS  15   4.664   3.262   0.245
   99    HA   CYS  15           HA       CYS  15   4.979   5.673   1.724
  100    HB2  CYS  15           2HB      CYS  15   3.789   5.001  -0.552
  101    HB3  CYS  15           1HB      CYS  15   2.365   4.876   0.482
  102    H    CYS  16           H        CYS  16   3.137   2.775   2.390
  103    HA   CYS  16           HA       CYS  16   1.397   4.012   4.395
  104    HB2  CYS  16           2HB      CYS  16   1.098   1.904   2.855
  105    HB3  CYS  16           1HB      CYS  16   1.988   1.070   4.133
  106    HN1  NH2  17           1H       CYS  16   4.247   1.790   4.532
  107    HN2  NH2  17           2H       CYS  16   4.630   2.133   6.150
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   2.001   8.964  -2.689
    2    HA   CYS   1           HA       CYS   1   2.497   6.539  -3.922
    3    HB2  CYS   1           2HB      CYS   1   1.919   7.454  -1.140
    4    HB3  CYS   1           1HB      CYS   1   1.971   5.710  -1.417
    5    H    CYS   2           H        CYS   2   1.340   4.390  -3.534
    6    HA   CYS   2           HA       CYS   2  -1.306   4.431  -4.608
    7    HB2  CYS   2           2HB      CYS   2  -1.207   1.990  -3.919
    8    HB3  CYS   2           1HB      CYS   2   0.177   2.539  -4.870
    9    H    ASN   3           H        ASN   3  -3.114   3.155  -3.335
   10    HA   ASN   3           HA       ASN   3  -3.734   4.722  -0.936
   11    HB2  ASN   3           2HB      ASN   3  -5.062   3.126  -2.955
   12    HB3  ASN   3           1HB      ASN   3  -5.611   2.646  -1.345
   13   HD21  ASN   3          1HD2      ASN   3  -7.044   4.058  -0.266
   14   HD22  ASN   3          2HD2      ASN   3  -7.478   5.595  -0.842
   15    H    CYS   4           H        CYS   4  -2.660   4.079   0.918
   16    HA   CYS   4           HA       CYS   4  -1.637   1.497   1.492
   17    HB2  CYS   4           2HB      CYS   4  -2.521   3.876   3.128
   18    HB3  CYS   4           1HB      CYS   4  -1.844   2.438   3.902
   19    H    SER   5           H        SER   5  -4.895   2.610   1.468
   20    HA   SER   5           HA       SER   5  -6.041   0.928   3.493
   21    HB2  SER   5           2HB      SER   5  -7.224   2.817   2.557
   22    HB3  SER   5           1HB      SER   5  -7.079   2.165   0.927
   23    HG   SER   5           HG       SER   5  -8.502   1.009   3.101
   24    H    SER   6           H        SER   6  -4.558   0.122   0.542
   25    HA   SER   6           HA       SER   6  -6.073  -2.463   0.385
   26    HB2  SER   6           2HB      SER   6  -5.570  -0.496  -1.514
   27    HB3  SER   6           1HB      SER   6  -4.353  -1.723  -1.870
   28    HG   SER   6           HG       SER   6  -7.022  -1.760  -2.296
   29    H    LYS   7           H        LYS   7  -4.930  -4.237   1.012
   30    HA   LYS   7           HA       LYS   7  -2.393  -4.351   2.106
   31    HB2  LYS   7           2HB      LYS   7  -3.963  -6.316   0.420
   32    HB3  LYS   7           1HB      LYS   7  -2.477  -6.775   1.252
   33    HG2  LYS   7           2HG      LYS   7  -3.734  -7.157   3.086
   34    HG3  LYS   7           1HG      LYS   7  -3.984  -5.414   3.185
   35    HD2  LYS   7           2HD      LYS   7  -5.821  -6.004   1.302
   36    HD3  LYS   7           1HD      LYS   7  -5.809  -7.536   2.177
   37    HE2  LYS   7           2HE      LYS   7  -6.814  -6.625   4.017
   38    HE3  LYS   7           1HE      LYS   7  -5.863  -5.131   3.907
   39    HZ1  LYS   7           3HZ      LYS   7  -8.424  -5.243   3.226
   40    HZ2  LYS   7           1HZ      LYS   7  -7.729  -5.653   1.734
   41    HZ3  LYS   7           2HZ      LYS   7  -7.321  -4.184   2.484
   42    H    TRP   8           H        TRP   8  -3.223  -4.430  -1.344
   43    HA   TRP   8           HA       TRP   8  -0.706  -5.149  -2.435
   44    HB2  TRP   8           2HB      TRP   8  -2.751  -5.007  -3.744
   45    HB3  TRP   8           1HB      TRP   8  -2.904  -3.283  -3.387
   46    HD1  TRP   8           HD       TRP   8  -0.671  -5.743  -5.320
   47    HE1  TRP   8           1HE      TRP   8   0.548  -4.447  -7.184
   48    HE3  TRP   8           3HE      TRP   8  -2.135  -0.983  -4.187
   49    HZ2  TRP   8           2HZ      TRP   8   0.864  -1.748  -8.076
   50    HZ3  TRP   8           3HZ      TRP   8  -1.360   0.929  -5.558
   51    HH2  TRP   8           HH       TRP   8   0.136   0.554  -7.499
   52    H    CYS   9           H        CYS   9  -2.025  -1.872  -1.812
   53    HA   CYS   9           HA       CYS   9   0.235  -0.356  -2.561
   54    HB2  CYS   9           2HB      CYS   9  -2.029   0.488  -1.961
   55    HB3  CYS   9           1HB      CYS   9  -1.719   0.077  -0.276
   56    H    ARG  10           H        ARG  10  -0.609  -1.568   0.698
   57    HA   ARG  10           HA       ARG  10   1.739  -0.727   2.045
   58    HB2  ARG  10           2HB      ARG  10  -0.186  -3.039   2.399
   59    HB3  ARG  10           1HB      ARG  10   1.028  -2.608   3.598
   60    HG2  ARG  10           2HG      ARG  10  -0.003  -0.587   4.122
   61    HG3  ARG  10           1HG      ARG  10  -0.806  -0.478   2.555
   62    HD2  ARG  10           2HD      ARG  10  -2.350  -1.058   4.496
   63    HD3  ARG  10           1HD      ARG  10  -2.370  -2.240   3.171
   64    HE   ARG  10           HE       ARG  10  -1.302  -3.788   4.607
   65   HH11  ARG  10          1HH2      ARG  10  -1.038  -0.546   5.772
   66   HH12  ARG  10          2HH2      ARG  10  -0.315  -1.010   7.275
   67   HH21  ARG  10          1HH1      ARG  10  -0.356  -4.401   6.564
   68   HH22  ARG  10          2HH1      ARG  10   0.072  -3.187   7.722
   69    H    ASP  11           H        ASP  11   1.152  -3.502  -0.052
   70    HA   ASP  11           HA       ASP  11   3.775  -4.707   0.680
   71    HB2  ASP  11           2HB      ASP  11   1.210  -5.616  -0.130
   72    HB3  ASP  11           1HB      ASP  11   2.329  -6.043  -1.425
   73    H    HIS  12           H        HIS  12   2.322  -2.746  -1.793
   74    HA   HIS  12           HA       HIS  12   4.615  -3.295  -3.637
   75    HB2  HIS  12           2HB      HIS  12   1.765  -2.396  -3.909
   76    HB3  HIS  12           1HB      HIS  12   2.924  -1.924  -5.157
   77    HD1  HIS  12           1HD      HIS  12   2.827  -3.540  -7.042
   78    HD2  HIS  12           2HD      HIS  12   2.325  -5.456  -3.373
   79    HE1  HIS  12           1HE      HIS  12   2.619  -6.013  -7.547
   80    H    SER  13           H        SER  13   4.631  -1.488  -1.198
   81    HA   SER  13           HA       SER  13   6.011   0.761  -2.421
   82    HB2  SER  13           2HB      SER  13   4.405   2.473  -1.889
   83    HB3  SER  13           1HB      SER  13   3.524   1.214  -2.748
   84    HG   SER  13           HG       SER  13   3.446   1.970  -0.068
   85    H    ARG  14           H        ARG  14   6.508   2.441  -0.616
   86    HA   ARG  14           HA       ARG  14   6.802   1.021   2.011
   87    HB2  ARG  14           2HB      ARG  14   8.661   2.851   0.462
   88    HB3  ARG  14           1HB      ARG  14   8.947   2.381   2.138
   89    HG2  ARG  14           2HG      ARG  14   9.755   0.376   1.509
   90    HG3  ARG  14           1HG      ARG  14   8.327   0.056   0.523
   91    HD2  ARG  14           2HD      ARG  14  10.147   2.068  -0.642
   92    HD3  ARG  14           1HD      ARG  14  10.843   0.440  -0.512
   93    HE   ARG  14           HE       ARG  14   8.256   0.016  -1.452
   94   HH11  ARG  14          1HH2      ARG  14  11.023   1.849  -2.410
   95   HH12  ARG  14          2HH2      ARG  14  10.659   1.756  -4.100
   96   HH21  ARG  14          1HH1      ARG  14   7.773  -0.111  -3.653
   97   HH22  ARG  14          2HH1      ARG  14   8.822   0.647  -4.804
   98    H    CYS  15           H        CYS  15   4.990   3.273   0.627
   99    HA   CYS  15           HA       CYS  15   5.437   5.616   2.302
  100    HB2  CYS  15           2HB      CYS  15   3.650   4.663   0.172
  101    HB3  CYS  15           1HB      CYS  15   2.851   5.730   1.327
  102    H    CYS  16           H        CYS  16   3.179   2.853   2.384
  103    HA   CYS  16           HA       CYS  16   1.541   3.704   4.535
  104    HB2  CYS  16           2HB      CYS  16   2.491   0.918   3.791
  105    HB3  CYS  16           1HB      CYS  16   1.006   1.321   4.655
  106    HN1  NH2  17           1H       CYS  16   1.651   2.432   6.788
  107    HN2  NH2  17           2H       CYS  16   3.176   2.391   7.534
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   1.978   7.745  -5.787
    2    HA   CYS   1           HA       CYS   1   3.088   5.856  -3.817
    3    HB2  CYS   1           2HB      CYS   1   3.483   7.951  -2.689
    4    HB3  CYS   1           1HB      CYS   1   1.869   8.538  -3.098
    5    H    CYS   2           H        CYS   2   1.291   4.780  -2.602
    6    HA   CYS   2           HA       CYS   2  -1.318   4.974  -4.076
    7    HB2  CYS   2           2HB      CYS   2  -1.431   2.483  -3.503
    8    HB3  CYS   2           1HB      CYS   2  -0.193   2.941  -4.676
    9    H    ASN   3           H        ASN   3  -2.980   3.569  -2.539
   10    HA   ASN   3           HA       ASN   3  -2.982   5.049   0.047
   11    HB2  ASN   3           2HB      ASN   3  -5.369   4.462   0.022
   12    HB3  ASN   3           1HB      ASN   3  -4.906   5.155  -1.536
   13   HD21  ASN   3          1HD2      ASN   3  -5.727   2.109   0.105
   14   HD22  ASN   3          2HD2      ASN   3  -5.994   1.219  -1.315
   15    H    CYS   4           H        CYS   4  -3.086   3.964   2.026
   16    HA   CYS   4           HA       CYS   4  -1.918   1.325   2.182
   17    HB2  CYS   4           2HB      CYS   4  -3.179   3.305   4.078
   18    HB3  CYS   4           1HB      CYS   4  -2.592   1.740   4.655
