*HEADER    HYDROLASE INHIBITOR                     08-APR-02   1LD6              
*TITLE     STRUCTURE OF BPTI_8A MUTANT                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PANCREATIC TRYPSIN INHIBITOR;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                          
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PAED4                                     
*KEYWDS    BPTI, KUNITZ FOLD                                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    T.CIERPICKI, J.OTLEWSKI                                               
*REVDAT   1   11-SEP-02 1LD6    0                                                

assign (resid  1  and name HA ) (resid 1 and name HB# ) 1.80 0.00  1.22 
assign (resid  1  and name HA ) (resid 1 and name HB# ) 1.80 0.00  1.19 
assign (resid  1  and name HA ) (resid 2 and name HD2 ) 1.80 0.00  1.13 
assign (resid  1  and name HA ) (resid 2 and name HD1 ) 1.80 0.00  0.72 
assign (resid  1  and name HB# ) (resid 1 and name HD# ) 1.80 0.00  3.51 
assign (resid  1  and name HB# ) (resid 1 and name HE ) 1.80 0.00  3.08 
assign (resid  1  and name HB# ) (resid 1 and name HE ) 1.80 0.00  3.70 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  1.96 
assign (resid  1  and name HG# ) (resid 1 and name HE ) 1.80 0.00  3.64 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  3.70 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  2.58 
assign (resid  1  and name HG# ) (resid 1 and name HE ) 1.80 0.00  3.70 
assign (resid  1  and name HD# ) (resid 1 and name HE ) 1.80 0.00  1.44 
assign (resid  1  and name HD# ) (resid 6 and name HD2# ) 1.80 0.00  4.67 
assign (resid  1  and name HD# ) (resid 23 and name HE# ) 1.80 0.00  5.83 
assign (resid  1  and name HE ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  1  and name HE ) (resid 23 and name HE# ) 1.80 0.00  5.83 
assign (resid  2  and name HA ) (resid 2 and name HB2 ) 1.80 0.00  1.62 
assign (resid  2  and name HA ) (resid 2 and name HB1 ) 1.80 0.00  0.97 
assign (resid  2  and name HA ) (resid 3 and name HN ) 1.80 0.00  0.69 
assign (resid  2  and name HB2 ) (resid 2 and name HB1 ) 1.80 0.00  0.60 
assign (resid  2  and name HB2 ) (resid 2 and name HD2 ) 1.80 0.00  3.14 
assign (resid  2  and name HB2 ) (resid 3 and name HN ) 1.80 0.00  2.46 
assign (resid  2  and name HB2 ) (resid 4 and name HN ) 1.80 0.00  2.03 
assign (resid  2  and name HB2 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB2 ) (resid 4 and name HE# ) 1.80 0.00  5.70 
assign (resid  2  and name HB2 ) (resid 5 and name HN ) 1.80 0.00  1.78 
assign (resid  2  and name HB1 ) (resid 2 and name HD2 ) 1.80 0.00  3.17 
assign (resid  2  and name HB1 ) (resid 3 and name HN ) 1.80 0.00  1.93 
assign (resid  2  and name HB1 ) (resid 4 and name HN ) 1.80 0.00  3.11 
assign (resid  2  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB1 ) (resid 4 and name HE# ) 1.80 0.00  4.92 
assign (resid  2  and name HB1 ) (resid 4 and name HZ ) 1.80 0.00  3.70 
assign (resid  2  and name HG2 ) (resid 2 and name HD2 ) 1.80 0.00  1.47 
assign (resid  2  and name HG2 ) (resid 2 and name HD1 ) 1.80 0.00  1.16 
assign (resid  2  and name HG2 ) (resid 55 and name HN ) 1.80 0.00  2.46 
assign (resid  2  and name HG1 ) (resid 2 and name HD2 ) 1.80 0.00  1.34 
assign (resid  2  and name HG1 ) (resid 2 and name HD1 ) 1.80 0.00  0.85 
assign (resid  3  and name HN ) (resid 3 and name HB# ) 1.80 0.00  2.22 
assign (resid  3  and name HN ) (resid 4 and name HN ) 1.80 0.00  1.99 
assign (resid  3  and name HA ) (resid 3 and name HB# ) 1.80 0.00  1.76 
assign (resid  3  and name HA ) (resid 4 and name HN ) 1.80 0.00  1.81 
assign (resid  3  and name HA ) (resid 6 and name HG ) 1.80 0.00  0.94 
assign (resid  3  and name HB# ) (resid 4 and name HN ) 1.80 0.00  3.06 
assign (resid  3  and name HB# ) (resid 6 and name HG ) 1.80 0.00  3.68 
assign (resid  3  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  5.60 
assign (resid  3  and name HB# ) (resid 42 and name HG# ) 1.80 0.00  5.45 
assign (resid  4  and name HN ) (resid 4 and name HA ) 1.80 0.00  1.34 
assign (resid  4  and name HN ) (resid 4 and name HB1 ) 1.80 0.00  1.28 
assign (resid  4  and name HN ) (resid 4 and name HD# ) 1.80 0.00  4.15 
assign (resid  4  and name HN ) (resid 5 and name HN ) 1.80 0.00  1.37 
assign (resid  4  and name HA ) (resid 4 and name HB2 ) 1.80 0.00  0.79 
assign (resid  4  and name HA ) (resid 4 and name HB1 ) 1.80 0.00  0.63 
assign (resid  4  and name HA ) (resid 4 and name HD# ) 1.80 0.00  5.08 
assign (resid  4  and name HA ) (resid 5 and name HN ) 1.80 0.00  2.68 
assign (resid  4  and name HA ) (resid 6 and name HN ) 1.80 0.00  3.70 
assign (resid  4  and name HA ) (resid 7 and name HN ) 1.80 0.00  2.99 
assign (resid  4  and name HA ) (resid 7 and name HG# ) 1.80 0.00  3.58 
assign (resid  4  and name HB2 ) (resid 4 and name HB1 ) 1.80 0.00  0.60 
assign (resid  4  and name HB2 ) (resid 4 and name HD# ) 1.80 0.00  3.74 
assign (resid  4  and name HB2 ) (resid 5 and name HN ) 1.80 0.00  1.93 
assign (resid  4  and name HB2 ) (resid 42 and name HB# ) 1.80 0.00  3.70 
assign (resid  4  and name HB2 ) (resid 42 and name HB# ) 1.80 0.00  2.83 
assign (resid  4  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  3.28 
assign (resid  4  and name HB1 ) (resid 42 and name HB# ) 1.80 0.00  3.70 
assign (resid  4  and name HD# ) (resid 4 and name HZ ) 1.80 0.00  4.92 
assign (resid  4  and name HD# ) (resid 5 and name HN ) 1.80 0.00  4.30 
assign (resid  4  and name HD# ) (resid 5 and name HA ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 42 and name HB# ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 42 and name HB# ) 1.80 0.00  5.33 
assign (resid  4  and name HD# ) (resid 43 and name HA ) 1.80 0.00  5.23 
assign (resid  4  and name HD# ) (resid 43 and name HB2 ) 1.80 0.00  4.89 
assign (resid  4  and name HE# ) (resid 42 and name HB# ) 1.80 0.00  5.82 
assign (resid  4  and name HE# ) (resid 42 and name HB# ) 1.80 0.00  5.82 
assign (resid  4  and name HE# ) (resid 43 and name HA ) 1.80 0.00  5.82 
assign (resid  5  and name HN ) (resid 5 and name HA ) 1.80 0.00  1.65 
assign (resid  5  and name HN ) (resid 5 and name HB# ) 1.80 0.00  0.97 
assign (resid  5  and name HN ) (resid 5 and name HB# ) 1.80 0.00  2.15 
assign (resid  5  and name HN ) (resid 6 and name HN ) 1.80 0.00  0.69 
assign (resid  5  and name HA ) (resid 5 and name HB# ) 1.80 0.00  1.19 
assign (resid  5  and name HA ) (resid 5 and name HB# ) 1.80 0.00  1.28 
assign (resid  5  and name HB# ) (resid 6 and name HN ) 1.80 0.00  2.80 
assign (resid  5  and name HB# ) (resid 23 and name HD# ) 1.80 0.00  4.72 
assign (resid  5  and name HB# ) (resid 23 and name HE# ) 1.80 0.00  4.93 
assign (resid  6  and name HN ) (resid 6 and name HB# ) 1.80 0.00  1.91 
assign (resid  6  and name HN ) (resid 6 and name HG ) 1.80 0.00  0.94 
assign (resid  6  and name HN ) (resid 6 and name HD1# ) 1.80 0.00  4.01 
assign (resid  6  and name HN ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  6  and name HN ) (resid 7 and name HN ) 1.80 0.00  0.60 
assign (resid  6  and name HA ) (resid 6 and name HD2# ) 1.80 0.00  1.88 
assign (resid  6  and name HA ) (resid 7 and name HN ) 1.80 0.00  3.33 
assign (resid  6  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  3.31 
assign (resid  6  and name HB# ) (resid 6 and name HD2# ) 1.80 0.00  3.99 
assign (resid  6  and name HB# ) (resid 7 and name HN ) 1.80 0.00  3.31 
assign (resid  6  and name HG ) (resid 6 and name HD1# ) 1.80 0.00  1.72 
assign (resid  7  and name HN ) (resid 7 and name HA ) 1.80 0.00  1.81 
assign (resid  7  and name HN ) (resid 7 and name HB# ) 1.80 0.00  1.50 
assign (resid  7  and name HN ) (resid 7 and name HG# ) 1.80 0.00  3.12 
assign (resid  7  and name HN ) (resid 43 and name HD2# ) 1.80 0.00  3.70 
assign (resid  7  and name HN ) (resid 43 and name HD2# ) 1.80 0.00  3.70 
assign (resid  7  and name HA ) (resid 7 and name HB# ) 1.80 0.00  1.78 
assign (resid  7  and name HA ) (resid 7 and name HB# ) 1.80 0.00  2.06 
assign (resid  7  and name HA ) (resid 7 and name HG# ) 1.80 0.00  4.58 
assign (resid  7  and name HA ) (resid 8 and name HD# ) 1.80 0.00  1.62 
assign (resid  7  and name HA ) (resid 8 and name HD# ) 1.80 0.00  1.06 
assign (resid  7  and name HB# ) (resid 7 and name HG# ) 1.80 0.00  2.69 
assign (resid  7  and name HB# ) (resid 7 and name HG# ) 1.80 0.00  2.31 
assign (resid  7  and name HB# ) (resid 40 and name HB# ) 1.80 0.00  3.67 
assign (resid  8  and name HA ) (resid 8 and name HB# ) 1.80 0.00  2.62 
assign (resid  8  and name HA ) (resid 8 and name HG# ) 1.80 0.00  2.37 
assign (resid  8  and name HA ) (resid 8 and name HG# ) 1.80 0.00  3.33 
assign (resid  8  and name HA ) (resid 9 and name HD# ) 1.80 0.00  2.38 
assign (resid  8  and name HA ) (resid 22 and name HD# ) 1.80 0.00  5.82 
assign (resid  8  and name HB# ) (resid 8 and name HD# ) 1.80 0.00  4.58 
assign (resid  8  and name HB# ) (resid 9 and name HD# ) 1.80 0.00  5.45 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.03 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.78 
assign (resid  8  and name HG# ) (resid 9 and name HD# ) 1.80 0.00  3.46 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.81 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.13 
assign (resid  8  and name HD# ) (resid 8 and name HD# ) 1.80 0.00  0.60 
assign (resid  9  and name HA ) (resid 9 and name HB2 ) 1.80 0.00  2.21 
assign (resid  9  and name HA ) (resid 9 and name HB1 ) 1.80 0.00  1.93 
assign (resid  9  and name HA ) (resid 10 and name HN ) 1.80 0.00  1.37 
assign (resid  9  and name HB2 ) (resid 9 and name HG# ) 1.80 0.00  2.43 
assign (resid  9  and name HB2 ) (resid 9 and name HD# ) 1.80 0.00  4.58 
assign (resid  9  and name HB2 ) (resid 10 and name HN ) 1.80 0.00  1.37 
assign (resid  9  and name HB2 ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HB2 ) (resid 37 and name HB# ) 1.80 0.00  3.86 