   19    H    SER   5           H        SER   5  -5.212   2.527   2.107
   20    HA   SER   5           HA       SER   5  -6.693   0.540   3.381
   21    HB2  SER   5           2HB      SER   5  -7.426   1.561   0.643
   22    HB3  SER   5           1HB      SER   5  -8.468   1.314   2.041
   23    HG   SER   5           HG       SER   5  -8.101   3.334   2.453
   24    H    SER   6           H        SER   6  -4.873   0.284   0.382
   25    HA   SER   6           HA       SER   6  -6.026  -2.408  -0.166
   26    HB2  SER   6           2HB      SER   6  -4.826  -0.201  -1.658
   27    HB3  SER   6           1HB      SER   6  -4.127  -1.759  -2.104
   28    HG   SER   6           HG       SER   6  -6.172  -2.510  -2.576
   29    H    LYS   7           H        LYS   7  -4.929  -4.162   0.623
   30    HA   LYS   7           HA       LYS   7  -2.497  -4.115   2.042
   31    HB2  LYS   7           2HB      LYS   7  -4.082  -5.976   2.055
   32    HB3  LYS   7           1HB      LYS   7  -3.784  -6.281   0.344
   33    HG2  LYS   7           2HG      LYS   7  -1.240  -6.291   1.520
   34    HG3  LYS   7           1HG      LYS   7  -2.263  -7.173   2.654
   35    HD2  LYS   7           2HD      LYS   7  -3.156  -8.414   0.559
   36    HD3  LYS   7           1HD      LYS   7  -1.723  -7.778  -0.250
   37    HE2  LYS   7           2HE      LYS   7  -0.371  -8.759   1.712
   38    HE3  LYS   7           1HE      LYS   7  -1.845  -9.665   2.112
   39    HZ1  LYS   7           3HZ      LYS   7  -0.571  -9.611  -0.572
   40    HZ2  LYS   7           1HZ      LYS   7  -1.922 -10.530  -0.116
   41    HZ3  LYS   7           2HZ      LYS   7  -0.397 -10.875   0.549
   42    H    TRP   8           H        TRP   8  -3.078  -4.425  -1.445
   43    HA   TRP   8           HA       TRP   8  -0.498  -5.199  -2.317
   44    HB2  TRP   8           2HB      TRP   8  -2.324  -5.103  -3.857
   45    HB3  TRP   8           1HB      TRP   8  -2.673  -3.420  -3.450
   46    HD1  TRP   8           HD       TRP   8  -0.180  -5.591  -5.373
   47    HE1  TRP   8           1HE      TRP   8   1.127  -4.093  -7.015
   48    HE3  TRP   8           3HE      TRP   8  -1.881  -0.999  -3.925
   49    HZ2  TRP   8           2HZ      TRP   8   1.413  -1.315  -7.633
   50    HZ3  TRP   8           3HZ      TRP   8  -1.075   1.055  -5.055
   51    HH2  TRP   8           HH       TRP   8   0.568   0.902  -6.906
   52    H    CYS   9           H        CYS   9  -1.800  -1.867  -2.008
   53    HA   CYS   9           HA       CYS   9   0.458  -0.347  -2.572
   54    HB2  CYS   9           2HB      CYS   9  -1.793   0.491  -1.960
   55    HB3  CYS   9           1HB      CYS   9  -1.526  -0.013  -0.295
   56    H    ARG  10           H        ARG  10  -0.403  -1.763   0.585
   57    HA   ARG  10           HA       ARG  10   1.931  -0.953   2.009
   58    HB2  ARG  10           2HB      ARG  10  -0.034  -3.246   2.262
   59    HB3  ARG  10           1HB      ARG  10   1.161  -2.864   3.496
   60    HG2  ARG  10           2HG      ARG  10   0.157  -0.820   4.033
   61    HG3  ARG  10           1HG      ARG  10  -0.670  -0.711   2.478
   62    HD2  ARG  10           2HD      ARG  10  -2.264  -1.293   4.294
   63    HD3  ARG  10           1HD      ARG  10  -2.119  -2.631   3.138
   64    HE   ARG  10           HE       ARG  10  -1.005  -3.891   4.804
   65   HH11  ARG  10          1HH2      ARG  10  -1.151  -0.531   5.594
   66   HH12  ARG  10          2HH2      ARG  10  -0.503  -0.745   7.184
   67   HH21  ARG  10          1HH1      ARG  10  -0.158  -4.180   6.877
   68   HH22  ARG  10          2HH1      ARG  10   0.060  -2.806   7.908
   69    H    ASP  11           H        ASP  11   1.281  -3.715  -0.099
   70    HA   ASP  11           HA       ASP  11   3.928  -4.915   0.559
   71    HB2  ASP  11           2HB      ASP  11   1.359  -5.888   0.063
   72    HB3  ASP  11           1HB      ASP  11   2.247  -6.259  -1.415
   73    H    HIS  12           H        HIS  12   2.725  -2.676  -1.623
   74    HA   HIS  12           HA       HIS  12   4.788  -3.455  -3.659
   75    HB2  HIS  12           2HB      HIS  12   1.907  -2.690  -3.862
   76    HB3  HIS  12           1HB      HIS  12   2.988  -2.135  -5.146
   77    HD1  HIS  12           1HD      HIS  12   3.676  -3.830  -6.877
   78    HD2  HIS  12           2HD      HIS  12   1.950  -5.624  -3.533
   79    HE1  HIS  12           1HE      HIS  12   3.417  -6.287  -7.436
   80    H    SER  13           H        SER  13   4.205  -1.289  -1.300
   81    HA   SER  13           HA       SER  13   5.723   0.844  -2.712
   82    HB2  SER  13           2HB      SER  13   3.016   1.127  -1.378
   83    HB3  SER  13           1HB      SER  13   4.041   2.505  -1.782
   84    HG   SER  13           HG       SER  13   2.979   0.549  -3.549
   85    H    ARG  14           H        ARG  14   5.592   2.766  -0.700
   86    HA   ARG  14           HA       ARG  14   6.461   1.375   1.799
   87    HB2  ARG  14           2HB      ARG  14   8.421   3.025   1.762
   88    HB3  ARG  14           1HB      ARG  14   8.481   1.735   0.560
   89    HG2  ARG  14           2HG      ARG  14   7.008   4.081  -0.387
   90    HG3  ARG  14           1HG      ARG  14   8.684   4.451   0.021
   91    HD2  ARG  14           2HD      ARG  14   9.209   2.250  -1.333
   92    HD3  ARG  14           1HD      ARG  14   7.623   2.562  -2.065
   93    HE   ARG  14           HE       ARG  14   8.868   5.038  -2.103
   94   HH11  ARG  14          1HH2      ARG  14   9.628   1.850  -3.195
   95   HH12  ARG  14          2HH2      ARG  14  10.593   2.397  -4.525
   96   HH21  ARG  14          1HH1      ARG  14  10.126   5.761  -3.833
   97   HH22  ARG  14          2HH1      ARG  14  10.873   4.607  -4.887
   98    H    CYS  15           H        CYS  15   4.329   3.454   0.556
   99    HA   CYS  15           HA       CYS  15   4.607   5.852   2.126
  100    HB2  CYS  15           2HB      CYS  15   2.429   4.425   0.614
  101    HB3  CYS  15           1HB      CYS  15   2.034   5.850   1.575
  102    H    CYS  16           H        CYS  16   2.720   2.849   2.627
  103    HA   CYS  16           HA       CYS  16   1.418   3.555   5.031
  104    HB2  CYS  16           2HB      CYS  16   2.512   0.933   3.967
  105    HB3  CYS  16           1HB      CYS  16   1.373   1.055   5.307
  106    HN1  NH2  17           1H       CYS  16   3.953   1.065   5.243
  107    HN2  NH2  17           2H       CYS  16   4.782   1.761   6.552
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   1.150   8.903  -4.657
    2    HA   CYS   1           HA       CYS   1   2.130   6.664  -5.001
    3    HB2  CYS   1           2HB      CYS   1   2.777   5.442  -2.917
    4    HB3  CYS   1           1HB      CYS   1   3.602   6.998  -3.072
    5    H    CYS   2           H        CYS   2   1.194   4.417  -3.792
    6    HA   CYS   2           HA       CYS   2  -1.640   4.464  -4.365
    7    HB2  CYS   2           2HB      CYS   2  -1.438   2.078  -3.592
    8    HB3  CYS   2           1HB      CYS   2  -0.224   2.525  -4.796
    9    H    ASN   3           H        ASN   3  -3.238   3.570  -2.711
   10    HA   ASN   3           HA       ASN   3  -2.987   5.115  -0.199
   11    HB2  ASN   3           2HB      ASN   3  -5.401   4.389  -0.002
   12    HB3  ASN   3           1HB      ASN   3  -5.037   5.270  -1.490
   13   HD21  ASN   3          1HD2      ASN   3  -5.643   2.005  -0.180
   14   HD22  ASN   3          2HD2      ASN   3  -6.002   1.293  -1.679
   15    H    CYS   4           H        CYS   4  -2.966   4.150   1.861
   16    HA   CYS   4           HA       CYS   4  -1.855   1.488   2.083
   17    HB2  CYS   4           2HB      CYS   4  -2.846   3.661   3.906
   18    HB3  CYS   4           1HB      CYS   4  -2.468   2.075   4.585
   19    H    SER   5           H        SER   5  -5.033   2.567   1.617
   20    HA   SER   5           HA       SER   5  -6.484   0.698   3.275
   21    HB2  SER   5           2HB      SER   5  -6.949   2.788   1.357
   22    HB3  SER   5           1HB      SER   5  -7.941   1.397   0.931
   23    HG   SER   5           HG       SER   5  -8.714   1.391   3.075
   24    H    SER   6           H        SER   6  -4.558   0.236   0.515
   25    HA   SER   6           HA       SER   6  -6.056  -2.246  -0.247
   26    HB2  SER   6           2HB      SER   6  -4.689  -0.096  -1.663
   27    HB3  SER   6           1HB      SER   6  -4.090  -1.680  -2.159
   28    HG   SER   6           HG       SER   6  -6.794  -0.803  -2.081
   29    H    LYS   7           H        LYS   7  -5.119  -4.130   0.422
   30    HA   LYS   7           HA       LYS   7  -2.742  -4.397   1.888
   31    HB2  LYS   7           2HB      LYS   7  -4.174  -6.232   1.927
   32    HB3  LYS   7           1HB      LYS   7  -4.488  -6.152   0.196
   33    HG2  LYS   7           2HG      LYS   7  -1.686  -6.750   0.934
   34    HG3  LYS   7           1HG      LYS   7  -2.855  -8.002   1.352
   35    HD2  LYS   7           2HD      LYS   7  -3.527  -7.082  -1.250
   36    HD3  LYS   7           1HD      LYS   7  -1.785  -7.354  -1.234
   37    HE2  LYS   7           2HE      LYS   7  -2.850  -9.548   0.162
   38    HE3  LYS   7           1HE      LYS   7  -3.925  -9.318  -1.231
   39    HZ1  LYS   7           3HZ      LYS   7  -1.803  -8.984  -2.553
   40    HZ2  LYS   7           1HZ      LYS   7  -2.144 -10.571  -2.060
   41    HZ3  LYS   7           2HZ      LYS   7  -0.983  -9.654  -1.224
   42    H    TRP   8           H        TRP   8  -3.209  -4.526  -1.645
   43    HA   TRP   8           HA       TRP   8  -0.605  -5.369  -2.404
   44    HB2  TRP   8           2HB      TRP   8  -2.375  -5.229  -4.017
   45    HB3  TRP   8           1HB      TRP   8  -2.664  -3.524  -3.645
   46    HD1  TRP   8           HD       TRP   8  -0.138  -5.833  -5.369
   47    HE1  TRP   8           1HE      TRP   8   1.309  -4.422  -6.970
   48    HE3  TRP   8           3HE      TRP   8  -1.797  -1.153  -4.171
   49    HZ2  TRP   8           2HZ      TRP   8   1.709  -1.674  -7.654
   50    HZ3  TRP   8           3HZ      TRP   8  -0.867   0.841  -5.310
   51    HH2  TRP   8           HH       TRP   8   0.882   0.586  -7.050
   52    H    CYS   9           H        CYS   9  -1.853  -2.011  -2.179
   53    HA   CYS   9           HA       CYS   9   0.481  -0.563  -2.624
   54    HB2  CYS   9           2HB      CYS   9  -1.757   0.381  -2.202
   55    HB3  CYS   9           1HB      CYS   9  -1.673  -0.143  -0.522
   56    H    ARG  10           H        ARG  10  -0.643  -1.742   0.564
   57    HA   ARG  10           HA       ARG  10   1.627  -1.007   2.080
   58    HB2  ARG  10           2HB      ARG  10  -0.407  -3.241   2.236
   59    HB3  ARG  10           1HB      ARG  10   0.772  -2.959   3.512
   60    HG2  ARG  10           2HG      ARG  10  -0.174  -0.942   4.143
   61    HG3  ARG  10           1HG      ARG  10  -0.827  -0.630   2.534
   62    HD2  ARG  10           2HD      ARG  10  -2.591  -1.224   4.251
   63    HD3  ARG  10           1HD      ARG  10  -2.559  -2.330   2.862
   64    HE   ARG  10           HE       ARG  10  -0.751  -3.445   4.647
   65   HH11  ARG  10          1HH2      ARG  10  -4.054  -2.437   4.736
   66   HH12  ARG  10          2HH2      ARG  10  -4.513  -3.611   5.923
   67   HH21  ARG  10          1HH1      ARG  10  -1.341  -4.979   6.196
   68   HH22  ARG  10          2HH1      ARG  10  -2.982  -5.046   6.748
   69    H    ASP  11           H        ASP  11   1.061  -3.800  -0.016
   70    HA   ASP  11           HA       ASP  11   3.686  -4.971   0.769
   71    HB2  ASP  11           2HB      ASP  11   1.128  -5.959   0.150
   72    HB3  ASP  11           1HB      ASP  11   2.137  -6.407  -1.224
   73    H    HIS  12           H        HIS  12   3.002  -2.564  -1.219
   74    HA   HIS  12           HA       HIS  12   4.956  -3.487  -3.277
   75    HB2  HIS  12           2HB      HIS  12   2.085  -2.747  -3.611
   76    HB3  HIS  12           1HB      HIS  12   3.208  -2.210  -4.865
   77    HD1  HIS  12           1HD      HIS  12   4.348  -4.023  -6.314
   78    HD2  HIS  12           2HD      HIS  12   1.778  -5.584  -3.426
   79    HE1  HIS  12           1HE      HIS  12   4.039  -6.473  -6.879
   80    H    SER  13           H        SER  13   4.620  -1.334  -0.984
   81    HA   SER  13           HA       SER  13   6.101   0.747  -2.435
   82    HB2  SER  13           2HB      SER  13   4.041   2.202  -1.180
   83    HB3  SER  13           1HB      SER  13   4.269   1.969  -2.914
   84    HG   SER  13           HG       SER  13   2.937   0.204  -2.834
   85    H    ARG  14           H        ARG  14   6.238   2.745  -0.708
   86    HA   ARG  14           HA       ARG  14   6.919   1.482   1.929
   87    HB2  ARG  14           2HB      ARG  14   8.800   3.025   1.973
   88    HB3  ARG  14           1HB      ARG  14   8.799   2.204   0.412
   89    HG2  ARG  14           2HG      ARG  14   8.738   4.214  -0.592
   90    HG3  ARG  14           1HG      ARG  14   7.137   4.467   0.104
   91    HD2  ARG  14           2HD      ARG  14   7.999   5.642   1.968
   92    HD3  ARG  14           1HD      ARG  14   9.638   5.014   1.713
   93    HE   ARG  14           HE       ARG  14   9.959   6.649   0.028
   94   HH11  ARG  14          1HH2      ARG  14   6.628   6.286   0.881
   95   HH12  ARG  14          2HH2      ARG  14   6.109   7.648  -0.054
   96   HH21  ARG  14          1HH1      ARG  14   9.289   8.424  -1.195
   97   HH22  ARG  14          2HH1      ARG  14   7.612   8.856  -1.230
   98    H    CYS  15           H        CYS  15   5.037   3.859   0.331
   99    HA   CYS  15           HA       CYS  15   4.844   6.034   2.044
  100    HB2  CYS  15           2HB      CYS  15   3.100   4.537   0.204
  101    HB3  CYS  15           1HB      CYS  15   2.216   5.475   1.407
  102    H    CYS  16           H        CYS  16   3.544   2.770   2.562
  103    HA   CYS  16           HA       CYS  16   2.183   3.557   5.055
  104    HB2  CYS  16           2HB      CYS  16   1.995   1.535   3.109
  105    HB3  CYS  16           1HB      CYS  16   2.516   0.708   4.582
  106    HN1  NH2  17           1H       CYS  16   5.331   2.306   4.123
  107    HN2  NH2  17           2H       CYS  16   5.895   1.989   5.693
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   1.799   9.165  -4.674
    2    HA   CYS   1           HA       CYS   1   2.136   6.648  -4.697
    3    HB2  CYS   1           2HB      CYS   1   2.847   8.129  -2.770
    4    HB3  CYS   1           1HB      CYS   1   1.318   7.723  -1.981
    5    H    CYS   2           H        CYS   2   1.205   4.627  -3.622
    6    HA   CYS   2           HA       CYS   2  -1.549   4.262  -4.379
    7    HB2  CYS   2           2HB      CYS   2  -1.173   2.034  -3.290
    8    HB3  CYS   2           1HB      CYS   2   0.115   2.474  -4.414
    9    H    ASN   3           H        ASN   3  -2.912   2.999  -2.465
   10    HA   ASN   3           HA       ASN   3  -3.059   4.969  -0.206
   11    HB2  ASN   3           2HB      ASN   3  -5.519   4.145  -0.242
   12    HB3  ASN   3           1HB      ASN   3  -4.989   5.186  -1.568
   13   HD21  ASN   3          1HD2      ASN   3  -6.694   2.383  -0.998
   14   HD22  ASN   3          2HD2      ASN   3  -6.435   1.593  -2.477
   15    H    CYS   4           H        CYS   4  -2.867   4.128   1.838
   16    HA   CYS   4           HA       CYS   4  -2.023   1.471   2.354
   17    HB2  CYS   4           2HB      CYS   4  -3.163   3.759   3.938
   18    HB3  CYS   4           1HB      CYS   4  -2.885   2.209   4.740
   19    H    SER   5           H        SER   5  -5.181   2.663   1.672
   20    HA   SER   5           HA       SER   5  -6.775   0.827   3.198
   21    HB2  SER   5           2HB      SER   5  -7.234   2.984   1.653
   22    HB3  SER   5           1HB      SER   5  -7.625   1.727   0.484
   23    HG   SER   5           HG       SER   5  -9.453   2.269   1.695
   24    H    SER   6           H        SER   6  -4.716   0.371   0.484
   25    HA   SER   6           HA       SER   6  -6.023  -2.252  -0.159
   26    HB2  SER   6           2HB      SER   6  -5.254  -0.094  -1.750
   27    HB3  SER   6           1HB      SER   6  -3.958  -1.270  -1.979
   28    HG   SER   6           HG       SER   6  -6.591  -1.339  -2.766
   29    H    LYS   7           H        LYS   7  -4.947  -3.989   0.626
   30    HA   LYS   7           HA       LYS   7  -2.524  -3.994   2.044
   31    HB2  LYS   7           2HB      LYS   7  -3.887  -6.094   0.333
   32    HB3  LYS   7           1HB      LYS   7  -2.573  -6.456   1.454
   33    HG2  LYS   7           2HG      LYS   7  -4.047  -5.231   3.216
   34    HG3  LYS   7           1HG      LYS   7  -5.359  -5.489   2.065
   35    HD2  LYS   7           2HD      LYS   7  -4.428  -7.966   2.045
   36    HD3  LYS   7           1HD      LYS   7  -3.782  -7.506   3.621
   37    HE2  LYS   7           2HE      LYS   7  -5.929  -8.369   4.143
   38    HE3  LYS   7           1HE      LYS   7  -6.209  -6.618   4.078
   39    HZ1  LYS   7           3HZ      LYS   7  -7.616  -8.318   2.623
   40    HZ2  LYS   7           1HZ      LYS   7  -6.322  -8.074   1.554
   41    HZ3  LYS   7           2HZ      LYS   7  -7.245  -6.749   2.084
   42    H    TRP   8           H        TRP   8  -3.065  -4.460  -1.450
   43    HA   TRP   8           HA       TRP   8  -0.482  -5.203  -2.279
   44    HB2  TRP   8           2HB      TRP   8  -2.322  -5.146  -3.817
   45    HB3  TRP   8           1HB      TRP   8  -2.626  -3.436  -3.489
   46    HD1  TRP   8           HD       TRP   8  -0.169  -5.757  -5.284
   47    HE1  TRP   8           1HE      TRP   8   1.186  -4.372  -6.985
   48    HE3  TRP   8           3HE      TRP   8  -1.790  -1.065  -4.090
   49    HZ2  TRP   8           2HZ      TRP   8   1.535  -1.636  -7.741
   50    HZ3  TRP   8           3HZ      TRP   8  -0.932   0.910  -5.315
   51    HH2  TRP   8           HH       TRP   8   0.726   0.632  -7.137
   52    H    CYS   9           H        CYS   9  -1.790  -1.868  -2.048
   53    HA   CYS   9           HA       CYS   9   0.468  -0.358  -2.651
   54    HB2  CYS   9           2HB      CYS   9  -1.638   0.663  -2.119
   55    HB3  CYS   9           1HB      CYS   9  -1.673  -0.079  -0.525
   56    H    ARG  10           H        ARG  10  -0.419  -1.592   0.571
   57    HA   ARG  10           HA       ARG  10   1.935  -0.827   1.957
   58    HB2  ARG  10           2HB      ARG  10  -0.098  -3.049   2.260
   59    HB3  ARG  10           1HB      ARG  10   1.131  -2.719   3.476
   60    HG2  ARG  10           2HG      ARG  10   0.094  -0.829   4.195
   61    HG3  ARG  10           1HG      ARG  10  -0.343  -0.338   2.559
   62    HD2  ARG  10           2HD      ARG  10  -2.425  -0.838   3.601
   63    HD3  ARG  10           1HD      ARG  10  -2.057  -2.298   2.662
   64    HE   ARG  10           HE       ARG  10  -0.817  -2.624   5.175
   65   HH11  ARG  10          1HH2      ARG  10  -3.976  -2.231   3.832
   66   HH12  ARG  10          2HH2      ARG  10  -4.759  -3.142   5.079
   67   HH21  ARG  10          1HH1      ARG  10  -1.833  -3.810   6.809
   68   HH22  ARG  10          2HH1      ARG  10  -3.548  -4.037   6.759
   69    H    ASP  11           H        ASP  11   1.233  -3.675  -0.037
   70    HA   ASP  11           HA       ASP  11   3.868  -4.871   0.651
   71    HB2  ASP  11           2HB      ASP  11   1.284  -5.815   0.086
   72    HB3  ASP  11           1HB      ASP  11   2.246  -6.257  -1.325
   73    H    HIS  12           H        HIS  12   2.936  -2.523  -1.407
   74    HA   HIS  12           HA       HIS  12   4.912  -3.387  -3.489