assign (resid  9  and name HB1 ) (resid 9 and name HG# ) 1.80 0.00  2.55 
assign (resid  9  and name HB1 ) (resid 33 and name HE# ) 1.80 0.00  4.58 
assign (resid  9  and name HG# ) (resid 9 and name HD# ) 1.80 0.00  3.18 
assign (resid  9  and name HG# ) (resid 22 and name HD# ) 1.80 0.00  5.82 
assign (resid  9  and name HG# ) (resid 9 and name HD# ) 1.80 0.00  3.00 
assign (resid  9  and name HG# ) (resid 22 and name HD# ) 1.80 0.00  5.82 
assign (resid  9  and name HG# ) (resid 22 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HD# ) (resid 22 and name HD# ) 1.80 0.00  6.05 
assign (resid  10  and name HN ) (resid 10 and name HA ) 1.80 0.00  2.31 
assign (resid  10  and name HN ) (resid 10 and name HB# ) 1.80 0.00  1.62 
assign (resid  10  and name HN ) (resid 10 and name HB# ) 1.80 0.00  2.09 
assign (resid  10  and name HN ) (resid 38 and name HN ) 1.80 0.00  2.46 
assign (resid  10  and name HA ) (resid 10 and name HB# ) 1.80 0.00  0.88 
assign (resid  10  and name HA ) (resid 10 and name HB# ) 1.80 0.00  0.85 
assign (resid  10  and name HA ) (resid 10 and name HD# ) 1.80 0.00  4.35 
assign (resid  10  and name HA ) (resid 11 and name HN ) 1.80 0.00  0.97 
assign (resid  10  and name HB# ) (resid 10 and name HE# ) 1.80 0.00  5.83 
assign (resid  10  and name HB# ) (resid 11 and name HN ) 1.80 0.00  1.68 
assign (resid  10  and name HD# ) (resid 11 and name HN ) 1.80 0.00  5.84 
assign (resid  10  and name HD# ) (resid 11 and name HB# ) 1.80 0.00  6.87 
assign (resid  10  and name HD# ) (resid 12 and name HA# ) 1.80 0.00  5.84 
assign (resid  10  and name HD# ) (resid 12 and name HA# ) 1.80 0.00  5.84 
assign (resid  10  and name HD# ) (resid 40 and name HB# ) 1.80 0.00  6.22 
assign (resid  10  and name HE# ) (resid 12 and name HA# ) 1.80 0.00  5.83 
assign (resid  10  and name HE# ) (resid 13 and name HN ) 1.80 0.00  5.83 
assign (resid  10  and name HE# ) (resid 38 and name HB# ) 1.80 0.00  5.83 
assign (resid  10  and name HE# ) (resid 38 and name HB# ) 1.80 0.00  5.24 
assign (resid  10  and name HE# ) (resid 40 and name HA ) 1.80 0.00  4.28 
assign (resid  10  and name HE# ) (resid 40 and name HB# ) 1.80 0.00  6.86 
assign (resid  11  and name HN ) (resid 11 and name HA ) 1.80 0.00  1.65 
assign (resid  11  and name HN ) (resid 11 and name HB# ) 1.80 0.00  2.15 
assign (resid  11  and name HA ) (resid 11 and name HB# ) 1.80 0.00  2.12 
assign (resid  11  and name HA ) (resid 12 and name HN ) 1.80 0.00  0.79 
assign (resid  11  and name HA ) (resid 38 and name HN ) 1.80 0.00  2.96 
assign (resid  11  and name HB# ) (resid 12 and name HN ) 1.80 0.00  3.70 
assign (resid  12  and name HN ) (resid 12 and name HA# ) 1.80 0.00  1.00 
assign (resid  12  and name HN ) (resid 12 and name HA# ) 1.80 0.00  1.25 
assign (resid  12  and name HN ) (resid 37 and name HA ) 1.80 0.00  1.75 
assign (resid  12  and name HA# ) (resid 12 and name HA# ) 1.80 0.00  0.60 
assign (resid  12  and name HA# ) (resid 13 and name HN ) 1.80 0.00  0.66 
assign (resid  12  and name HA# ) (resid 13 and name HN ) 1.80 0.00  1.00 
assign (resid  13  and name HN ) (resid 13 and name HA ) 1.80 0.00  0.72 
assign (resid  13  and name HN ) (resid 13 and name HB# ) 1.80 0.00  1.81 
assign (resid  13  and name HN ) (resid 14 and name HN ) 1.80 0.00  2.74 
assign (resid  13  and name HA ) (resid 13 and name HB# ) 1.80 0.00  2.15 
assign (resid  13  and name HA ) (resid 14 and name HN ) 1.80 0.00  1.03 
assign (resid  13  and name HB# ) (resid 14 and name HN ) 1.80 0.00  3.49 
assign (resid  14  and name HN ) (resid 14 and name HA ) 1.80 0.00  1.62 
assign (resid  14  and name HN ) (resid 14 and name HB# ) 1.80 0.00  1.93 
assign (resid  14  and name HN ) (resid 36 and name HA1 ) 1.80 0.00  2.74 
assign (resid  14  and name HN ) (resid 36 and name HA2 ) 1.80 0.00  3.70 
assign (resid  14  and name HA ) (resid 14 and name HB# ) 1.80 0.00  1.68 
assign (resid  14  and name HA ) (resid 14 and name HB# ) 1.80 0.00  1.03 
assign (resid  14  and name HA ) (resid 15 and name HN ) 1.80 0.00  0.72 
assign (resid  14  and name HB# ) (resid 14 and name HB# ) 1.80 0.00  0.60 
assign (resid  14  and name HB# ) (resid 15 and name HN ) 1.80 0.00  2.83 
assign (resid  14  and name HB# ) (resid 15 and name HN ) 1.80 0.00  1.90 
assign (resid  15  and name HN ) (resid 15 and name HA ) 1.80 0.00  1.37 
assign (resid  15  and name HN ) (resid 15 and name HB# ) 1.80 0.00  2.12 
assign (resid  15  and name HN ) (resid 15 and name HG# ) 1.80 0.00  3.70 
assign (resid  15  and name HN ) (resid 15 and name HG# ) 1.80 0.00  3.70 
assign (resid  15  and name HA ) (resid 15 and name HB# ) 1.80 0.00  0.85 
assign (resid  15  and name HA ) (resid 15 and name HB# ) 1.80 0.00  0.97 
assign (resid  15  and name HA ) (resid 15 and name HG# ) 1.80 0.00  3.51 
assign (resid  15  and name HA ) (resid 15 and name HD# ) 1.80 0.00  4.58 
assign (resid  15  and name HA ) (resid 16 and name HN ) 1.80 0.00  1.16 
assign (resid  15  and name HA ) (resid 35 and name HD# ) 1.80 0.00  5.59 
assign (resid  15  and name HB# ) (resid 15 and name HD# ) 1.80 0.00  2.22 
assign (resid  15  and name HG# ) (resid 15 and name HD# ) 1.80 0.00  3.99 
assign (resid  15  and name HD# ) (resid 15 and name HE ) 1.80 0.00  2.87 
assign (resid  16  and name HN ) (resid 16 and name HA ) 1.80 0.00  2.43 
assign (resid  16  and name HN ) (resid 16 and name HB# ) 1.80 0.00  2.43 
assign (resid  16  and name HA ) (resid 17 and name HN ) 1.80 0.00  0.60 
assign (resid  16  and name HA ) (resid 18 and name HN ) 1.80 0.00  2.40 
assign (resid  17  and name HN ) (resid 17 and name HA ) 1.80 0.00  0.82 
assign (resid  17  and name HN ) (resid 17 and name HB# ) 1.80 0.00  1.97 
assign (resid  17  and name HN ) (resid 18 and name HN ) 1.80 0.00  1.56 
assign (resid  17  and name HA ) (resid 17 and name HB# ) 1.80 0.00  2.25 
assign (resid  17  and name HA ) (resid 18 and name HN ) 1.80 0.00  0.82 
assign (resid  17  and name HB# ) (resid 18 and name HN ) 1.80 0.00  2.99 
assign (resid  17  and name HB# ) (resid 33 and name HB2 ) 1.80 0.00  4.73 
assign (resid  17  and name HB# ) (resid 33 and name HD# ) 1.80 0.00  6.85 
assign (resid  18  and name HN ) (resid 18 and name HA ) 1.80 0.00  1.44 
assign (resid  18  and name HN ) (resid 18 and name HB# ) 1.80 0.00  2.25 
assign (resid  18  and name HN ) (resid 19 and name HN ) 1.80 0.00  3.20 
assign (resid  18  and name HA ) (resid 19 and name HN ) 1.80 0.00  0.82 
assign (resid  19  and name HN ) (resid 19 and name HA ) 1.80 0.00  1.28 
assign (resid  19  and name HN ) (resid 19 and name HB# ) 1.80 0.00  2.06 
assign (resid  19  and name HN ) (resid 20 and name HN ) 1.80 0.00  1.87 
assign (resid  19  and name HA ) (resid 21 and name HE# ) 1.80 0.00  5.83 
assign (resid  19  and name HB# ) (resid 20 and name HN ) 1.80 0.00  3.21 
assign (resid  20  and name HN ) (resid 20 and name HA ) 1.80 0.00  2.18 
assign (resid  20  and name HN ) (resid 20 and name HB2 ) 1.80 0.00  1.72 
assign (resid  20  and name HN ) (resid 20 and name HB1 ) 1.80 0.00  2.12 
assign (resid  20  and name HN ) (resid 20 and name HG# ) 1.80 0.00  3.61 
assign (resid  20  and name HN ) (resid 20 and name HG# ) 1.80 0.00  2.77 
assign (resid  20  and name HN ) (resid 32 and name HG2# ) 1.80 0.00  4.73 
assign (resid  20  and name HA ) (resid 20 and name HB2 ) 1.80 0.00  2.89 
assign (resid  20  and name HA ) (resid 20 and name HB1 ) 1.80 0.00  2.03 
assign (resid  20  and name HA ) (resid 21 and name HN ) 1.80 0.00  0.75 
assign (resid  20  and name HA ) (resid 21 and name HE# ) 1.80 0.00  5.83 
assign (resid  20  and name HA ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  20  and name HB2 ) (resid 20 and name HB1 ) 1.80 0.00  0.60 
assign (resid  20  and name HB2 ) (resid 21 and name HN ) 1.80 0.00  1.75 
assign (resid  20  and name HB2 ) (resid 33 and name HE# ) 1.80 0.00  4.95 
assign (resid  20  and name HB1 ) (resid 20 and name HG# ) 1.80 0.00  2.68 
assign (resid  20  and name HB1 ) (resid 20 and name HG# ) 1.80 0.00  1.78 
assign (resid  20  and name HB1 ) (resid 20 and name HE ) 1.80 0.00  1.56 
assign (resid  20  and name HB1 ) (resid 21 and name HN ) 1.80 0.00  0.79 
assign (resid  20  and name HB1 ) (resid 33 and name HD# ) 1.80 0.00  5.29 
assign (resid  20  and name HB1 ) (resid 33 and name HE# ) 1.80 0.00  5.05 
assign (resid  20  and name HG# ) (resid 20 and name HD# ) 1.80 0.00  2.62 
assign (resid  20  and name HG# ) (resid 20 and name HD# ) 1.80 0.00  2.21 
assign (resid  20  and name HG# ) (resid 20 and name HE ) 1.80 0.00  2.99 
assign (resid  20  and name HD# ) (resid 20 and name HE ) 1.80 0.00  1.19 
assign (resid  20  and name HD# ) (resid 20 and name HE ) 1.80 0.00  1.87 
assign (resid  21  and name HN ) (resid 21 and name HA ) 1.80 0.00  2.12 
assign (resid  21  and name HN ) (resid 21 and name HB# ) 1.80 0.00  1.97 
assign (resid  21  and name HN ) (resid 21 and name HE# ) 1.80 0.00  5.83 
assign (resid  21  and name HN ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  21  and name HN ) (resid 45 and name HN ) 1.80 0.00  1.68 
assign (resid  21  and name HN ) (resid 45 and name HB1 ) 1.80 0.00  3.61 
assign (resid  21  and name HA ) (resid 21 and name HB# ) 1.80 0.00  2.16 
assign (resid  21  and name HA ) (resid 22 and name HN ) 1.80 0.00  0.75 
assign (resid  21  and name HA ) (resid 22 and name HD# ) 1.80 0.00  5.82 
assign (resid  21  and name HA ) (resid 31 and name HN ) 1.80 0.00  2.43 
assign (resid  21  and name HA ) (resid 32 and name HA ) 1.80 0.00  1.53 
assign (resid  21  and name HA ) (resid 32 and name HG2# ) 1.80 0.00  4.73 
assign (resid  21  and name HA ) (resid 33 and name HD# ) 1.80 0.00  5.82 
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assign (resid  21  and name HB# ) (resid 45 and name HD# ) 1.80 0.00  6.70 
assign (resid  21  and name HB# ) (resid 48 and name HA ) 1.80 0.00  3.65 
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assign (resid  21  and name HB# ) (resid 51 and name HB1 ) 1.80 0.00  4.58 
assign (resid  21  and name HD# ) (resid 21 and name HE# ) 1.80 0.00  4.87 
assign (resid  21  and name HD# ) (resid 22 and name HN ) 1.80 0.00  4.85 
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assign (resid  21  and name HE# ) (resid 32 and name HG2# ) 1.80 0.00  4.84 
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assign (resid  21  and name HE# ) (resid 48 and name HA ) 1.80 0.00  5.83 
assign (resid  21  and name HE# ) (resid 48 and name HB# ) 1.80 0.00  4.94 
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assign (resid  22  and name HN ) (resid 32 and name HA ) 1.80 0.00  2.71 
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assign (resid  22  and name HD# ) (resid 33 and name HA ) 1.80 0.00  5.82 
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assign (resid  22  and name HE# ) (resid 33 and name HB1 ) 1.80 0.00  5.82 
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assign (resid  23  and name HB2 ) (resid 23 and name HD# ) 1.80 0.00  3.67 
assign (resid  23  and name HB2 ) (resid 23 and name HE# ) 1.80 0.00  5.83 
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assign (resid  23  and name HB2 ) (resid 30 and name HA ) 1.80 0.00  3.70 
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assign (resid  23  and name HD# ) (resid 25 and name HA ) 1.80 0.00  5.84 
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assign (resid  23  and name HD# ) (resid 55 and name HB# ) 1.80 0.00  5.84 
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assign (resid  24  and name HB2 ) (resid 24 and name HB1 ) 1.80 0.00  0.60 
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assign (resid  24  and name HB2 ) (resid 29 and name HN ) 1.80 0.00  3.70 
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assign (resid  24  and name HB1 ) (resid 27 and name HB# ) 1.80 0.00  3.43 
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assign (resid  42  and name HA ) (resid 42 and name HG# ) 1.80 0.00  4.58 
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assign (resid  42  and name HB# ) (resid 42 and name HE ) 1.80 0.00  3.70 
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assign (resid  42  and name HB# ) (resid 42 and name HE ) 1.80 0.00  3.70 
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assign (resid  42  and name HG# ) (resid 42 and name HD# ) 1.80 0.00  3.37 
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assign (resid  43  and name HN ) (resid 43 and name HB1 ) 1.80 0.00  1.28 
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assign (resid  43  and name HB2 ) (resid 43 and name HD2# ) 1.80 0.00  3.54 
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assign (resid  43  and name HB1 ) (resid 43 and name HD2# ) 1.80 0.00  3.11 
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assign (resid  44  and name HN ) (resid 44 and name HB# ) 1.80 0.00  1.81 
assign (resid  44  and name HN ) (resid 45 and name HN ) 1.80 0.00  3.70 
assign (resid  44  and name HA ) (resid 44 and name HD2# ) 1.80 0.00  3.70 
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assign (resid  44  and name HA ) (resid 45 and name HD# ) 1.80 0.00  3.65 
assign (resid  44  and name HB# ) (resid 44 and name HD2# ) 1.80 0.00  1.90 
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assign (resid  44  and name HD2# ) (resid 44 and name HD2# ) 1.80 0.00  0.60 
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assign (resid  45  and name HN ) (resid 45 and name HD# ) 1.80 0.00  3.84 
assign (resid  45  and name HN ) (resid 51 and name HN ) 1.80 0.00  3.70 
assign (resid  45  and name HA ) (resid 45 and name HB2 ) 1.80 0.00  1.56 
assign (resid  45  and name HA ) (resid 45 and name HB1 ) 1.80 0.00  0.72 
assign (resid  45  and name HA ) (resid 45 and name HD# ) 1.80 0.00  4.58 
assign (resid  45  and name HA ) (resid 46 and name HN ) 1.80 0.00  0.85 
assign (resid  45  and name HA ) (resid 47 and name HN ) 1.80 0.00  2.09 
assign (resid  45  and name HB2 ) (resid 45 and name HB1 ) 1.80 0.00  0.60 
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assign (resid  45  and name HB2 ) (resid 47 and name HN ) 1.80 0.00  1.56 
assign (resid  45  and name HB1 ) (resid 45 and name HD# ) 1.80 0.00  3.31 
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assign (resid  45  and name HB1 ) (resid 51 and name HN ) 1.80 0.00  2.83 
assign (resid  45  and name HD# ) (resid 45 and name HZ ) 1.80 0.00  5.82 
assign (resid  45  and name HD# ) (resid 46 and name HN ) 1.80 0.00  5.82 
assign (resid  45  and name HD# ) (resid 51 and name HA ) 1.80 0.00  5.82 
assign (resid  45  and name HD# ) (resid 51 and name HB1 ) 1.80 0.00  5.82 
assign (resid  45  and name HE# ) (resid 45 and name HZ ) 1.80 0.00  4.71 
assign (resid  45  and name HE# ) (resid 54 and name HG2# ) 1.80 0.00  6.29 
assign (resid  45  and name HZ ) (resid 51 and name HA ) 1.80 0.00  3.70 
assign (resid  45  and name HZ ) (resid 54 and name HB ) 1.80 0.00  2.31 
assign (resid  45  and name HZ ) (resid 54 and name HG2# ) 1.80 0.00  2.37 
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assign (resid  46  and name HN ) (resid 46 and name HG# ) 1.80 0.00  3.02 
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assign (resid  46  and name HA ) (resid 46 and name HB# ) 1.80 0.00  1.97 
assign (resid  46  and name HA ) (resid 46 and name HG# ) 1.80 0.00  2.65 
assign (resid  46  and name HA ) (resid 47 and name HN ) 1.80 0.00  3.02 
assign (resid  46  and name HB# ) (resid 47 and name HN ) 1.80 0.00  3.18 
assign (resid  47  and name HN ) (resid 47 and name HA ) 1.80 0.00  2.15 
assign (resid  47  and name HN ) (resid 47 and name HB1 ) 1.80 0.00  2.37 
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assign (resid  47  and name HB2 ) (resid 51 and name HN ) 1.80 0.00  3.70 
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assign (resid  49  and name HN ) (resid 49 and name HB# ) 1.80 0.00  0.82 
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assign (resid  49  and name HA ) (resid 49 and name HG# ) 1.80 0.00  3.58 
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assign (resid  49  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.28 
assign (resid  49  and name HA ) (resid 52 and name HD1# ) 1.80 0.00  3.43 
assign (resid  49  and name HA ) (resid 52 and name HD2# ) 1.80 0.00  4.73 
assign (resid  49  and name HB# ) (resid 49 and name HG# ) 1.80 0.00  1.28 
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assign (resid  51  and name HN ) (resid 51 and name HB1 ) 1.80 0.00  0.91 
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assign (resid  51  and name HN ) (resid 52 and name HG ) 1.80 0.00  3.05 
assign (resid  51  and name HA ) (resid 52 and name HN ) 1.80 0.00  3.36 
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assign (resid  51  and name HA ) (resid 55 and name HN ) 1.80 0.00  1.44 
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assign (resid  52  and name HN ) (resid 52 and name HD1# ) 1.80 0.00  4.73 
assign (resid  52  and name HN ) (resid 52 and name HD2# ) 1.80 0.00  4.73 
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assign (resid  52  and name HA ) (resid 52 and name HD1# ) 1.80 0.00  3.30 
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assign (resid  52  and name HA ) (resid 56 and name HN ) 1.80 0.00  1.25 
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assign (resid  52  and name HD1# ) (resid 53 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD1# ) (resid 56 and name HA# ) 1.80 0.00  4.29 
assign (resid  52  and name HD1# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 53 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 56 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  53  and name HN ) (resid 53 and name HA ) 1.80 0.00  1.03 
assign (resid  53  and name HN ) (resid 53 and name HG# ) 1.80 0.00  2.58 
assign (resid  53  and name HN ) (resid 53 and name HD# ) 1.80 0.00  4.58 
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assign (resid  53  and name HD# ) (resid 53 and name HE ) 1.80 0.00  2.87 
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assign (resid  54  and name HN ) (resid 54 and name HB ) 1.80 0.00  0.91 
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assign (resid  54  and name HA ) (resid 54 and name HG2# ) 1.80 0.00  2.25 
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assign (resid  55  and name HA ) (resid 55 and name HB# ) 1.80 0.00  1.47 
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assign (resid  56  and name HN ) (resid 56 and name HA# ) 1.80 0.00  0.94 
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assign (resid  58  and name HN ) (resid 58 and name HB# ) 1.80 0.00  2.25 


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assign (resid  1  and name HB# ) (resid 1 and name HE ) 1.80 0.00  3.08 
assign (resid  1  and name HB# ) (resid 1 and name HE ) 1.80 0.00  3.70 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  1.96 
assign (resid  1  and name HG# ) (resid 1 and name HE ) 1.80 0.00  3.64 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  3.70 
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assign (resid  1  and name HG# ) (resid 1 and name HE ) 1.80 0.00  3.70 
assign (resid  1  and name HD# ) (resid 1 and name HE ) 1.80 0.00  1.44 
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assign (resid  1  and name HE ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  1  and name HE ) (resid 23 and name HE# ) 1.80 0.00  5.83 
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assign (resid  2  and name HA ) (resid 2 and name HB1 ) 1.80 0.00  0.97 
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assign (resid  2  and name HB2 ) (resid 2 and name HB1 ) 1.80 0.00  0.60 
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assign (resid  2  and name HB2 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB2 ) (resid 4 and name HE# ) 1.80 0.00  5.70 