   75    HB2  HIS  12           2HB      HIS  12   2.087  -2.375  -3.733
   76    HB3  HIS  12           1HB      HIS  12   3.240  -2.082  -5.040
   77    HD1  HIS  12           1HD      HIS  12   3.664  -3.986  -6.622
   78    HD2  HIS  12           2HD      HIS  12   1.808  -5.262  -3.116
   79    HE1  HIS  12           1HE      HIS  12   3.117  -6.437  -6.953
   80    H    SER  13           H        SER  13   4.856  -1.452  -1.080
   81    HA   SER  13           HA       SER  13   6.503   0.603  -2.171
   82    HB2  SER  13           2HB      SER  13   4.538   2.386  -1.725
   83    HB3  SER  13           1HB      SER  13   4.770   1.623  -3.299
   84    HG   SER  13           HG       SER  13   3.035   0.432  -2.985
   85    H    ARG  14           H        ARG  14   7.426   1.795  -0.473
   86    HA   ARG  14           HA       ARG  14   6.887   0.898   2.245
   87    HB2  ARG  14           2HB      ARG  14   8.695   2.891   0.881
   88    HB3  ARG  14           1HB      ARG  14   8.637   2.788   2.640
   89    HG2  ARG  14           2HG      ARG  14   9.782   0.833   2.676
   90    HG3  ARG  14           1HG      ARG  14   8.855   0.169   1.330
   91    HD2  ARG  14           2HD      ARG  14  11.270   0.477   0.746
   92    HD3  ARG  14           1HD      ARG  14  10.216   1.487  -0.265
   93    HE   ARG  14           HE       ARG  14  10.743   3.094   1.924
   94   HH11  ARG  14          1HH2      ARG  14  12.641   1.299  -0.335
   95   HH12  ARG  14          2HH2      ARG  14  13.985   2.388  -0.267
   96   HH21  ARG  14          1HH1      ARG  14  12.494   4.519   2.021
   97   HH22  ARG  14          2HH1      ARG  14  13.903   4.204   1.064
   98    H    CYS  15           H        CYS  15   5.212   3.020   0.335
   99    HA   CYS  15           HA       CYS  15   4.801   5.419   1.636
  100    HB2  CYS  15           2HB      CYS  15   3.470   3.777  -0.210
  101    HB3  CYS  15           1HB      CYS  15   2.268   4.115   1.036
  102    H    CYS  16           H        CYS  16   2.818   2.525   2.417
  103    HA   CYS  16           HA       CYS  16   1.695   3.569   4.812
  104    HB2  CYS  16           2HB      CYS  16   1.572   1.262   3.248
  105    HB3  CYS  16           1HB      CYS  16   2.162   0.681   4.809
  106    HN1  NH2  17           1H       CYS  16   2.288   1.778   6.890
  107    HN2  NH2  17           2H       CYS  16   3.901   1.967   7.385
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   2.678   8.876  -3.310
    2    HA   CYS   1           HA       CYS   1   2.794   6.415  -4.398
    3    HB2  CYS   1           2HB      CYS   1   2.769   5.526  -2.029
    4    HB3  CYS   1           1HB      CYS   1   3.782   6.956  -2.249
    5    H    CYS   2           H        CYS   2   1.451   4.431  -3.041
    6    HA   CYS   2           HA       CYS   2  -1.247   4.597  -4.233
    7    HB2  CYS   2           2HB      CYS   2  -1.263   2.173  -3.589
    8    HB3  CYS   2           1HB      CYS   2   0.136   2.613  -4.571
    9    H    ASN   3           H        ASN   3  -2.964   3.342  -2.717
   10    HA   ASN   3           HA       ASN   3  -3.126   4.965  -0.231
   11    HB2  ASN   3           2HB      ASN   3  -5.497   4.157  -0.309
   12    HB3  ASN   3           1HB      ASN   3  -5.003   4.971  -1.797
   13   HD21  ASN   3          1HD2      ASN   3  -7.010   2.667  -1.211
   14   HD22  ASN   3          2HD2      ASN   3  -6.583   1.475  -2.340
   15    H    CYS   4           H        CYS   4  -3.004   4.044   1.797
   16    HA   CYS   4           HA       CYS   4  -1.936   1.397   2.144
   17    HB2  CYS   4           2HB      CYS   4  -3.092   3.563   3.895
   18    HB3  CYS   4           1HB      CYS   4  -2.616   2.011   4.594
   19    H    SER   5           H        SER   5  -5.125   2.483   1.594
   20    HA   SER   5           HA       SER   5  -6.608   0.589   3.185
   21    HB2  SER   5           2HB      SER   5  -7.248   2.053   0.606
   22    HB3  SER   5           1HB      SER   5  -8.437   1.268   1.642
   23    HG   SER   5           HG       SER   5  -6.632   3.177   2.668
   24    H    SER   6           H        SER   6  -4.571   0.109   0.525
   25    HA   SER   6           HA       SER   6  -6.043  -2.379  -0.281
   26    HB2  SER   6           2HB      SER   6  -4.602  -0.227  -1.681
   27    HB3  SER   6           1HB      SER   6  -4.163  -1.846  -2.226
   28    HG   SER   6           HG       SER   6  -6.566  -2.165  -2.243
   29    H    LYS   7           H        LYS   7  -5.088  -4.175   0.601
   30    HA   LYS   7           HA       LYS   7  -2.696  -4.406   1.988
   31    HB2  LYS   7           2HB      LYS   7  -4.253  -6.271   0.200
   32    HB3  LYS   7           1HB      LYS   7  -2.789  -6.830   1.008
   33    HG2  LYS   7           2HG      LYS   7  -4.536  -5.366   2.827
   34    HG3  LYS   7           1HG      LYS   7  -5.350  -6.761   2.115
   35    HD2  LYS   7           2HD      LYS   7  -2.624  -7.422   2.873
   36    HD3  LYS   7           1HD      LYS   7  -3.535  -6.803   4.251
   37    HE2  LYS   7           2HE      LYS   7  -4.511  -9.018   2.412
   38    HE3  LYS   7           1HE      LYS   7  -3.792  -9.273   4.015
   39    HZ1  LYS   7           3HZ      LYS   7  -5.980  -9.070   4.592
   40    HZ2  LYS   7           1HZ      LYS   7  -6.350  -8.029   3.305
   41    HZ3  LYS   7           2HZ      LYS   7  -5.522  -7.435   4.665
   42    H    TRP   8           H        TRP   8  -3.145  -4.643  -1.544
   43    HA   TRP   8           HA       TRP   8  -0.506  -5.373  -2.277
   44    HB2  TRP   8           2HB      TRP   8  -2.267  -5.359  -3.900
   45    HB3  TRP   8           1HB      TRP   8  -2.660  -3.669  -3.559
   46    HD1  TRP   8           HD       TRP   8  -0.169  -5.867  -5.411
   47    HE1  TRP   8           1HE      TRP   8   1.246  -4.394  -6.984
   48    HE3  TRP   8           3HE      TRP   8  -1.704  -1.234  -3.903
   49    HZ2  TRP   8           2HZ      TRP   8   1.672  -1.619  -7.529
   50    HZ3  TRP   8           3HZ      TRP   8  -0.777   0.804  -4.965
   51    HH2  TRP   8           HH       TRP   8   0.908   0.618  -6.774
   52    H    CYS   9           H        CYS   9  -1.916  -2.083  -2.078
   53    HA   CYS   9           HA       CYS   9   0.309  -0.500  -2.592
   54    HB2  CYS   9           2HB      CYS   9  -1.930   0.350  -2.115
   55    HB3  CYS   9           1HB      CYS   9  -1.837  -0.242  -0.459
   56    H    ARG  10           H        ARG  10  -0.649  -1.751   0.612
   57    HA   ARG  10           HA       ARG  10   1.643  -0.886   2.062
   58    HB2  ARG  10           2HB      ARG  10  -0.421  -3.063   2.303
   59    HB3  ARG  10           1HB      ARG  10   0.861  -2.925   3.499
   60    HG2  ARG  10           2HG      ARG  10   0.209  -0.657   4.044
   61    HG3  ARG  10           1HG      ARG  10  -0.962  -0.634   2.726
   62    HD2  ARG  10           2HD      ARG  10  -1.207  -2.792   4.800
   63    HD3  ARG  10           1HD      ARG  10  -1.775  -1.157   5.194
   64    HE   ARG  10           HE       ARG  10  -2.715  -1.781   2.591
   65   HH11  ARG  10          1HH2      ARG  10  -3.075  -2.790   5.874
   66   HH12  ARG  10          2HH2      ARG  10  -4.705  -3.334   5.663
   67   HH21  ARG  10          1HH1      ARG  10  -4.843  -2.488   2.306
   68   HH22  ARG  10          2HH1      ARG  10  -5.704  -3.163   3.649
   69    H    ASP  11           H        ASP  11   1.083  -3.708   0.020
   70    HA   ASP  11           HA       ASP  11   3.699  -4.867   0.820
   71    HB2  ASP  11           2HB      ASP  11   1.192  -5.783  -0.539
   72    HB3  ASP  11           1HB      ASP  11   2.683  -6.674  -0.840
   73    H    HIS  12           H        HIS  12   2.645  -2.645  -1.418
   74    HA   HIS  12           HA       HIS  12   4.828  -3.418  -3.320
   75    HB2  HIS  12           2HB      HIS  12   1.920  -2.897  -3.755
   76    HB3  HIS  12           1HB      HIS  12   3.041  -2.316  -4.991
   77    HD1  HIS  12           1HD      HIS  12   4.287  -4.074  -6.399
   78    HD2  HIS  12           2HD      HIS  12   1.862  -5.753  -3.454
   79    HE1  HIS  12           1HE      HIS  12   4.179  -6.556  -6.890
   80    H    SER  13           H        SER  13   4.764  -1.406  -1.121
   81    HA   SER  13           HA       SER  13   5.791   0.865  -2.646
   82    HB2  SER  13           2HB      SER  13   4.083   2.447  -2.003
   83    HB3  SER  13           1HB      SER  13   3.262   1.061  -2.716
   84    HG   SER  13           HG       SER  13   3.486   1.835  -0.020
   85    H    ARG  14           H        ARG  14   5.983   2.798  -0.884
   86    HA   ARG  14           HA       ARG  14   6.923   1.586   1.692
   87    HB2  ARG  14           2HB      ARG  14   8.863   3.095   1.516
   88    HB3  ARG  14           1HB      ARG  14   8.759   2.076   0.080
   89    HG2  ARG  14           2HG      ARG  14   7.241   4.599  -0.110
   90    HG3  ARG  14           1HG      ARG  14   8.990   4.805   0.016
   91    HD2  ARG  14           2HD      ARG  14   7.651   2.934  -1.969
   92    HD3  ARG  14           1HD      ARG  14   8.219   4.569  -2.363
   93    HE   ARG  14           HE       ARG  14   9.922   2.250  -1.907
   94   HH11  ARG  14          1HH2      ARG  14   9.598   5.677  -1.631
   95   HH12  ARG  14          2HH2      ARG  14  11.303   5.971  -1.691
   96   HH21  ARG  14          1HH1      ARG  14  12.146   2.624  -1.986
   97   HH22  ARG  14          2HH1      ARG  14  12.743   4.247  -1.893
   98    H    CYS  15           H        CYS  15   4.678   3.552   0.358
   99    HA   CYS  15           HA       CYS  15   4.880   5.988   1.885
  100    HB2  CYS  15           2HB      CYS  15   3.406   5.055  -0.196
  101    HB3  CYS  15           1HB      CYS  15   2.221   4.918   1.103
  102    H    CYS  16           H        CYS  16   3.275   2.868   2.496
  103    HA   CYS  16           HA       CYS  16   1.985   3.775   4.952
  104    HB2  CYS  16           2HB      CYS  16   1.806   1.650   3.146
  105    HB3  CYS  16           1HB      CYS  16   2.392   0.900   4.634
  106    HN1  NH2  17           1H       CYS  16   3.515   4.427   6.558
  107    HN2  NH2  17           2H       CYS  16   4.749   3.419   7.143
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   3.001   8.119  -4.895
    2    HA   CYS   1           HA       CYS   1   2.832   5.869  -4.190
    3    HB2  CYS   1           2HB      CYS   1   2.610   7.677  -1.974
    4    HB3  CYS   1           1HB      CYS   1   1.550   6.296  -1.670
    5    H    CYS   2           H        CYS   2   0.801   4.728  -2.493
    6    HA   CYS   2           HA       CYS   2  -1.669   5.169  -4.142
    7    HB2  CYS   2           2HB      CYS   2  -1.929   2.631  -3.829
    8    HB3  CYS   2           1HB      CYS   2  -0.634   3.157  -4.911
    9    H    ASN   3           H        ASN   3  -3.466   3.642  -2.864
   10    HA   ASN   3           HA       ASN   3  -3.768   4.972  -0.248
   11    HB2  ASN   3           2HB      ASN   3  -6.025   4.059  -0.406
   12    HB3  ASN   3           1HB      ASN   3  -5.576   4.725  -1.979
   13   HD21  ASN   3          1HD2      ASN   3  -7.391   2.337  -1.088
   14   HD22  ASN   3          2HD2      ASN   3  -6.868   1.065  -2.084
   15    H    CYS   4           H        CYS   4  -3.054   4.041   1.587
   16    HA   CYS   4           HA       CYS   4  -1.901   1.451   1.797
   17    HB2  CYS   4           2HB      CYS   4  -3.143   3.341   3.815
   18    HB3  CYS   4           1HB      CYS   4  -2.121   1.967   4.253
   19    H    SER   5           H        SER   5  -5.224   2.469   1.875
   20    HA   SER   5           HA       SER   5  -6.436   0.474   3.469
   21    HB2  SER   5           2HB      SER   5  -7.432   1.685   0.872
   22    HB3  SER   5           1HB      SER   5  -8.427   1.038   2.172
   23    HG   SER   5           HG       SER   5  -6.932   3.403   2.040
   24    H    SER   6           H        SER   6  -4.777   0.137   0.461
   25    HA   SER   6           HA       SER   6  -6.074  -2.506  -0.068
   26    HB2  SER   6           2HB      SER   6  -4.798  -0.342  -1.633
   27    HB3  SER   6           1HB      SER   6  -4.431  -1.977  -2.184
   28    HG   SER   6           HG       SER   6  -6.503  -2.301  -2.645
   29    H    LYS   7           H        LYS   7  -4.971  -4.233   0.753
   30    HA   LYS   7           HA       LYS   7  -2.529  -4.388   2.006
   31    HB2  LYS   7           2HB      LYS   7  -4.075  -6.238   1.829
   32    HB3  LYS   7           1HB      LYS   7  -3.877  -6.300   0.077
   33    HG2  LYS   7           2HG      LYS   7  -1.730  -7.215   0.220
   34    HG3  LYS   7           1HG      LYS   7  -1.488  -6.633   1.870
   35    HD2  LYS   7           2HD      LYS   7  -3.037  -8.245   2.750
   36    HD3  LYS   7           1HD      LYS   7  -3.556  -8.714   1.133
   37    HE2  LYS   7           2HE      LYS   7  -0.649  -8.953   1.513
   38    HE3  LYS   7           1HE      LYS   7  -1.596 -10.020   2.569
   39    HZ1  LYS   7           3HZ      LYS   7  -1.092 -10.703   0.101
   40    HZ2  LYS   7           1HZ      LYS   7  -2.430  -9.712  -0.224
   41    HZ3  LYS   7           2HZ      LYS   7  -2.596 -11.049   0.810
   42    H    TRP   8           H        TRP   8  -3.048  -4.702  -1.515
   43    HA   TRP   8           HA       TRP   8  -0.429  -5.194  -2.384
   44    HB2  TRP   8           2HB      TRP   8  -2.284  -5.213  -3.901
   45    HB3  TRP   8           1HB      TRP   8  -2.722  -3.552  -3.491
   46    HD1  TRP   8           HD       TRP   8  -0.265  -5.596  -5.551
   47    HE1  TRP   8           1HE      TRP   8   0.988  -4.027  -7.167
   48    HE3  TRP   8           3HE      TRP   8  -1.890  -1.073  -3.825
   49    HZ2  TRP   8           2HZ      TRP   8   1.264  -1.223  -7.662
   50    HZ3  TRP   8           3HZ      TRP   8  -1.116   1.030  -4.887
   51    HH2  TRP   8           HH       TRP   8   0.457   0.960  -6.801
   52    H    CYS   9           H        CYS   9  -1.974  -1.975  -2.058
   53    HA   CYS   9           HA       CYS   9   0.193  -0.305  -2.590
   54    HB2  CYS   9           2HB      CYS   9  -2.187   0.299  -2.055
   55    HB3  CYS   9           1HB      CYS   9  -1.844  -0.022  -0.356
   56    H    ARG  10           H        ARG  10  -0.661  -1.785   0.536
   57    HA   ARG  10           HA       ARG  10   1.525  -0.714   2.040
   58    HB2  ARG  10           2HB      ARG  10  -0.257  -3.150   2.291
   59    HB3  ARG  10           1HB      ARG  10   0.840  -2.623   3.562
   60    HG2  ARG  10           2HG      ARG  10  -0.424  -0.778   4.085
   61    HG3  ARG  10           1HG      ARG  10  -0.968  -0.554   2.422
   62    HD2  ARG  10           2HD      ARG  10  -2.738  -1.366   4.131
   63    HD3  ARG  10           1HD      ARG  10  -2.607  -2.293   2.624
   64    HE   ARG  10           HE       ARG  10  -0.760  -3.323   4.576
   65   HH11  ARG  10          1HH2      ARG  10  -4.106  -3.165   3.736
   66   HH12  ARG  10          2HH2      ARG  10  -4.497  -4.676   4.484
   67   HH21  ARG  10          1HH1      ARG  10  -1.258  -5.292   5.553
   68   HH22  ARG  10          2HH1      ARG  10  -2.886  -5.882   5.509
   69    H    ASP  11           H        ASP  11   1.243  -3.530  -0.074
   70    HA   ASP  11           HA       ASP  11   3.903  -4.532   0.828
   71    HB2  ASP  11           2HB      ASP  11   1.961  -5.707  -1.177
   72    HB3  ASP  11           1HB      ASP  11   3.237  -6.550  -0.297
   73    H    HIS  12           H        HIS  12   2.399  -2.834  -1.828
   74    HA   HIS  12           HA       HIS  12   4.743  -3.330  -3.600
   75    HB2  HIS  12           2HB      HIS  12   1.955  -2.213  -3.902
   76    HB3  HIS  12           1HB      HIS  12   3.163  -1.984  -5.173
   77    HD1  HIS  12           1HD      HIS  12   3.286  -3.832  -6.836
   78    HD2  HIS  12           2HD      HIS  12   1.746  -5.154  -3.194
   79    HE1  HIS  12           1HE      HIS  12   2.674  -6.269  -7.160
   80    H    SER  13           H        SER  13   4.217  -1.313  -1.128
   81    HA   SER  13           HA       SER  13   5.850   0.847  -2.344
   82    HB2  SER  13           2HB      SER  13   3.424   1.544  -0.717
   83    HB3  SER  13           1HB      SER  13   4.256   2.501  -1.942
   84    HG   SER  13           HG       SER  13   2.468   0.347  -2.244
   85    H    ARG  14           H        ARG  14   6.664   2.345  -0.575
   86    HA   ARG  14           HA       ARG  14   6.889   0.875   2.031
   87    HB2  ARG  14           2HB      ARG  14   9.173   1.670   2.114
   88    HB3  ARG  14           1HB      ARG  14   8.913   0.972   0.516
   89    HG2  ARG  14           2HG      ARG  14   9.757   2.940  -0.244
   90    HG3  ARG  14           1HG      ARG  14   8.146   3.570   0.103
   91    HD2  ARG  14           2HD      ARG  14   8.832   4.441   2.221
   92    HD3  ARG  14           1HD      ARG  14  10.349   3.519   2.187
   93    HE   ARG  14           HE       ARG  14  10.220   5.141  -0.156
   94   HH11  ARG  14          1HH2      ARG  14  10.554   5.346   3.276
   95   HH12  ARG  14          2HH2      ARG  14  11.474   6.812   3.226
   96   HH21  ARG  14          1HH1      ARG  14  11.424   7.047  -0.230
   97   HH22  ARG  14          2HH1      ARG  14  11.972   7.771   1.245
   98    H    CYS  15           H        CYS  15   5.346   3.418   0.722
   99    HA   CYS  15           HA       CYS  15   6.008   5.440   2.782
  100    HB2  CYS  15           2HB      CYS  15   4.439   6.796   1.426
  101    HB3  CYS  15           1HB      CYS  15   5.666   6.044   0.409
  102    H    CYS  16           H        CYS  16   3.805   2.849   2.306
  103    HA   CYS  16           HA       CYS  16   1.589   3.956   3.867
  104    HB2  CYS  16           2HB      CYS  16   2.341   1.449   2.450
  105    HB3  CYS  16           1HB      CYS  16   1.174   1.278   3.766
  106    HN1  NH2  17           1H       CYS  16   3.118   0.818   4.606
  107    HN2  NH2  17           2H       CYS  16   3.402   1.142   6.248
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   0.580   8.696  -2.430
    2    HA   CYS   1           HA       CYS   1   2.194   7.202  -4.387
    3    HB2  CYS   1           2HB      CYS   1   3.089   5.648  -2.741
    4    HB3  CYS   1           1HB      CYS   1   3.521   7.289  -2.250
    5    H    CYS   2           H        CYS   2   1.475   4.620  -3.288
    6    HA   CYS   2           HA       CYS   2  -1.178   4.318  -4.344
    7    HB2  CYS   2           2HB      CYS   2  -0.895   2.009  -3.404
    8    HB3  CYS   2           1HB      CYS   2   0.506   2.546  -4.339
    9    H    ASN   3           H        ASN   3  -2.777   2.955  -2.757
   10    HA   ASN   3           HA       ASN   3  -3.243   4.739  -0.398
   11    HB2  ASN   3           2HB      ASN   3  -5.566   4.198  -0.724
   12    HB3  ASN   3           1HB      ASN   3  -4.899   4.541  -2.323
   13   HD21  ASN   3          1HD2      ASN   3  -7.026   2.492  -1.011
   14   HD22  ASN   3          2HD2      ASN   3  -6.698   1.073  -1.883
   15    H    CYS   4           H        CYS   4  -2.807   3.828   1.557
   16    HA   CYS   4           HA       CYS   4  -1.965   1.184   2.032
   17    HB2  CYS   4           2HB      CYS   4  -3.304   3.300   3.730
   18    HB3  CYS   4           1HB      CYS   4  -2.678   1.799   4.421
   19    H    SER   5           H        SER   5  -5.237   2.510   1.880
   20    HA   SER   5           HA       SER   5  -6.810   0.617   3.157
   21    HB2  SER   5           2HB      SER   5  -7.071   2.624   1.188
   22    HB3  SER   5           1HB      SER   5  -7.843   1.194   0.509
   23    HG   SER   5           HG       SER   5  -9.408   2.053   1.729