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assign (resid  2  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB1 ) (resid 4 and name HE# ) 1.80 0.00  4.92 
assign (resid  2  and name HB1 ) (resid 4 and name HZ ) 1.80 0.00  3.70 
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assign (resid  2  and name HG1 ) (resid 2 and name HD2 ) 1.80 0.00  1.34 
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assign (resid  3  and name HA ) (resid 3 and name HB# ) 1.80 0.00  1.76 
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assign (resid  3  and name HA ) (resid 6 and name HG ) 1.80 0.00  0.94 
assign (resid  3  and name HB# ) (resid 4 and name HN ) 1.80 0.00  3.06 
assign (resid  3  and name HB# ) (resid 6 and name HG ) 1.80 0.00  3.68 
assign (resid  3  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  5.60 
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assign (resid  4  and name HN ) (resid 4 and name HD# ) 1.80 0.00  4.15 
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assign (resid  4  and name HA ) (resid 7 and name HG# ) 1.80 0.00  3.58 
assign (resid  4  and name HB2 ) (resid 4 and name HB1 ) 1.80 0.00  0.60 
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assign (resid  4  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  3.28 
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assign (resid  4  and name HD# ) (resid 4 and name HZ ) 1.80 0.00  4.92 
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assign (resid  4  and name HD# ) (resid 5 and name HA ) 1.80 0.00  5.82 
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assign (resid  4  and name HE# ) (resid 42 and name HB# ) 1.80 0.00  5.82 
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assign (resid  5  and name HA ) (resid 5 and name HB# ) 1.80 0.00  1.19 
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assign (resid  5  and name HB# ) (resid 23 and name HD# ) 1.80 0.00  4.72 
assign (resid  5  and name HB# ) (resid 23 and name HE# ) 1.80 0.00  4.93 
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assign (resid  6  and name HN ) (resid 6 and name HG ) 1.80 0.00  0.94 
assign (resid  6  and name HN ) (resid 6 and name HD1# ) 1.80 0.00  4.01 
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assign (resid  6  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  3.31 
assign (resid  6  and name HB# ) (resid 6 and name HD2# ) 1.80 0.00  3.99 
assign (resid  6  and name HB# ) (resid 7 and name HN ) 1.80 0.00  3.31 
assign (resid  6  and name HG ) (resid 6 and name HD1# ) 1.80 0.00  1.72 
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assign (resid  7  and name HA ) (resid 7 and name HB# ) 1.80 0.00  1.78 
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assign (resid  7  and name HB# ) (resid 7 and name HG# ) 1.80 0.00  2.69 
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assign (resid  8  and name HA ) (resid 8 and name HB# ) 1.80 0.00  2.62 
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assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.03 
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assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  1.81 
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assign (resid  9  and name HB2 ) (resid 9 and name HD# ) 1.80 0.00  4.58 
assign (resid  9  and name HB2 ) (resid 10 and name HN ) 1.80 0.00  1.37 
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assign (resid  50  and name HN ) (resid 50 and name HB# ) 1.80 0.00  2.31 
assign (resid  50  and name HN ) (resid 51 and name HN ) 1.80 0.00  1.56 
assign (resid  50  and name HA ) (resid 50 and name HB# ) 1.80 0.00  1.31 
assign (resid  50  and name HA ) (resid 51 and name HN ) 1.80 0.00  2.40 
assign (resid  51  and name HN ) (resid 51 and name HA ) 1.80 0.00  1.13 
assign (resid  51  and name HN ) (resid 51 and name HB1 ) 1.80 0.00  0.91 
assign (resid  51  and name HN ) (resid 52 and name HN ) 1.80 0.00  1.44 
assign (resid  51  and name HN ) (resid 52 and name HG ) 1.80 0.00  3.05 
assign (resid  51  and name HA ) (resid 52 and name HN ) 1.80 0.00  3.36 
assign (resid  51  and name HA ) (resid 54 and name HN ) 1.80 0.00  2.18 
assign (resid  51  and name HA ) (resid 55 and name HN ) 1.80 0.00  1.44 
assign (resid  51  and name HB2 ) (resid 51 and name HB1 ) 1.80 0.00  0.60 
assign (resid  51  and name HB1 ) (resid 52 and name HN ) 1.80 0.00  1.19 
assign (resid  52  and name HN ) (resid 52 and name HA ) 1.80 0.00  1.41 
assign (resid  52  and name HN ) (resid 52 and name HB# ) 1.80 0.00  1.31 
assign (resid  52  and name HN ) (resid 52 and name HG ) 1.80 0.00  0.79 
assign (resid  52  and name HN ) (resid 52 and name HD1# ) 1.80 0.00  4.73 
assign (resid  52  and name HN ) (resid 52 and name HD2# ) 1.80 0.00  4.73 
assign (resid  52  and name HN ) (resid 53 and name HN ) 1.80 0.00  1.13 
assign (resid  52  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.34 
assign (resid  52  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.13 
assign (resid  52  and name HA ) (resid 52 and name HD1# ) 1.80 0.00  3.30 
assign (resid  52  and name HA ) (resid 52 and name HD2# ) 1.80 0.00  2.68 
assign (resid  52  and name HA ) (resid 53 and name HN ) 1.80 0.00  3.14 
assign (resid  52  and name HA ) (resid 56 and name HN ) 1.80 0.00  1.25 
assign (resid  52  and name HB# ) (resid 52 and name HD1# ) 1.80 0.00  2.71 
assign (resid  52  and name HB# ) (resid 52 and name HD2# ) 1.80 0.00  2.22 
assign (resid  52  and name HB# ) (resid 53 and name HN ) 1.80 0.00  1.84 
assign (resid  52  and name HD1# ) (resid 53 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD1# ) (resid 56 and name HA# ) 1.80 0.00  4.29 
assign (resid  52  and name HD1# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 53 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 56 and name HN ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  53  and name HN ) (resid 53 and name HA ) 1.80 0.00  1.03 
assign (resid  53  and name HN ) (resid 53 and name HG# ) 1.80 0.00  2.58 
assign (resid  53  and name HN ) (resid 53 and name HD# ) 1.80 0.00  4.58 
assign (resid  53  and name HN ) (resid 54 and name HN ) 1.80 0.00  1.44 
assign (resid  53  and name HA ) (resid 53 and name HB# ) 1.80 0.00  1.22 
assign (resid  53  and name HA ) (resid 53 and name HB# ) 1.80 0.00  1.37 
assign (resid  53  and name HA ) (resid 53 and name HG# ) 1.80 0.00  2.06 
assign (resid  53  and name HA ) (resid 53 and name HD# ) 1.80 0.00  4.58 
assign (resid  53  and name HB# ) (resid 54 and name HN ) 1.80 0.00  1.93 
assign (resid  53  and name HG# ) (resid 53 and name HD# ) 1.80 0.00  3.65 
assign (resid  53  and name HD# ) (resid 53 and name HE ) 1.80 0.00  2.87 
assign (resid  54  and name HN ) (resid 54 and name HA ) 1.80 0.00  1.31 
assign (resid  54  and name HN ) (resid 54 and name HB ) 1.80 0.00  0.91 
assign (resid  54  and name HN ) (resid 55 and name HN ) 1.80 0.00  1.06 
assign (resid  54  and name HN ) (resid 56 and name HN ) 1.80 0.00  2.09 
assign (resid  54  and name HA ) (resid 54 and name HG2# ) 1.80 0.00  2.25 
assign (resid  54  and name HB ) (resid 54 and name HG2# ) 1.80 0.00  2.06 
assign (resid  54  and name HB ) (resid 55 and name HN ) 1.80 0.00  1.41 
assign (resid  55  and name HN ) (resid 55 and name HA ) 1.80 0.00  1.03 
assign (resid  55  and name HN ) (resid 55 and name HB# ) 1.80 0.00  1.37 
assign (resid  55  and name HN ) (resid 55 and name HB# ) 1.80 0.00  1.34 
assign (resid  55  and name HA ) (resid 55 and name HB# ) 1.80 0.00  1.47 
assign (resid  55  and name HA ) (resid 56 and name HN ) 1.80 0.00  3.42 
assign (resid  56  and name HN ) (resid 56 and name HA# ) 1.80 0.00  0.94 
assign (resid  56  and name HN ) (resid 56 and name HA# ) 1.80 0.00  1.13 
assign (resid  56  and name HA# ) (resid 57 and name HN ) 1.80 0.00  1.10 
assign (resid  56  and name HA# ) (resid 57 and name HN ) 1.80 0.00  0.97 
assign (resid  57  and name HN ) (resid 57 and name HA# ) 1.80 0.00  2.03 
assign (resid  57  and name HA# ) (resid 58 and name HN ) 1.80 0.00  2.53 
assign (resid  58  and name HN ) (resid 58 and name HA ) 1.80 0.00  1.41 
assign (resid  58  and name HN ) (resid 58 and name HB# ) 1.80 0.00  2.25 


assign (resid   5  and name  N  ) (resid  2  and name  O  )  2.70  0.00 0.4
assign (resid   5  and name  HN  ) (resid  2  and name  O  )  1.80  0.00 0.3
assign (resid   6  and name  N  ) (resid  3  and name  O  )  2.70  0.00 0.4
assign (resid   6  and name  HN  ) (resid  3  and name  O  )  1.80  0.00 0.3
assign (resid   7  and name  N  ) (resid  4  and name  O  )  2.70  0.00 0.4
assign (resid   7  and name  HN  ) (resid  4  and name  O  )  1.80  0.00 0.3
assign (resid   21  and name  N  ) (resid  45  and name  O  )  2.70  0.00 0.4
assign (resid   21  and name  HN  ) (resid  45  and name  O  )  1.80  0.00 0.3
assign (resid   22  and name  N  ) (resid  31  and name  O  )  2.70  0.00 0.4
assign (resid   22  and name  HN  ) (resid  31  and name  O  )  1.80  0.00 0.3
assign (resid   23  and name  N  ) (resid  43  and name  OD1  )  2.70  0.00 0.6
assign (resid   23  and name  HN  ) (resid  43  and name  OD1  )  1.80  0.00 0.5
assign (resid   24  and name  N  ) (resid  29  and name  O  )  2.70  0.00 0.4
assign (resid   24  and name  HN  ) (resid  29  and name  O  )  1.80  0.00 0.3
assign (resid   26  and name  N  ) (resid  24  and name  OD1  )  2.70  0.00 0.6
assign (resid   26  and name  HN  ) (resid  24  and name  OD1  )  1.80  0.00 0.5
assign (resid   31  and name  N  ) (resid  22  and name  O  )  2.70  0.00 0.4
assign (resid   31  and name  HN  ) (resid  22  and name  O  )  1.80  0.00 0.3
assign (resid   51  and name  N  ) (resid  47  and name  O  )  2.70  0.00 0.4
assign (resid   51  and name  HN  ) (resid  47  and name  O  )  1.80  0.00 0.3
assign (resid   52  and name  N  ) (resid  48  and name  O  )  2.70  0.00 0.4
assign (resid   52  and name  HN  ) (resid  48  and name  O  )  1.80  0.00 0.3
assign (resid   53  and name  N  ) (resid  49  and name  O  )  2.70  0.00 0.4