   24    H    SER   6           H        SER   6  -4.961   0.199   0.186
   25    HA   SER   6           HA       SER   6  -6.138  -2.512  -0.222
   26    HB2  SER   6           2HB      SER   6  -5.514  -0.430  -1.916
   27    HB3  SER   6           1HB      SER   6  -4.111  -1.485  -2.091
   28    HG   SER   6           HG       SER   6  -5.374  -3.061  -2.850
   29    H    LYS   7           H        LYS   7  -5.000  -4.254   0.506
   30    HA   LYS   7           HA       LYS   7  -2.592  -4.216   1.934
   31    HB2  LYS   7           2HB      LYS   7  -4.078  -6.138   1.849
   32    HB3  LYS   7           1HB      LYS   7  -3.813  -6.320   0.115
   33    HG2  LYS   7           2HG      LYS   7  -1.241  -6.336   1.190
   34    HG3  LYS   7           1HG      LYS   7  -2.189  -7.277   2.340
   35    HD2  LYS   7           2HD      LYS   7  -3.127  -8.544   0.335
   36    HD3  LYS   7           1HD      LYS   7  -1.877  -7.758  -0.630
   37    HE2  LYS   7           2HE      LYS   7  -0.336  -9.250   0.096
   38    HE3  LYS   7           1HE      LYS   7  -0.710  -8.853   1.786
   39    HZ1  LYS   7           3HZ      LYS   7  -2.525 -10.517   0.147
   40    HZ2  LYS   7           1HZ      LYS   7  -2.465 -10.371   1.835
   41    HZ3  LYS   7           2HZ      LYS   7  -1.237 -11.208   1.012
   42    H    TRP   8           H        TRP   8  -3.114  -4.295  -1.553
   43    HA   TRP   8           HA       TRP   8  -0.530  -4.994  -2.465
   44    HB2  TRP   8           2HB      TRP   8  -2.461  -4.772  -3.923
   45    HB3  TRP   8           1HB      TRP   8  -2.631  -3.064  -3.505
   46    HD1  TRP   8           HD       TRP   8  -0.398  -5.467  -5.473
   47    HE1  TRP   8           1HE      TRP   8   1.011  -4.101  -7.146
   48    HE3  TRP   8           3HE      TRP   8  -1.627  -0.728  -4.011
   49    HZ2  TRP   8           2HZ      TRP   8   1.550  -1.371  -7.779
   50    HZ3  TRP   8           3HZ      TRP   8  -0.650   1.234  -5.166
   51    HH2  TRP   8           HH       TRP   8   0.936   0.920  -7.046
   52    H    CYS   9           H        CYS   9  -1.852  -1.709  -1.891
   53    HA   CYS   9           HA       CYS   9   0.463  -0.189  -2.365
   54    HB2  CYS   9           2HB      CYS   9  -1.753   0.734  -1.927
   55    HB3  CYS   9           1HB      CYS   9  -1.735   0.093  -0.289
   56    H    ARG  10           H        ARG  10  -0.621  -1.541   0.753
   57    HA   ARG  10           HA       ARG  10   1.646  -0.776   2.295
   58    HB2  ARG  10           2HB      ARG  10  -0.382  -3.019   2.474
   59    HB3  ARG  10           1HB      ARG  10   0.739  -2.627   3.773
   60    HG2  ARG  10           2HG      ARG  10  -0.371  -0.713   4.338
   61    HG3  ARG  10           1HG      ARG  10  -0.774  -0.336   2.663
   62    HD2  ARG  10           2HD      ARG  10  -2.765  -0.972   4.130
   63    HD3  ARG  10           1HD      ARG  10  -2.582  -1.958   2.666
   64    HE   ARG  10           HE       ARG  10  -1.110  -3.018   4.955
   65   HH11  ARG  10          1HH2      ARG  10  -4.121  -2.863   3.269
   66   HH12  ARG  10          2HH2      ARG  10  -4.689  -4.380   3.881
   67   HH21  ARG  10          1HH1      ARG  10  -1.843  -4.998   5.757
   68   HH22  ARG  10          2HH1      ARG  10  -3.401  -5.587   5.283
   69    H    ASP  11           H        ASP  11   1.111  -3.567   0.177
   70    HA   ASP  11           HA       ASP  11   3.651  -4.810   1.116
   71    HB2  ASP  11           2HB      ASP  11   1.101  -5.699   0.281
   72    HB3  ASP  11           1HB      ASP  11   2.239  -6.238  -0.954
   73    H    HIS  12           H        HIS  12   2.511  -2.841  -1.486
   74    HA   HIS  12           HA       HIS  12   4.730  -3.778  -3.260
   75    HB2  HIS  12           2HB      HIS  12   2.090  -2.404  -3.603
   76    HB3  HIS  12           1HB      HIS  12   3.349  -2.094  -4.803
   77    HD1  HIS  12           1HD      HIS  12   3.242  -3.686  -6.706
   78    HD2  HIS  12           2HD      HIS  12   1.968  -5.468  -3.159
   79    HE1  HIS  12           1HE      HIS  12   2.613  -6.070  -7.288
   80    H    SER  13           H        SER  13   3.318  -0.769  -1.926
   81    HA   SER  13           HA       SER  13   5.718   0.753  -2.774
   82    HB2  SER  13           2HB      SER  13   3.227   1.617  -1.279
   83    HB3  SER  13           1HB      SER  13   4.368   2.665  -2.123
   84    HG   SER  13           HG       SER  13   3.722   1.771  -4.055
   85    H    ARG  14           H        ARG  14   6.425   2.427  -0.974
   86    HA   ARG  14           HA       ARG  14   6.746   0.953   1.620
   87    HB2  ARG  14           2HB      ARG  14   9.038   1.819   1.636
   88    HB3  ARG  14           1HB      ARG  14   8.746   0.967   0.118
   89    HG2  ARG  14           2HG      ARG  14   9.081   2.840  -1.090
   90    HG3  ARG  14           1HG      ARG  14   7.975   3.767  -0.074
   91    HD2  ARG  14           2HD      ARG  14  10.585   3.092   1.173
   92    HD3  ARG  14           1HD      ARG  14  10.641   4.265  -0.157
   93    HE   ARG  14           HE       ARG  14   8.487   5.129   1.319
   94   HH11  ARG  14          1HH2      ARG  14  11.753   4.280   2.057
   95   HH12  ARG  14          2HH2      ARG  14  11.875   5.385   3.385
   96   HH21  ARG  14          1HH1      ARG  14   8.638   6.572   3.051
   97   HH22  ARG  14          2HH1      ARG  14  10.116   6.680   3.947
   98    H    CYS  15           H        CYS  15   5.124   3.437   0.369
   99    HA   CYS  15           HA       CYS  15   5.928   5.593   2.201
  100    HB2  CYS  15           2HB      CYS  15   4.162   6.796   1.023
  101    HB3  CYS  15           1HB      CYS  15   5.118   5.900  -0.155
  102    H    CYS  16           H        CYS  16   3.723   2.914   2.195
  103    HA   CYS  16           HA       CYS  16   1.783   3.999   4.061
  104    HB2  CYS  16           2HB      CYS  16   1.641   2.029   2.382
  105    HB3  CYS  16           1HB      CYS  16   2.466   1.087   3.629
  106    HN1  NH2  17           1H       CYS  16   4.909   2.358   4.420
  107    HN2  NH2  17           2H       CYS  16   4.915   2.340   6.118
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   2.828   8.046  -5.206
    2    HA   CYS   1           HA       CYS   1   3.017   6.430  -3.445
    3    HB2  CYS   1           2HB      CYS   1   1.734   8.792  -2.098
    4    HB3  CYS   1           1HB      CYS   1   1.746   7.231  -1.269
    5    H    CYS   2           H        CYS   2   1.275   5.119  -2.071
    6    HA   CYS   2           HA       CYS   2  -1.273   5.043  -3.658
    7    HB2  CYS   2           2HB      CYS   2  -1.119   2.545  -3.143
    8    HB3  CYS   2           1HB      CYS   2   0.114   3.168  -4.245
    9    H    ASN   3           H        ASN   3  -3.057   3.884  -2.366
   10    HA   ASN   3           HA       ASN   3  -3.211   5.087   0.318
   11    HB2  ASN   3           2HB      ASN   3  -5.541   4.152   0.161
   12    HB3  ASN   3           1HB      ASN   3  -5.108   5.176  -1.212
   13   HD21  ASN   3          1HD2      ASN   3  -6.952   2.668  -0.877
   14   HD22  ASN   3          2HD2      ASN   3  -6.481   1.670  -2.167
   15    H    CYS   4           H        CYS   4  -3.296   3.925   2.251
   16    HA   CYS   4           HA       CYS   4  -1.915   1.400   2.392
   17    HB2  CYS   4           2HB      CYS   4  -3.503   3.163   4.257
   18    HB3  CYS   4           1HB      CYS   4  -2.832   1.626   4.817
   19    H    SER   5           H        SER   5  -5.343   2.326   2.519
   20    HA   SER   5           HA       SER   5  -6.623   0.048   3.414
   21    HB2  SER   5           2HB      SER   5  -7.140   2.259   1.591
   22    HB3  SER   5           1HB      SER   5  -8.018   0.813   1.103
   23    HG   SER   5           HG       SER   5  -8.457   0.756   3.544
   24    H    SER   6           H        SER   6  -4.922   0.440   0.339
   25    HA   SER   6           HA       SER   6  -5.866  -2.156  -0.693
   26    HB2  SER   6           2HB      SER   6  -4.422   0.235  -1.610
   27    HB3  SER   6           1HB      SER   6  -3.812  -1.266  -2.304
   28    HG   SER   6           HG       SER   6  -6.045  -1.746  -2.815
   29    H    LYS   7           H        LYS   7  -4.948  -3.959   0.212
   30    HA   LYS   7           HA       LYS   7  -2.622  -4.206   1.729
   31    HB2  LYS   7           2HB      LYS   7  -3.989  -6.051  -0.247
   32    HB3  LYS   7           1HB      LYS   7  -2.671  -6.597   0.791
   33    HG2  LYS   7           2HG      LYS   7  -5.144  -5.236   1.879
   34    HG3  LYS   7           1HG      LYS   7  -5.021  -6.987   1.703
   35    HD2  LYS   7           2HD      LYS   7  -3.245  -5.194   3.381
   36    HD3  LYS   7           1HD      LYS   7  -4.368  -6.422   3.964
   37    HE2  LYS   7           2HE      LYS   7  -2.969  -8.086   2.532
   38    HE3  LYS   7           1HE      LYS   7  -1.732  -6.812   2.549
   39    HZ1  LYS   7           3HZ      LYS   7  -3.117  -7.782   4.988
   40    HZ2  LYS   7           1HZ      LYS   7  -1.773  -6.751   4.908
   41    HZ3  LYS   7           2HZ      LYS   7  -1.615  -8.385   4.469
   42    H    TRP   8           H        TRP   8  -2.924  -4.323  -1.824
   43    HA   TRP   8           HA       TRP   8  -0.301  -5.043  -2.529
   44    HB2  TRP   8           2HB      TRP   8  -1.997  -4.814  -4.196
   45    HB3  TRP   8           1HB      TRP   8  -2.339  -3.147  -3.719
   46    HD1  TRP   8           HD       TRP   8   0.104  -5.268  -5.712
   47    HE1  TRP   8           1HE      TRP   8   1.629  -3.717  -7.098
   48    HE3  TRP   8           3HE      TRP   8  -1.250  -0.741  -3.779
   49    HZ2  TRP   8           2HZ      TRP   8   2.200  -0.923  -7.348
   50    HZ3  TRP   8           3HZ      TRP   8  -0.199   1.340  -4.608
   51    HH2  TRP   8           HH       TRP   8   1.520   1.258  -6.387