assign (resid   53  and name  HN  ) (resid  49  and name  O  )  1.80  0.00 0.3
assign (resid   54  and name  N  ) (resid  50  and name  O  )  2.70  0.00 0.4
assign (resid   54  and name  HN  ) (resid  50  and name  O  )  1.80  0.00 0.3
assign (resid   56  and name  N  ) (resid  52  and name  O  )  2.70  0.00 0.4
assign (resid   56  and name  HN  ) (resid  52  and name  O  )  1.80  0.00 0.3
assign (resid   37  and name  N  ) (resid  34  and name  O  )  2.70  0.00 0.4
assign (resid   37  and name  HN  ) (resid  34  and name  O  )  1.80  0.00 0.3
assign (resid   27  and name  N  ) (resid  24  and name  OD1  )  2.70  0.00 0.6
assign (resid   27  and name  HN  ) (resid  24  and name  OD1  )  1.80  0.00 0.5
assign (resid   28  and name  N  ) (resid  24  and name  O  )  2.70  0.00 0.6
assign (resid   28  and name  HN  ) (resid  24  and name  O  )  1.80  0.00 0.5


!!Phe-4    +60
assign (resid 4 and name n)  (resid 4 and name ca)
       (resid 4 and name cb) (resid 4 and name cg) 1.0  60.0 45.0 2
!!Phe-22   +60
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0  60.0 45.0 2
!!Tyr-23   +180
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg) 1.0  180.0 45.0 2
!!Asn-24   +180
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 180.0 45.0 2
!!Cys-30   -60
assign (resid 30 and name n)  (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name sg) 1.0 -60.0 45.0 2
!!Asn-43   +180
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg) 1.0 180.0 45.0 2
!!Phe-45   -60
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg) 1.0 -60.0 45.0 2
!!Ser-47   +60
assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name og) 1.0  60.0 45.0 2
!!Cys-51   +180
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name sg) 1.0 180.0 45.0 2


!!          ASP  3  HA-HN      4.291      8.768    2.8   4.31 
 assign (resid   2  and name c ) (resid   3  and name n )
        (resid   3  and name ca) (resid   3  and name c )   2.8 1.0
!!          CYSS 5  HA-HN      4.399      7.369    4.0   4.06
 assign (resid   4  and name c ) (resid   5  and name n )
        (resid   5  and name ca) (resid   5  and name c )   4.0 1.0
!!          LEU  6  HA-HN      4.348      7.559    7.8   4.62
 assign (resid   5  and name c ) (resid   6  and name n )
        (resid   6  and name ca) (resid   6  and name c )   7.8 1.0
!!          GLU  7  HA-HN      4.828      7.443    5.7   4.19
 assign (resid   6  and name c ) (resid   7  and name n )
        (resid   7  and name ca) (resid   7  and name c )   5.7 1.0
!!          TYR  10 HA-HN      4.888      8.186    7.5   4.75
 assign (resid   9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )   7.5 1.0
!!          ALA  13 HA-HN      4.888      8.186    7.2  11.06
 assign (resid  12  and name c ) (resid  13  and name n )
        (resid  13  and name ca) (resid  13  and name c )   7.2 1.0
!!          CYSS 14 HA-HN      4.488      7.768    6.2   4.96
 assign (resid  13  and name c ) (resid  14  and name n )
        (resid  14  and name ca) (resid  14  and name c )   6.2 1.0
!!          ARG+ 15 HA-HN      4.259      8.346    7.3   9.96
 assign (resid  14  and name c ) (resid  15  and name n )
        (resid  15  and name ca) (resid  15  and name c )   7.3 1.0
!!          ALA  16 HA-HN      4.237      8.184    6.1   9.27
 assign (resid  15  and name c ) (resid  16  and name n )
        (resid  16  and name ca) (resid  16  and name c )   6.1 1.0
!!          ALA  17 HA-HN      4.373      8.226    7.0   9.44
 assign (resid  16  and name c ) (resid  17  and name n )
        (resid  17  and name ca) (resid  17  and name c )   7.0 1.0
!!          ALA  18 HA-HN      4.373      8.226    5.5   4.58 
 assign (resid  17  and name c ) (resid  18  and name n )
        (resid  18  and name ca) (resid  18  and name c )   5.5 1.0
!!          ALA  19 HA-HN      4.365      8.276    6.3   6.94
 assign (resid  18  and name c ) (resid  19  and name n )
        (resid  19  and name ca) (resid  19  and name c )   6.3 1.0
!!          ARG+ 20 HA-HN      4.888      7.790    9.0   5.20
 assign (resid  19  and name c ) (resid  20  and name n )
        (resid  20  and name ca) (resid  20  and name c )   9.0 1.0
!!          TYR  21 HA-HN      5.320      9.011   10.2   4.93 
 assign (resid  20  and name c ) (resid  21  and name n )
        (resid  21  and name ca) (resid  21  and name c )   10.2 1.0
!!          PHE  22 HA-HN      5.178      9.199    8.7   6.07
 assign (resid  21  and name c ) (resid  22  and name n )
        (resid  22  and name ca) (resid  22  and name c )   8.7 1.0
!!          TYR  23 HA-HN      4.375     10.422    6.9   3.62
 assign (resid  22  and name c ) (resid  23  and name n )
        (resid  23  and name ca) (resid  23  and name c )   6.9 1.0
!!          ALA  25 HA-HN      3.821      8.553    3.8   4.02
 assign (resid  24  and name c ) (resid  25  and name n )
        (resid  25  and name ca) (resid  25  and name c )   3.8 1.0
!!          ALA  27 HA-HN      4.320      6.797    8.2   7.12
 assign (resid  26  and name c ) (resid  27  and name n )
        (resid  27  and name ca) (resid  27  and name c )   8.2 1.0
!!          CYSS 30 HA-HN      5.429      8.723    9.0   5.00 
 assign (resid  29  and name c ) (resid  30  and name n )
        (resid  30  and name ca) (resid  30  and name c )   9.0 1.0
!!          GLN  31 HA-HN      4.764      8.769    9.7   3.35
 assign (resid  30  and name c ) (resid  31  and name n )
        (resid  31  and name ca) (resid  31  and name c )   9.7 1.0
!!          THR  32 HA-HN      4.857      7.941    5.8   5.94
 assign (resid  31  and name c ) (resid  32  and name n )
        (resid  32  and name ca) (resid  32  and name c )   5.8 1.0
!!          ALA  34 HA-HN      4.407      8.651    6.0   4.57 
 assign (resid  33  and name c ) (resid  34  and name n )
        (resid  34  and name ca) (resid  34  and name c )   6.0 1.0
!!          ALA  37 HA-HN      4.430      7.742    4.7   4.96
 assign (resid  36  and name c ) (resid  37  and name n )
        (resid  37  and name ca) (resid  37  and name c )   4.7 1.0
!!          CYSS 38 HA-HN      4.351      8.527    7.3   4.65
 assign (resid  37  and name c ) (resid  38  and name n )
        (resid  38  and name ca) (resid  38  and name c )   7.3 1.0
!!          ALA  39 HA-HN      4.125      7.771    5.4   4.64
 assign (resid  38  and name c ) (resid  39  and name n )
        (resid  39  and name ca) (resid  39  and name c )   5.4 1.0
!!          LYS+ 41 HA-HN      4.125      7.771    4.3  15.78
 assign (resid  40  and name c ) (resid  41  and name n )
        (resid  41  and name ca) (resid  41  and name c )   4.3 1.0
!!          ARG+ 42 HA-HN      3.843      7.953    7.6   3.16
 assign (resid  41  and name c ) (resid  42  and name n )
        (resid  42  and name ca) (resid  42  and name c )   7.6 1.0
!!          ASN  43 HA-HN      5.005      7.687    7.6   3.67
 assign (resid  42  and name c ) (resid  43  and name n )
        (resid  43  and name ca) (resid  43  and name c )   7.6 1.0
!!          ASN  44 HA-HN      5.164      6.247    7.7   4.05 
 assign (resid  43  and name c ) (resid  44  and name n )
        (resid  44  and name ca) (resid  44  and name c )   7.7 1.0
!!          PHE  45 HA-HN      5.134     10.090   10.1   3.86 
 assign (resid  44  and name c ) (resid  45  and name n )
        (resid  45  and name ca) (resid  45  and name c )   10.1 1.0
!!          LYS+ 46 HA-HN      4.473      9.723    4.4   3.57 
 assign (resid  45  and name c ) (resid  46  and name n )
        (resid  46  and name ca) (resid  46  and name c )   4.4 1.0
!!          ALA  48 HA-HN      3.051      8.191    3.8   4.87
 assign (resid  47  and name c ) (resid  48  and name n )
        (resid  48  and name ca) (resid  48  and name c )   3.8 1.0
!!          GLU  49 HA-HN      3.051      8.191    4.3  26.00 
 assign (resid  48  and name c ) (resid  49  and name n )
        (resid  49  and name ca) (resid  49  and name c )   4.3 1.0
!!          ASP  50 HA-HN      3.051      8.191    4.6   4.58
 assign (resid  49  and name c ) (resid  50  and name n )
        (resid  50  and name ca) (resid  50  and name c )   4.6 1.0
!!          CYSS 51 HA-HN      1.809      6.973    4.8   3.79
 assign (resid  50  and name c ) (resid  51  and name n )
        (resid  51  and name ca) (resid  51  and name c )   4.8 1.0
!!          LEU  52 HA-HN      3.685      8.527    3.7   4.02 
 assign (resid  51  and name c ) (resid  52  and name n )
        (resid  52  and name ca) (resid  52  and name c )   3.7 1.0
!!          ARG+ 53 HA-HN      4.103      7.381    4.5  15.78 
 assign (resid  52  and name c ) (resid  53  and name n )
        (resid  53  and name ca) (resid  53  and name c )   4.5 1.0
!!          THR  54 HA-HN      4.103      7.381    6.6   7.37
 assign (resid  53  and name c ) (resid  54  and name n )
        (resid  54  and name ca) (resid  54  and name c )   6.6 1.0
!!          ALA  58 HA-HN      4.103      7.381    6.3   9.71
 assign (resid  57  and name c ) (resid  58  and name n )
        (resid  58  and name ca) (resid  58  and name c )   6.3 1.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1  -7.999 -12.782   0.364
    2   2H    ARG   1          2HT       ARG   1  -6.977 -12.686  -1.011
    3   3H    ARG   1          3HT       ARG   1  -8.557 -12.017  -1.065
    4    HA   ARG   1           HA       ARG   1  -6.236 -11.096   0.478
    5   1HB   ARG   1          2HB       ARG   1  -7.973  -9.530  -1.410
    6   2HB   ARG   1          1HB       ARG   1  -6.321  -9.203  -0.905
    7   1HG   ARG   1          2HG       ARG   1  -5.575 -11.177  -2.189
    8   2HG   ARG   1          1HG       ARG   1  -7.232 -11.393  -2.757
    9   1HD   ARG   1          2HD       ARG   1  -6.656 -10.076  -4.463
   10   2HD   ARG   1          1HD       ARG   1  -6.735  -8.747  -3.309
   11    HE   ARG   1           HE       ARG   1  -4.483  -8.531  -3.531
   12   1HH1  ARG   1          1HH1      ARG   1  -5.331 -11.810  -4.370