   52    H    CYS   9           H        CYS   9  -1.553  -1.704  -2.114
   53    HA   CYS   9           HA       CYS   9   0.780  -0.220  -2.413
   54    HB2  CYS   9           2HB      CYS   9  -1.440   0.708  -1.965
   55    HB3  CYS   9           1HB      CYS   9  -1.432   0.017  -0.346
   56    H    ARG  10           H        ARG  10  -0.373  -1.723   0.604
   57    HA   ARG  10           HA       ARG  10   1.875  -1.037   2.225
   58    HB2  ARG  10           2HB      ARG  10  -0.308  -3.116   2.264
   59    HB3  ARG  10           1HB      ARG  10   0.889  -3.035   3.552
   60    HG2  ARG  10           2HG      ARG  10   0.248  -0.814   4.148
   61    HG3  ARG  10           1HG      ARG  10  -0.706  -0.622   2.677
   62    HD2  ARG  10           2HD      ARG  10  -2.215  -1.061   4.565
   63    HD3  ARG  10           1HD      ARG  10  -2.213  -2.474   3.490
   64    HE   ARG  10           HE       ARG  10  -1.044  -3.691   5.155
   65   HH11  ARG  10          1HH2      ARG  10  -1.045  -0.293   5.780
   66   HH12  ARG  10          2HH2      ARG  10  -0.354  -0.455   7.359
   67   HH21  ARG  10          1HH1      ARG  10  -0.142  -3.911   7.210
   68   HH22  ARG  10          2HH1      ARG  10   0.157  -2.500   8.168
   69    H    ASP  11           H        ASP  11   1.213  -3.920   0.217
   70    HA   ASP  11           HA       ASP  11   3.699  -5.230   1.108
   71    HB2  ASP  11           2HB      ASP  11   1.205  -5.962   0.027
   72    HB3  ASP  11           1HB      ASP  11   2.389  -6.374  -1.214
   73    H    HIS  12           H        HIS  12   2.546  -3.428  -1.706
   74    HA   HIS  12           HA       HIS  12   4.997  -4.028  -3.250
   75    HB2  HIS  12           2HB      HIS  12   2.319  -2.775  -3.660
   76    HB3  HIS  12           1HB      HIS  12   3.619  -2.272  -4.745
   77    HD1  HIS  12           1HD      HIS  12   3.900  -3.734  -6.740
   78    HD2  HIS  12           2HD      HIS  12   2.223  -5.824  -3.547
   79    HE1  HIS  12           1HE      HIS  12   3.419  -6.073  -7.587
   80    H    SER  13           H        SER  13   3.293  -0.971  -2.475
   81    HA   SER  13           HA       SER  13   5.857   0.491  -2.629
   82    HB2  SER  13           2HB      SER  13   3.423   1.917  -1.803
   83    HB3  SER  13           1HB      SER  13   4.488   2.223  -3.175
   84    HG   SER  13           HG       SER  13   3.189   1.106  -4.395
   85    H    ARG  14           H        ARG  14   6.390   2.055  -0.852
   86    HA   ARG  14           HA       ARG  14   5.732   0.883   1.828
   87    HB2  ARG  14           2HB      ARG  14   8.115   2.431   0.759
   88    HB3  ARG  14           1HB      ARG  14   7.935   1.938   2.444
   89    HG2  ARG  14           2HG      ARG  14   7.434  -0.415   1.124
   90    HG3  ARG  14           1HG      ARG  14   8.651   0.324   0.084
   91    HD2  ARG  14           2HD      ARG  14   9.691   0.810   2.590
   92    HD3  ARG  14           1HD      ARG  14   8.947  -0.788   2.795
   93    HE   ARG  14           HE       ARG  14  10.363  -0.637   0.283
   94   HH11  ARG  14          1HH2      ARG  14  10.747  -0.949   3.701
   95   HH12  ARG  14          2HH2      ARG  14  12.226  -1.840   3.585
   96   HH21  ARG  14          1HH1      ARG  14  12.293  -1.799   0.118
   97   HH22  ARG  14          2HH1      ARG  14  13.101  -2.321   1.558
   98    H    CYS  15           H        CYS  15   4.851   3.397  -0.117
   99    HA   CYS  15           HA       CYS  15   5.093   5.765   1.399
  100    HB2  CYS  15           2HB      CYS  15   3.084   4.628  -0.534
  101    HB3  CYS  15           1HB      CYS  15   2.797   6.204   0.202
  102    H    CYS  16           H        CYS  16   3.271   2.905   2.077
  103    HA   CYS  16           HA       CYS  16   1.207   4.100   3.728
  104    HB2  CYS  16           2HB      CYS  16   1.255   1.828   2.567
  105    HB3  CYS  16           1HB      CYS  16   2.359   1.299   3.842
  106    HN1  NH2  17           1H       CYS  16   3.215   5.494   4.793
  107    HN2  NH2  17           2H       CYS  16   3.795   4.846   6.251
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   1.755   9.082  -4.580
    2    HA   CYS   1           HA       CYS   1   2.246   6.772  -4.666
    3    HB2  CYS   1           2HB      CYS   1   2.888   5.830  -2.465
    4    HB3  CYS   1           1HB      CYS   1   3.544   7.457  -2.673
    5    H    CYS   2           H        CYS   2   1.340   4.562  -3.756
    6    HA   CYS   2           HA       CYS   2  -1.422   4.366  -4.320
    7    HB2  CYS   2           2HB      CYS   2  -1.146   2.107  -3.263
    8    HB3  CYS   2           1HB      CYS   2   0.148   2.502  -4.399
    9    H    ASN   3           H        ASN   3  -2.678   2.999  -2.283
   10    HA   ASN   3           HA       ASN   3  -2.821   5.040  -0.087
   11    HB2  ASN   3           2HB      ASN   3  -4.708   4.166  -1.996
   12    HB3  ASN   3           1HB      ASN   3  -5.210   3.446  -0.463
   13   HD21  ASN   3          1HD2      ASN   3  -6.421   4.800   0.870
   14   HD22  ASN   3          2HD2      ASN   3  -6.445   6.494   0.774
   15    H    CYS   4           H        CYS   4  -3.218   4.226   2.043
   16    HA   CYS   4           HA       CYS   4  -2.022   1.662   2.650
   17    HB2  CYS   4           2HB      CYS   4  -3.392   3.909   4.090
   18    HB3  CYS   4           1HB      CYS   4  -3.129   2.390   4.956
   19    H    SER   5           H        SER   5  -5.184   2.599   1.719
   20    HA   SER   5           HA       SER   5  -6.714   0.630   3.191
   21    HB2  SER   5           2HB      SER   5  -7.602   2.716   2.175
   22    HB3  SER   5           1HB      SER   5  -7.243   2.076   0.573
   23    HG   SER   5           HG       SER   5  -9.249   1.392   0.811
   24    H    SER   6           H        SER   6  -4.682   0.476   0.383
   25    HA   SER   6           HA       SER   6  -5.902  -2.110  -0.481
   26    HB2  SER   6           2HB      SER   6  -4.448   0.132  -1.695
   27    HB3  SER   6           1HB      SER   6  -3.842  -1.442  -2.216
   28    HG   SER   6           HG       SER   6  -6.607  -1.058  -2.091
   29    H    LYS   7           H        LYS   7  -4.951  -3.949   0.288
   30    HA   LYS   7           HA       LYS   7  -2.629  -4.077   1.895
   31    HB2  LYS   7           2HB      LYS   7  -4.326  -5.833   1.752
   32    HB3  LYS   7           1HB      LYS   7  -3.922  -6.122   0.059
   33    HG2  LYS   7           2HG      LYS   7  -1.467  -6.380   1.225
   34    HG3  LYS   7           1HG      LYS   7  -2.513  -6.994   2.506
   35    HD2  LYS   7           2HD      LYS   7  -3.640  -8.419   0.702
   36    HD3  LYS   7           1HD      LYS   7  -2.284  -7.986  -0.342
   37    HE2  LYS   7           2HE      LYS   7  -1.579 -10.020   0.647
   38    HE3  LYS   7           1HE      LYS   7  -0.807  -8.795   1.674
   39    HZ1  LYS   7           3HZ      LYS   7  -2.258  -9.143   3.356
   40    HZ2  LYS   7           1HZ      LYS   7  -2.381 -10.684   2.661
   41    HZ3  LYS   7           2HZ      LYS   7  -3.556  -9.507   2.321
   42    H    TRP   8           H        TRP   8  -2.969  -4.536  -1.634
   43    HA   TRP   8           HA       TRP   8  -0.344  -5.337  -2.268
   44    HB2  TRP   8           2HB      TRP   8  -2.016  -5.299  -3.964
   45    HB3  TRP   8           1HB      TRP   8  -2.413  -3.608  -3.642
   46    HD1  TRP   8           HD       TRP   8   0.127  -5.818  -5.411
   47    HE1  TRP   8           1HE      TRP   8   1.596  -4.349  -6.939
   48    HE3  TRP   8           3HE      TRP   8  -1.448  -1.185  -3.957
   49    HZ2  TRP   8           2HZ      TRP   8   2.042  -1.573  -7.474
   50    HZ3  TRP   8           3HZ      TRP   8  -0.487   0.851  -4.989
   51    HH2  TRP   8           HH       TRP   8   1.254   0.664  -6.744
   52    H    CYS   9           H        CYS   9  -1.616  -1.986  -2.214
   53    HA   CYS   9           HA       CYS   9   0.683  -0.500  -2.658
   54    HB2  CYS   9           2HB      CYS   9  -1.434   0.552  -2.292
   55    HB3  CYS   9           1HB      CYS   9  -1.617  -0.197  -0.713
   56    H    ARG  10           H        ARG  10  -0.441  -1.643   0.521
   57    HA   ARG  10           HA       ARG  10   1.844  -0.872   2.035
   58    HB2  ARG  10           2HB      ARG  10  -0.290  -3.003   2.301
   59    HB3  ARG  10           1HB      ARG  10   0.868  -2.662   3.581
   60    HG2  ARG  10           2HG      ARG  10   0.105  -0.177   3.246
   61    HG3  ARG  10           1HG      ARG  10  -1.313  -0.908   2.495
   62    HD2  ARG  10           2HD      ARG  10  -0.295  -1.518   5.296
   63    HD3  ARG  10           1HD      ARG  10  -1.732  -0.553   4.899
   64    HE   ARG  10           HE       ARG  10  -2.107  -2.923   3.502
   65   HH11  ARG  10          1HH2      ARG  10  -1.475  -2.024   6.778
   66   HH12  ARG  10          2HH2      ARG  10  -2.328  -3.373   7.448
   67   HH21  ARG  10          1HH1      ARG  10  -3.222  -4.686   4.367
   68   HH22  ARG  10          2HH1      ARG  10  -3.314  -4.879   6.085
   69    H    ASP  11           H        ASP  11   1.185  -3.744   0.079
   70    HA   ASP  11           HA       ASP  11   3.712  -5.014   1.015
   71    HB2  ASP  11           2HB      ASP  11   1.278  -5.895  -0.546
   72    HB3  ASP  11           1HB      ASP  11   2.708  -6.917  -0.398
   73    H    HIS  12           H        HIS  12   2.915  -2.816  -1.320
   74    HA   HIS  12           HA       HIS  12   5.040  -3.868  -3.156
   75    HB2  HIS  12           2HB      HIS  12   2.215  -3.048  -3.659
   76    HB3  HIS  12           1HB      HIS  12   3.412  -2.621  -4.886
   77    HD1  HIS  12           1HD      HIS  12   4.277  -4.481  -6.370
   78    HD2  HIS  12           2HD      HIS  12   2.053  -5.928  -3.155
   79    HE1  HIS  12           1HE      HIS  12   3.962  -6.960  -6.775