   13   2HH1  ARG   1          2HH1      ARG   1  -3.717 -12.244  -4.821
   14   1HH2  ARG   1          1HH2      ARG   1  -2.360  -9.099  -4.124
   15   2HH2  ARG   1          2HH2      ARG   1  -2.029 -10.705  -4.679
   16    HA   PRO   2           HA       PRO   2  -8.920  -9.731   3.707
   17   1HB   PRO   2          2HB       PRO   2  -7.282  -7.266   3.803
   18   2HB   PRO   2          1HB       PRO   2  -7.609  -8.457   5.073
   19   1HG   PRO   2          2HG       PRO   2  -5.220  -8.316   3.857
   20   2HG   PRO   2          1HG       PRO   2  -5.917  -9.859   4.380
   21   1HD   PRO   2          2HD       PRO   2  -5.726  -8.692   1.642
   22   2HD   PRO   2          1HD       PRO   2  -5.599 -10.385   2.165
   23    H    ASP   3           H        ASP   3 -10.794  -8.653   3.780
   24    HA   ASP   3           HA       ASP   3 -11.936  -7.379   1.656
   25   1HB   ASP   3          2HB       ASP   3 -12.629  -7.857   4.365
   26   2HB   ASP   3          1HB       ASP   3 -12.981  -6.162   4.035
   27    H    PHE   4           H        PHE   4 -10.691  -5.643   4.514
   28    HA   PHE   4           HA       PHE   4 -11.046  -3.077   3.606
   29   1HB   PHE   4          2HB       PHE   4  -9.131  -2.460   5.112
   30   2HB   PHE   4          1HB       PHE   4 -10.418  -3.396   5.872
   31    HD1  PHE   4           1HD      PHE   4  -6.927  -3.280   4.939
   32    HD2  PHE   4           2HD      PHE   4 -10.040  -5.778   6.407
   33    HE1  PHE   4           1HE      PHE   4  -5.251  -4.900   5.724
   34    HE2  PHE   4           2HE      PHE   4  -8.370  -7.403   7.191
   35    HZ   PHE   4           HZ       PHE   4  -5.973  -6.964   6.851
   36    H    CYS   5           H        CYS   5  -8.519  -5.316   2.686
   37    HA   CYS   5           HA       CYS   5  -6.669  -3.490   1.648
   38   1HB   CYS   5          2HB       CYS   5  -7.262  -6.333   0.890
   39   2HB   CYS   5          1HB       CYS   5  -5.987  -5.387   0.140
   40    H    LEU   6           H        LEU   6  -9.749  -4.446   0.549
   41    HA   LEU   6           HA       LEU   6  -9.331  -3.679  -2.212
   42   1HB   LEU   6          2HB       LEU   6 -12.005  -4.052  -0.887
   43   2HB   LEU   6          1HB       LEU   6 -11.587  -4.261  -2.576
   44    HG   LEU   6           HG       LEU   6 -10.589  -6.061  -0.371
   45   1HD1  LEU   6          1HD1      LEU   6 -12.868  -6.512  -2.290
   46   2HD1  LEU   6          2HD1      LEU   6 -13.030  -6.175  -0.566
   47   3HD1  LEU   6          3HD1      LEU   6 -12.251  -7.663  -1.105
   48   1HD2  LEU   6          1HD2      LEU   6 -10.385  -6.060  -3.360
   49   2HD2  LEU   6          2HD2      LEU   6 -10.288  -7.566  -2.445
   50   3HD2  LEU   6          3HD2      LEU   6  -9.116  -6.282  -2.156
   51    H    GLU   7           H        GLU   7  -9.903  -2.015   0.675
   52    HA   GLU   7           HA       GLU   7 -11.568   0.072  -0.318
   53   1HB   GLU   7          2HB       GLU   7  -9.735   0.005   2.084
   54   2HB   GLU   7          1HB       GLU   7 -10.881   1.292   1.734
   55   1HG   GLU   7          2HG       GLU   7 -12.439  -0.972   1.630
   56   2HG   GLU   7          1HG       GLU   7 -11.311  -1.309   2.941
   57    HA   PRO   8           HA       PRO   8  -8.157   2.177  -2.350
   58   1HB   PRO   8          2HB       PRO   8  -9.601   3.593  -4.079
   59   2HB   PRO   8          1HB       PRO   8  -9.449   1.841  -4.259
   60   1HG   PRO   8          2HG       PRO   8 -11.727   3.445  -3.190
   61   2HG   PRO   8          1HG       PRO   8 -11.756   1.979  -4.185
   62   1HD   PRO   8          2HD       PRO   8 -12.083   2.090  -1.405
   63   2HD   PRO   8          1HD       PRO   8 -11.728   0.634  -2.355
   64    HA   PRO   9           HA       PRO   9  -8.212   6.059  -0.187
   65   1HB   PRO   9          2HB       PRO   9  -6.409   7.480  -1.559
   66   2HB   PRO   9          1HB       PRO   9  -5.933   6.062  -0.614
   67   1HG   PRO   9          2HG       PRO   9  -6.424   6.290  -3.564
   68   2HG   PRO   9          1HG       PRO   9  -5.097   5.481  -2.718
   69   1HD   PRO   9          2HD       PRO   9  -7.274   4.161  -3.696
   70   2HD   PRO   9          1HD       PRO   9  -6.358   3.604  -2.280
   71    H    TYR  10           H        TYR  10  -9.267   7.985  -0.216
   72    HA   TYR  10           HA       TYR  10 -10.778   8.613  -2.619
   73   1HB   TYR  10          2HB       TYR  10 -11.992  10.226  -1.188
   74   2HB   TYR  10          1HB       TYR  10 -12.026   8.589  -0.553
   75    HD1  TYR  10           1HD      TYR  10 -11.236  12.012   0.121
   76    HD2  TYR  10           2HD      TYR  10 -10.433   8.022   1.367
   77    HE1  TYR  10           1HE      TYR  10 -10.465  12.854   2.301
   78    HE2  TYR  10           2HE      TYR  10  -9.658   8.854   3.548
   79    HH   TYR  10           HH       TYR  10 -10.257  11.198   4.942
   80    H    ALA  11           H        ALA  11 -10.389  10.253  -3.957
   81    HA   ALA  11           HA       ALA  11  -8.088  11.966  -3.378
   82   1HB   ALA  11          1HB       ALA  11  -8.655  10.543  -5.597
   83   2HB   ALA  11          2HB       ALA  11  -7.646  11.989  -5.589
   84   3HB   ALA  11          3HB       ALA  11  -9.349  12.104  -6.037
   85    H    GLY  12           H        GLY  12  -8.929  13.562  -2.074
   86   1HA   GLY  12          2HA       GLY  12 -11.029  15.242  -3.303
   87   2HA   GLY  12          1HA       GLY  12 -10.857  15.026  -1.567
   88    H    ALA  13           H        ALA  13  -9.328  16.213  -0.459
   89    HA   ALA  13           HA       ALA  13  -7.364  17.719  -1.765
   90   1HB   ALA  13          1HB       ALA  13  -8.146  19.907  -1.487
   91   2HB   ALA  13          2HB       ALA  13  -9.445  19.386  -0.412
   92   3HB   ALA  13          3HB       ALA  13  -9.525  19.018  -2.135
   93    H    CYS  14           H        CYS  14  -5.848  16.955  -0.380
   94    HA   CYS  14           HA       CYS  14  -5.660  18.179   2.186
   95   1HB   CYS  14          2HB       CYS  14  -5.529  16.009   3.466
   96   2HB   CYS  14          1HB       CYS  14  -7.142  16.465   2.933
   97    H    ARG  15           H        ARG  15  -3.578  18.458   2.663
   98    HA   ARG  15           HA       ARG  15  -1.577  17.319   0.923
   99   1HB   ARG  15          2HB       ARG  15  -0.943  18.966   3.354
  100   2HB   ARG  15          1HB       ARG  15  -0.083  18.876   1.825
  101   1HG   ARG  15          2HG       ARG  15  -2.844  20.032   1.983
  102   2HG   ARG  15          1HG       ARG  15  -1.416  20.996   2.355
  103   1HD   ARG  15          2HD       ARG  15  -0.544  20.704   0.167
  104   2HD   ARG  15          1HD       ARG  15  -1.740  19.465  -0.214
  105    HE   ARG  15           HE       ARG  15  -3.278  21.607   0.310
  106   1HH1  ARG  15          1HH1      ARG  15  -0.491  21.181  -1.750
  107   2HH1  ARG  15          2HH1      ARG  15  -0.986  22.395  -2.880
  108   1HH2  ARG  15          1HH2      ARG  15  -3.930  23.202  -1.175
  109   2HH2  ARG  15          2HH2      ARG  15  -2.939  23.544  -2.554
  110    H    ALA  16           H        ALA  16  -0.361  15.587   1.321
  111    HA   ALA  16           HA       ALA  16   0.469  14.808   3.934
  112   1HB   ALA  16          1HB       ALA  16  -1.873  14.012   3.974
  113   2HB   ALA  16          2HB       ALA  16  -0.696  12.708   4.123
  114   3HB   ALA  16          3HB       ALA  16  -1.517  12.983   2.588
  115    H    ALA  17           H        ALA  17   2.078  13.226   3.887
  116    HA   ALA  17           HA       ALA  17   2.665  11.765   1.556
  117   1HB   ALA  17          1HB       ALA  17   3.784  14.366   1.754
  118   2HB   ALA  17          2HB       ALA  17   4.036  13.156   0.496
  119   3HB   ALA  17          3HB       ALA  17   5.084  13.185   1.913
  120    H    ALA  18           H        ALA  18   2.135  10.941   4.058
  121    HA   ALA  18           HA       ALA  18   4.480  10.491   5.621
  122   1HB   ALA  18          1HB       ALA  18   1.810   9.089   5.691
  123   2HB   ALA  18          2HB       ALA  18   2.272  10.500   6.644
  124   3HB   ALA  18          3HB       ALA  18   3.074   8.953   6.913
  125    H    ALA  19           H        ALA  19   5.341   8.313   6.109
  126    HA   ALA  19           HA       ALA  19   5.948   6.928   3.661
  127   1HB   ALA  19          1HB       ALA  19   7.062   7.086   6.341
  128   2HB   ALA  19          2HB       ALA  19   7.855   6.751   4.802
  129   3HB   ALA  19          3HB       ALA  19   7.076   5.445   5.694
  130    H    ARG  20           H        ARG  20   3.244   6.671   4.095
  131    HA   ARG  20           HA       ARG  20   2.873   3.967   5.162
  132   1HB   ARG  20          2HB       ARG  20   0.789   6.014   4.381
  133   2HB   ARG  20          1HB       ARG  20   0.486   4.466   5.172
  134   1HG   ARG  20          2HG       ARG  20   2.036   5.374   7.025
  135   2HG   ARG  20          1HG       ARG  20   1.726   6.948   6.287
  136   1HD   ARG  20          2HD       ARG  20  -0.248   7.069   7.287
  137   2HD   ARG  20          1HD       ARG  20  -0.744   5.538   6.569
  138    HE   ARG  20           HE       ARG  20   0.569   4.546   8.538
  139   1HH1  ARG  20          1HH1      ARG  20  -1.280   7.512   8.675
  140   2HH1  ARG  20          2HH1      ARG  20  -1.580   7.386  10.373
  141   1HH2  ARG  20          1HH2      ARG  20   0.165   4.387  10.768
  142   2HH2  ARG  20          2HH2      ARG  20  -0.762   5.616  11.561
  143    H    TYR  21           H        TYR  21   1.348   2.551   3.966
  144    HA   TYR  21           HA       TYR  21   1.397   2.978   1.064
  145   1HB   TYR  21          2HB       TYR  21   2.190   0.396   2.424
  146   2HB   TYR  21          1HB       TYR  21   2.070   0.653   0.689
  147    HD1  TYR  21           1HD      TYR  21   3.941   1.713   3.719
  148    HD2  TYR  21           2HD      TYR  21   3.899   1.463  -0.527
  149    HE1  TYR  21           1HE      TYR  21   6.315   2.354   3.662
  150    HE2  TYR  21           2HE      TYR  21   6.270   2.104  -0.596
  151    HH   TYR  21           HH       TYR  21   7.924   3.194   0.738
  152    H    PHE  22           H        PHE  22  -0.168   1.695  -0.108
  153    HA   PHE  22           HA       PHE  22  -2.184   0.319   1.489
  154   1HB   PHE  22          2HB       PHE  22  -4.052   1.535   0.503
  155   2HB   PHE  22          1HB       PHE  22  -3.019   2.610   1.411
  156    HD1  PHE  22           1HD      PHE  22  -3.548   1.391  -2.065
  157    HD2  PHE  22           2HD      PHE  22  -2.396   4.612   0.460
  158    HE1  PHE  22           1HE      PHE  22  -3.397   2.869  -4.024
  159    HE2  PHE  22           2HE      PHE  22  -2.244   6.094  -1.495
  160    HZ   PHE  22           HZ       PHE  22  -2.743   5.223  -3.740
  161    H    TYR  23           H        TYR  23  -3.710  -0.894   0.172
  162    HA   TYR  23           HA       TYR  23  -2.299  -2.089  -2.082
  163   1HB   TYR  23          2HB       TYR  23  -3.330  -3.538  -0.376
  164   2HB   TYR  23          1HB       TYR  23  -4.925  -2.902  -0.802
  165    HD1  TYR  23           1HD      TYR  23  -6.203  -4.136  -2.288
  166    HD2  TYR  23           2HD      TYR  23  -1.969  -4.503  -2.451
  167    HE1  TYR  23           1HE      TYR  23  -6.430  -5.857  -4.022
  168    HE2  TYR  23           2HE      TYR  23  -2.184  -6.228  -4.192
  169    HH   TYR  23           HH       TYR  23  -5.160  -6.876  -5.780
  170    H    ASN  24           H        ASN  24  -3.051  -2.258  -4.166
  171    HA   ASN  24           HA       ASN  24  -5.260  -0.446  -4.906
  172   1HB   ASN  24          2HB       ASN  24  -3.083   0.332  -5.746
  173   2HB   ASN  24          1HB       ASN  24  -2.811  -1.232  -6.513
  174   1HD2  ASN  24          1HD2      ASN  24  -2.899   1.406  -7.685
  175   2HD2  ASN  24          2HD2      ASN  24  -4.140   1.349  -8.893
  176    H    ALA  25           H        ALA  25  -6.837  -2.079  -4.717
  177    HA   ALA  25           HA       ALA  25  -6.736  -4.656  -5.689
  178   1HB   ALA  25          1HB       ALA  25  -8.558  -4.010  -4.315
  179   2HB   ALA  25          2HB       ALA  25  -9.240  -4.466  -5.879
  180   3HB   ALA  25          3HB       ALA  25  -9.063  -2.763  -5.456
  181    H    LYS  26           H        LYS  26  -6.990  -1.705  -7.482
  182    HA   LYS  26           HA       LYS  26  -7.907  -3.034  -9.896
  183   1HB   LYS  26          2HB       LYS  26  -8.112  -0.444  -8.916
  184   2HB   LYS  26          1HB       LYS  26  -6.964  -0.305 -10.240
  185   1HG   LYS  26          2HG       LYS  26  -9.500  -1.806 -10.674
  186   2HG   LYS  26          1HG       LYS  26  -9.527  -0.043 -10.658
  187   1HD   LYS  26          2HD       LYS  26  -7.380  -0.560 -12.266
  188   2HD   LYS  26          1HD       LYS  26  -8.462  -1.894 -12.667
  189   1HE   LYS  26          2HE       LYS  26 -10.186   0.205 -12.655
  190   2HE   LYS  26          1HE       LYS  26  -8.707   0.981 -13.221
  191   1HZ   LYS  26          1HZ       LYS  26  -9.494   0.245 -15.192
  192   2HZ   LYS  26          2HZ       LYS  26 -10.356  -1.043 -14.517
  193   3HZ   LYS  26          3HZ       LYS  26  -8.685  -1.171 -14.742
  194    H    ALA  27           H        ALA  27  -4.949  -2.840  -8.414
  195    HA   ALA  27           HA       ALA  27  -3.600  -3.223 -10.988
  196   1HB   ALA  27          1HB       ALA  27  -3.362  -0.855  -9.621
  197   2HB   ALA  27          2HB       ALA  27  -2.248  -1.464 -10.844
  198   3HB   ALA  27          3HB       ALA  27  -1.921  -1.746  -9.134
  199    H    GLY  28           H        GLY  28  -4.181  -4.441  -7.968
  200   1HA   GLY  28          2HA       GLY  28  -3.341  -6.244  -6.863
  201   2HA   GLY  28          1HA       GLY  28  -2.351  -6.516  -8.272
  202    H    LEU  29           H        LEU  29  -1.537  -3.502  -7.394
  203    HA   LEU  29           HA       LEU  29   0.587  -4.446  -5.587
  204   1HB   LEU  29          2HB       LEU  29   0.733  -3.076  -8.106
  205   2HB   LEU  29          1HB       LEU  29   1.428  -2.066  -6.853
  206    HG   LEU  29           HG       LEU  29   2.499  -4.619  -6.412
  207   1HD1  LEU  29          1HD1      LEU  29   2.424  -3.924  -9.339
  208   2HD1  LEU  29          2HD1      LEU  29   1.847  -5.401  -8.564
  209   3HD1  LEU  29          3HD1      LEU  29   3.576  -5.053  -8.625
  210   1HD2  LEU  29          1HD2      LEU  29   3.919  -2.894  -5.954
  211   2HD2  LEU  29          2HD2      LEU  29   3.463  -1.987  -7.396
  212   3HD2  LEU  29          3HD2      LEU  29   4.543  -3.375  -7.531
  213    H    CYS  30           H        CYS  30   1.623  -2.514  -4.367
  214    HA   CYS  30           HA       CYS  30  -0.588  -0.990  -3.201
  215   1HB   CYS  30          2HB       CYS  30   2.170  -1.264  -2.027
  216   2HB   CYS  30          1HB       CYS  30   0.690  -0.763  -1.219
  217    H    GLN  31           H        GLN  31   0.305   1.131  -2.133
  218    HA   GLN  31           HA       GLN  31   2.144   2.555  -3.865
  219   1HB   GLN  31          2HB       GLN  31  -0.301   2.681  -4.759
  220   2HB   GLN  31          1HB       GLN  31  -0.540   3.811  -3.433
  221   1HG   GLN  31          2HG       GLN  31  -0.048   5.104  -5.336
  222   2HG   GLN  31          1HG       GLN  31   1.404   5.119  -4.337
  223   1HE2  GLN  31          1HE2      GLN  31   0.556   5.148  -7.379
  224   2HE2  GLN  31          2HE2      GLN  31   1.784   4.168  -8.098
  225    H    THR  32           H        THR  32   3.193   4.200  -2.866
  226    HA   THR  32           HA       THR  32   2.799   4.481  -0.016
  227    HB   THR  32           HB       THR  32   5.052   4.293  -1.167
  228    HG1  THR  32           1HG      THR  32   5.897   5.282   0.505
  229   1HG2  THR  32          1HG2      THR  32   5.076   7.224  -1.529
  230   2HG2  THR  32          2HG2      THR  32   4.329   6.254  -2.801
  231   3HG2  THR  32          3HG2      THR  32   6.008   5.968  -2.341
  232    H    PHE  33           H        PHE  33   0.721   5.503  -1.734
  233    HA   PHE  33           HA       PHE  33  -0.710   7.255  -1.833
  234   1HB   PHE  33          2HB       PHE  33   1.071   8.302   0.373
  235   2HB   PHE  33          1HB       PHE  33  -0.368   9.144  -0.183
  236    HD1  PHE  33           1HD      PHE  33   0.922   6.346   1.733
  237    HD2  PHE  33           2HD      PHE  33  -2.589   8.187   0.189
  238    HE1  PHE  33           1HE      PHE  33  -0.453   4.992   3.257
  239    HE2  PHE  33           2HE      PHE  33  -3.970   6.840   1.716
  240    HZ   PHE  33           HZ       PHE  33  -2.901   5.241   3.254
  241    H    ALA  34           H        ALA  34  -0.922   9.473  -2.588
  242    HA   ALA  34           HA       ALA  34   1.345  10.980  -3.429
  243   1HB   ALA  34          1HB       ALA  34   1.041  10.735  -5.852
  244   2HB   ALA  34          2HB       ALA  34  -0.173   9.487  -5.569
  245   3HB   ALA  34          3HB       ALA  34   1.504   9.210  -5.096
  246    H    TYR  35           H        TYR  35   0.574  12.785  -5.024
  247    HA   TYR  35           HA       TYR  35  -0.735  14.703  -5.089
  248   1HB   TYR  35          2HB       TYR  35  -2.038  12.535  -6.292
  249   2HB   TYR  35          1HB       TYR  35  -3.271  13.376  -5.363
  250    HD1  TYR  35           1HD      TYR  35  -2.569  13.073  -8.503
  251    HD2  TYR  35           2HD      TYR  35  -2.296  16.187  -5.612
  252    HE1  TYR  35           1HE      TYR  35  -2.746  14.748 -10.294
  253    HE2  TYR  35           2HE      TYR  35  -2.480  17.866  -7.397
  254    HH   TYR  35           HH       TYR  35  -1.848  17.551 -10.290
  255    H    GLY  36           H        GLY  36  -3.288  15.206  -4.424
  256   1HA   GLY  36          2HA       GLY  36  -3.079  15.624  -1.606
  257   2HA   GLY  36          1HA       GLY  36  -4.449  16.058  -2.618
  258    H    ALA  37           H        ALA  37  -3.377  12.732  -2.662
  259    HA   ALA  37           HA       ALA  37  -5.907  11.791  -1.832
  260   1HB   ALA  37          1HB       ALA  37  -4.194  10.593  -3.288
  261   2HB   ALA  37          2HB       ALA  37  -5.048   9.620  -2.089
  262   3HB   ALA  37          3HB       ALA  37  -3.392  10.147  -1.780
  263    H    CYS  38           H        CYS  38  -6.707  11.322   0.108
  264    HA   CYS  38           HA       CYS  38  -5.138  11.955   2.454
  265   1HB   CYS  38          2HB       CYS  38  -7.992  11.613   1.808
  266   2HB   CYS  38          1HB       CYS  38  -7.530  11.045   3.408
  267    H    ALA  39           H        ALA  39  -4.882  10.544   4.259
  268    HA   ALA  39           HA       ALA  39  -4.113   7.902   3.539
  269   1HB   ALA  39          1HB       ALA  39  -3.641   9.651   5.685
  270   2HB   ALA  39          2HB       ALA  39  -2.909   8.074   5.396
  271   3HB   ALA  39          3HB       ALA  39  -4.367   8.202   6.379
  272    H    ALA  40           H        ALA  40  -5.187   6.020   3.681
  273    HA   ALA  40           HA       ALA  40  -8.006   6.079   4.283
  274   1HB   ALA  40          1HB       ALA  40  -7.593   3.495   3.806
  275   2HB   ALA  40          2HB       ALA  40  -6.124   4.136   3.070
  276   3HB   ALA  40          3HB       ALA  40  -7.703   4.688   2.511
  277    H    LYS  41           H        LYS  41  -9.071   4.787   5.836
  278    HA   LYS  41           HA       LYS  41  -7.851   4.732   8.373
  279   1HB   LYS  41          2HB       LYS  41 -10.443   4.456   7.372
  280   2HB   LYS  41          1HB       LYS  41 -10.113   2.922   8.165
  281   1HG   LYS  41          2HG       LYS  41 -10.023   3.849  10.235
  282   2HG   LYS  41          1HG       LYS  41  -9.415   5.395   9.639
  283   1HD   LYS  41          2HD       LYS  41 -11.472   6.252   9.528
  284   2HD   LYS  41          1HD       LYS  41 -12.078   4.849   8.646
  285   1HE   LYS  41          2HE       LYS  41 -12.625   3.704  10.607