   80    H    SER  13           H        SER  13   3.969  -1.300  -1.225
   81    HA   SER  13           HA       SER  13   5.777   0.586  -2.699
   82    HB2  SER  13           2HB      SER  13   3.461   1.666  -1.181
   83    HB3  SER  13           1HB      SER  13   4.128   2.182  -2.730
   84    HG   SER  13           HG       SER  13   2.858   0.814  -3.731
   85    H    ARG  14           H        ARG  14   6.051   2.611  -1.024
   86    HA   ARG  14           HA       ARG  14   6.733   1.416   1.643
   87    HB2  ARG  14           2HB      ARG  14   8.771   2.756   1.564
   88    HB3  ARG  14           1HB      ARG  14   8.660   1.807   0.082
   89    HG2  ARG  14           2HG      ARG  14   8.412   3.652  -1.223
   90    HG3  ARG  14           1HG      ARG  14   7.340   4.442  -0.066
   91    HD2  ARG  14           2HD      ARG  14   9.290   5.042   1.341
   92    HD3  ARG  14           1HD      ARG  14  10.368   4.263   0.164
   93    HE   ARG  14           HE       ARG  14   8.696   6.068  -1.257
   94   HH11  ARG  14          1HH2      ARG  14  11.203   6.049   1.122
   95   HH12  ARG  14          2HH2      ARG  14  11.820   7.601   0.669
   96   HH21  ARG  14          1HH1      ARG  14   9.493   8.094  -1.852
   97   HH22  ARG  14          2HH1      ARG  14  10.856   8.757  -1.013
   98    H    CYS  15           H        CYS  15   4.484   3.264   0.416
   99    HA   CYS  15           HA       CYS  15   4.799   5.766   1.907
  100    HB2  CYS  15           2HB      CYS  15   3.351   4.830  -0.268
  101    HB3  CYS  15           1HB      CYS  15   2.120   4.996   0.984
  102    H    CYS  16           H        CYS  16   3.089   2.691   2.317
  103    HA   CYS  16           HA       CYS  16   1.738   3.615   4.775
  104    HB2  CYS  16           2HB      CYS  16   1.064   1.909   2.808
  105    HB3  CYS  16           1HB      CYS  16   1.827   0.759   3.910
  106    HN1  NH2  17           1H       CYS  16   4.878   2.950   4.297
  107    HN2  NH2  17           2H       CYS  16   5.256   2.076   5.701
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   1.019   8.638  -4.767
    2    HA   CYS   1           HA       CYS   1   2.706   6.471  -4.312
    3    HB2  CYS   1           2HB      CYS   1   2.571   7.970  -2.015
    4    HB3  CYS   1           1HB      CYS   1   1.334   6.747  -1.711
    5    H    CYS   2           H        CYS   2   0.941   4.948  -2.508
    6    HA   CYS   2           HA       CYS   2  -1.493   4.787  -4.256
    7    HB2  CYS   2           2HB      CYS   2  -1.374   2.317  -3.572
    8    HB3  CYS   2           1HB      CYS   2  -0.096   2.883  -4.650
    9    H    ASN   3           H        ASN   3  -3.234   3.384  -2.946
   10    HA   ASN   3           HA       ASN   3  -3.790   4.911  -0.488
   11    HB2  ASN   3           2HB      ASN   3  -5.230   3.765  -2.592
   12    HB3  ASN   3           1HB      ASN   3  -5.616   2.747  -1.201
   13   HD21  ASN   3          1HD2      ASN   3  -5.763   4.435   0.926
   14   HD22  ASN   3          2HD2      ASN   3  -6.888   5.678   0.664
   15    H    CYS   4           H        CYS   4  -3.040   4.162   1.453
   16    HA   CYS   4           HA       CYS   4  -1.841   1.644   1.932
   17    HB2  CYS   4           2HB      CYS   4  -3.033   3.869   3.530
   18    HB3  CYS   4           1HB      CYS   4  -2.686   2.360   4.380
   19    H    SER   5           H        SER   5  -5.197   2.497   1.693
   20    HA   SER   5           HA       SER   5  -6.451   0.558   3.326
   21    HB2  SER   5           2HB      SER   5  -7.082   2.397   1.237
   22    HB3  SER   5           1HB      SER   5  -7.834   0.857   0.830
   23    HG   SER   5           HG       SER   5  -7.985   1.898   3.444
   24    H    SER   6           H        SER   6  -5.303   0.262  -0.041
   25    HA   SER   6           HA       SER   6  -6.084  -2.551  -0.230
   26    HB2  SER   6           2HB      SER   6  -5.390  -0.399  -1.927
   27    HB3  SER   6           1HB      SER   6  -4.170  -1.644  -2.197
   28    HG   SER   6           HG       SER   6  -5.946  -3.127  -2.450
   29    H    LYS   7           H        LYS   7  -4.870  -4.166   0.634
   30    HA   LYS   7           HA       LYS   7  -2.430  -3.953   1.980
   31    HB2  LYS   7           2HB      LYS   7  -4.048  -5.895   1.863
   32    HB3  LYS   7           1HB      LYS   7  -3.353  -6.302   0.294
   33    HG2  LYS   7           2HG      LYS   7  -1.513  -7.223   1.233
   34    HG3  LYS   7           1HG      LYS   7  -1.315  -5.873   2.350
   35    HD2  LYS   7           2HD      LYS   7  -3.028  -6.798   3.828
   36    HD3  LYS   7           1HD      LYS   7  -3.329  -8.114   2.693
   37    HE2  LYS   7           2HE      LYS   7  -1.784  -8.689   4.656
   38    HE3  LYS   7           1HE      LYS   7  -1.113  -9.025   3.048
   39    HZ1  LYS   7           3HZ      LYS   7   0.054  -6.980   3.058
   40    HZ2  LYS   7           1HZ      LYS   7   0.379  -7.711   4.553
   41    HZ3  LYS   7           2HZ      LYS   7  -0.743  -6.440   4.458
   42    H    TRP   8           H        TRP   8  -2.981  -4.505  -1.493
   43    HA   TRP   8           HA       TRP   8  -0.397  -5.118  -2.384
   44    HB2  TRP   8           2HB      TRP   8  -2.281  -5.068  -3.877
   45    HB3  TRP   8           1HB      TRP   8  -2.602  -3.370  -3.512
   46    HD1  TRP   8           HD       TRP   8  -0.351  -5.631  -5.570
   47    HE1  TRP   8           1HE      TRP   8   1.012  -4.190  -7.217
   48    HE3  TRP   8           3HE      TRP   8  -1.539  -0.974  -3.853
   49    HZ2  TRP   8           2HZ      TRP   8   1.531  -1.420  -7.732
   50    HZ3  TRP   8           3HZ      TRP   8  -0.598   1.041  -4.938
   51    HH2  TRP   8           HH       TRP   8   0.933   0.828  -6.873
   52    H    CYS   9           H        CYS   9  -1.800  -1.870  -1.860
   53    HA   CYS   9           HA       CYS   9   0.439  -0.288  -2.534
   54    HB2  CYS   9           2HB      CYS   9  -1.813   0.547  -2.034
   55    HB3  CYS   9           1HB      CYS   9  -1.661   0.022  -0.363
   56    H    ARG  10           H        ARG  10  -0.466  -1.607   0.657
   57    HA   ARG  10           HA       ARG  10   1.889  -0.700   2.038
   58    HB2  ARG  10           2HB      ARG  10  -0.235  -2.800   2.480
   59    HB3  ARG  10           1HB      ARG  10   1.037  -2.507   3.661
   60    HG2  ARG  10           2HG      ARG  10   0.381  -0.147   3.819
   61    HG3  ARG  10           1HG      ARG  10  -0.874  -0.406   2.607
   62    HD2  ARG  10           2HD      ARG  10  -0.788  -2.010   5.176
   63    HD3  ARG  10           1HD      ARG  10  -1.661  -0.472   5.048
   64    HE   ARG  10           HE       ARG  10  -2.291  -2.223   2.830
   65   HH11  ARG  10          1HH2      ARG  10  -2.903  -1.546   6.162
   66   HH12  ARG  10          2HH2      ARG  10  -4.485  -2.253   6.147
   67   HH21  ARG  10          1HH1      ARG  10  -4.350  -3.144   2.800
   68   HH22  ARG  10          2HH1      ARG  10  -5.303  -3.157   4.246
   69    H    ASP  11           H        ASP  11   1.241  -3.497   0.019
   70    HA   ASP  11           HA       ASP  11   3.699  -4.866   0.982
   71    HB2  ASP  11           2HB      ASP  11   1.450  -5.629  -0.904
   72    HB3  ASP  11           1HB      ASP  11   2.785  -6.698  -0.475
   73    H    HIS  12           H        HIS  12   2.511  -3.019  -1.741
   74    HA   HIS  12           HA       HIS  12   4.864  -3.804  -3.395
   75    HB2  HIS  12           2HB      HIS  12   2.177  -2.529  -3.835
   76    HB3  HIS  12           1HB      HIS  12   3.451  -2.292  -5.035
   77    HD1  HIS  12           1HD      HIS  12   3.715  -4.123  -6.716
   78    HD2  HIS  12           2HD      HIS  12   1.733  -5.450  -3.297
   79    HE1  HIS  12           1HE      HIS  12   3.011  -6.512  -7.177
   80    H    SER  13           H        SER  13   3.408  -1.028  -1.742
   81    HA   SER  13           HA       SER  13   5.638   0.716  -2.700
   82    HB2  SER  13           2HB      SER  13   2.964   1.235  -1.368
   83    HB3  SER  13           1HB      SER  13   4.128   2.506  -1.745
   84    HG   SER  13           HG       SER  13   2.594   0.888  -3.450
   85    H    ARG  14           H        ARG  14   5.974   2.491  -0.727
   86    HA   ARG  14           HA       ARG  14   6.533   0.903   1.757
   87    HB2  ARG  14           2HB      ARG  14   8.311   3.007   0.490
   88    HB3  ARG  14           1HB      ARG  14   8.723   1.931   1.825
   89    HG2  ARG  14           2HG      ARG  14   8.748   0.017   0.415
   90    HG3  ARG  14           1HG      ARG  14   7.934   0.876  -0.894
   91    HD2  ARG  14           2HD      ARG  14  10.056   1.158  -1.713
   92    HD3  ARG  14           1HD      ARG  14  10.166   2.446  -0.496
   93    HE   ARG  14           HE       ARG  14  11.513   1.018   0.832
   94   HH11  ARG  14          1HH2      ARG  14   9.868  -0.698  -1.677
   95   HH12  ARG  14          2HH2      ARG  14  10.699  -2.187  -1.378
   96   HH21  ARG  14          1HH1      ARG  14  12.597  -0.924   1.231
   97   HH22  ARG  14          2HH1      ARG  14  12.237  -2.316   0.266
   98    H    CYS  15           H        CYS  15   4.952   3.541   0.439
   99    HA   CYS  15           HA       CYS  15   5.399   5.697   2.204
  100    HB2  CYS  15           2HB      CYS  15   3.042   4.640   0.652
  101    HB3  CYS  15           1HB      CYS  15   2.878   6.091   1.642
  102    H    CYS  16           H        CYS  16   3.174   2.918   2.579
  103    HA   CYS  16           HA       CYS  16   2.057   3.782   5.089
  104    HB2  CYS  16           2HB      CYS  16   1.758   1.711   3.208
  105    HB3  CYS  16           1HB      CYS  16   2.172   0.904   4.725
  106    HN1  NH2  17           1H       CYS  16   3.138   3.820   7.079
  107    HN2  NH2  17           2H       CYS  16   4.466   2.848   7.496