  286   2HE   LYS  41          1HE       LYS  41 -11.597   4.733  11.603
  287   1HZ   LYS  41          1HZ       LYS  41 -13.124   6.551  11.284
  288   2HZ   LYS  41          2HZ       LYS  41 -13.965   5.214  11.889
  289   3HZ   LYS  41          3HZ       LYS  41 -14.088   5.620  10.251
  290    H    ARG  42           H        ARG  42  -9.063   1.931   6.518
  291    HA   ARG  42           HA       ARG  42  -7.357   0.153   8.020
  292   1HB   ARG  42          2HB       ARG  42  -9.231  -0.456   5.730
  293   2HB   ARG  42          1HB       ARG  42  -8.463  -1.636   6.782
  294   1HG   ARG  42          2HG       ARG  42 -10.400   0.463   7.727
  295   2HG   ARG  42          1HG       ARG  42 -10.841  -1.198   7.315
  296   1HD   ARG  42          2HD       ARG  42 -10.426  -1.684   9.452
  297   2HD   ARG  42          1HD       ARG  42  -8.720  -1.518   9.041
  298    HE   ARG  42           HE       ARG  42  -8.658   0.454  10.212
  299   1HH1  ARG  42          1HH1      ARG  42 -11.985  -0.474   9.714
  300   2HH1  ARG  42          2HH1      ARG  42 -12.614   0.733  10.785
  301   1HH2  ARG  42          1HH2      ARG  42  -9.482   2.040  11.629
  302   2HH2  ARG  42          2HH2      ARG  42 -11.193   2.161  11.871
  303    H    ASN  43           H        ASN  43  -7.665   1.265   4.668
  304    HA   ASN  43           HA       ASN  43  -5.558  -0.359   3.681
  305   1HB   ASN  43          2HB       ASN  43  -7.605   1.193   2.608
  306   2HB   ASN  43          1HB       ASN  43  -6.139   2.046   2.129
  307   1HD2  ASN  43          1HD2      ASN  43  -7.381  -1.189   2.425
  308   2HD2  ASN  43          2HD2      ASN  43  -6.766  -1.788   0.912
  309    H    ASN  44           H        ASN  44  -4.101   0.343   5.514
  310    HA   ASN  44           HA       ASN  44  -2.229   2.299   4.498
  311   1HB   ASN  44          2HB       ASN  44  -2.189   3.643   6.563
  312   2HB   ASN  44          1HB       ASN  44  -3.760   3.723   5.770
  313   1HD2  ASN  44          1HD2      ASN  44  -3.511   4.426   8.386
  314   2HD2  ASN  44          2HD2      ASN  44  -4.289   3.256   9.389
  315    H    PHE  45           H        PHE  45  -0.481   0.972   4.500
  316    HA   PHE  45           HA       PHE  45   0.077  -0.563   6.946
  317   1HB   PHE  45          2HB       PHE  45   0.936  -0.974   4.077
  318   2HB   PHE  45          1HB       PHE  45   1.634  -1.862   5.433
  319    HD1  PHE  45           1HD      PHE  45  -1.425  -1.273   3.488
  320    HD2  PHE  45           2HD      PHE  45   0.438  -3.621   6.509
  321    HE1  PHE  45           1HE      PHE  45  -3.291  -2.868   3.392
  322    HE2  PHE  45           2HE      PHE  45  -1.424  -5.229   6.414
  323    HZ   PHE  45           HZ       PHE  45  -3.294  -4.853   4.852
  324    H    LYS  46           H        LYS  46   2.053  -0.389   7.954
  325    HA   LYS  46           HA       LYS  46   3.382   2.082   7.788
  326   1HB   LYS  46          2HB       LYS  46   4.084  -0.514   9.144
  327   2HB   LYS  46          1HB       LYS  46   5.101   0.915   9.269
  328   1HG   LYS  46          2HG       LYS  46   3.155   2.152  10.188
  329   2HG   LYS  46          1HG       LYS  46   2.247   0.638  10.183
  330   1HD   LYS  46          2HD       LYS  46   3.777  -0.354  11.742
  331   2HD   LYS  46          1HD       LYS  46   4.858   1.038  11.637
  332   1HE   LYS  46          2HE       LYS  46   3.723   1.454  13.606
  333   2HE   LYS  46          1HE       LYS  46   2.783   2.380  12.436
  334   1HZ   LYS  46          1HZ       LYS  46   1.145   1.265  13.548
  335   2HZ   LYS  46          2HZ       LYS  46   2.087  -0.114  13.818
  336   3HZ   LYS  46          3HZ       LYS  46   1.433   0.176  12.286
  337    H    SER  47           H        SER  47   3.738  -0.757   5.931
  338    HA   SER  47           HA       SER  47   5.936   0.430   4.482
  339   1HB   SER  47          2HB       SER  47   6.864  -2.175   4.714
  340   2HB   SER  47          1HB       SER  47   7.535  -0.754   5.516
  341    HG   SER  47           HG       SER  47   6.258  -1.210   7.311
  342    H    ALA  48           H        ALA  48   6.175  -0.373   2.388
  343    HA   ALA  48           HA       ALA  48   3.846  -1.372   1.178
  344   1HB   ALA  48          1HB       ALA  48   4.957  -0.554  -0.581
  345   2HB   ALA  48          2HB       ALA  48   5.961  -2.002  -0.553
  346   3HB   ALA  48          3HB       ALA  48   6.478  -0.556   0.312
  347    H    GLU  49           H        GLU  49   6.755  -2.950   2.353
  348    HA   GLU  49           HA       GLU  49   6.254  -5.511   1.303
  349   1HB   GLU  49          2HB       GLU  49   8.413  -4.842   2.333
  350   2HB   GLU  49          1HB       GLU  49   7.627  -4.780   3.904
  351   1HG   GLU  49          2HG       GLU  49   7.242  -7.135   3.882
  352   2HG   GLU  49          1HG       GLU  49   7.788  -7.259   2.211
  353    H    ASP  50           H        ASP  50   5.203  -3.801   4.181
  354    HA   ASP  50           HA       ASP  50   3.848  -5.951   5.421
  355   1HB   ASP  50          2HB       ASP  50   4.408  -3.323   6.081
  356   2HB   ASP  50          1HB       ASP  50   2.658  -3.324   5.888
  357    H    CYS  51           H        CYS  51   2.755  -3.379   3.173
  358    HA   CYS  51           HA       CYS  51   0.034  -4.125   3.141
  359   1HB   CYS  51          2HB       CYS  51   0.587  -2.014   2.212
  360   2HB   CYS  51          1HB       CYS  51   1.828  -2.705   1.167
  361    H    LEU  52           H        LEU  52   2.657  -4.937   0.860
  362    HA   LEU  52           HA       LEU  52   1.227  -6.694  -0.755
  363   1HB   LEU  52          2HB       LEU  52   4.157  -6.757  -0.030
  364   2HB   LEU  52          1HB       LEU  52   3.431  -7.649  -1.354
  365    HG   LEU  52           HG       LEU  52   3.546  -4.642  -1.119
  366   1HD1  LEU  52          1HD1      LEU  52   5.133  -4.758  -2.944
  367   2HD1  LEU  52          2HD1      LEU  52   5.015  -6.518  -2.963
  368   3HD1  LEU  52          3HD1      LEU  52   5.720  -5.697  -1.571
  369   1HD2  LEU  52          1HD2      LEU  52   1.536  -5.549  -2.293
  370   2HD2  LEU  52          2HD2      LEU  52   2.625  -6.324  -3.443
  371   3HD2  LEU  52          3HD2      LEU  52   2.591  -4.566  -3.309
  372    H    ARG  53           H        ARG  53   2.917  -7.296   2.295
  373    HA   ARG  53           HA       ARG  53   2.802 -10.094   2.246
  374   1HB   ARG  53          2HB       ARG  53   3.972  -8.417   3.907
  375   2HB   ARG  53          1HB       ARG  53   2.488  -8.616   4.826
  376   1HG   ARG  53          2HG       ARG  53   2.962 -10.757   5.392
  377   2HG   ARG  53          1HG       ARG  53   3.836 -11.077   3.890
  378   1HD   ARG  53          2HD       ARG  53   5.549 -11.062   5.436
  379   2HD   ARG  53          1HD       ARG  53   5.566  -9.397   4.855
  380    HE   ARG  53           HE       ARG  53   4.077 -10.067   7.293
  381   1HH1  ARG  53          1HH1      ARG  53   6.735  -8.394   5.753
  382   2HH1  ARG  53          2HH1      ARG  53   7.065  -7.402   7.132
  383   1HH2  ARG  53          1HH2      ARG  53   4.521  -8.764   9.098
  384   2HH2  ARG  53          2HH2      ARG  53   5.813  -7.612   9.028
  385    H    THR  54           H        THR  54   0.589  -7.785   3.815
  386    HA   THR  54           HA       THR  54  -1.312  -9.847   4.444
  387    HB   THR  54           HB       THR  54  -1.696  -6.854   4.581
  388    HG1  THR  54           1HG      THR  54  -1.018  -7.133   6.768
  389   1HG2  THR  54          1HG2      THR  54  -2.917  -8.262   6.713
  390   2HG2  THR  54          2HG2      THR  54  -3.427  -9.004   5.196
  391   3HG2  THR  54          3HG2      THR  54  -3.672  -7.277   5.460
  392    H    CYS  55           H        CYS  55  -1.457  -6.947   2.361
  393    HA   CYS  55           HA       CYS  55  -3.903  -7.797   1.165
  394   1HB   CYS  55          2HB       CYS  55  -2.006  -5.574   0.398
  395   2HB   CYS  55          1HB       CYS  55  -3.604  -5.822  -0.299
  396    H    GLY  56           H        GLY  56  -0.519  -7.766   0.109
  397   1HA   GLY  56          2HA       GLY  56  -1.224  -8.840  -2.492
  398   2HA   GLY  56          1HA       GLY  56   0.401  -8.515  -1.899
  399    H    GLY  57           H        GLY  57   1.141 -10.537  -2.669
  400   1HA   GLY  57          2HA       GLY  57   1.725 -12.566  -1.185
  401   2HA   GLY  57          1HA       GLY  57   0.008 -12.909  -1.331
  402    H    ALA  58           H        ALA  58  -0.612 -12.537  -3.876
  403    HA   ALA  58           HA       ALA  58   0.667 -14.747  -5.176
  404   1HB   ALA  58          1HB       ALA  58  -1.828 -13.764  -5.287
  405   2HB   ALA  58          2HB       ALA  58  -1.130 -14.780  -6.547
  406   3HB   ALA  58          3HB       ALA  58  -1.152 -13.027  -6.740
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1  -7.150 -13.488   1.395
    2   2H    ARG   1          2HT       ARG   1  -6.540 -13.829  -0.173
    3   3H    ARG   1          3HT       ARG   1  -8.234 -13.823   0.111
    4    HA   ARG   1           HA       ARG   1  -6.364 -11.570   0.037
    5   1HB   ARG   1          2HB       ARG   1  -7.320 -12.307  -2.066
    6   2HB   ARG   1          1HB       ARG   1  -8.938 -12.268  -1.379
    7   1HG   ARG   1          2HG       ARG   1  -8.736  -9.835  -1.093
    8   2HG   ARG   1          1HG       ARG   1  -7.137  -9.897  -1.837
    9   1HD   ARG   1          2HD       ARG   1  -9.823 -10.364  -3.079
   10   2HD   ARG   1          1HD       ARG   1  -8.536  -9.277  -3.591
   11    HE   ARG   1           HE       ARG   1  -7.476 -11.046  -4.650
   12   1HH1  ARG   1          1HH1      ARG   1 -10.251 -12.190  -2.860
   13   2HH1  ARG   1          2HH1      ARG   1 -10.252 -13.745  -3.619
   14   1HH2  ARG   1          1HH2      ARG   1  -7.481 -13.091  -5.644
   15   2HH2  ARG   1          2HH2      ARG   1  -8.681 -14.257  -5.197
   16    HA   PRO   2           HA       PRO   2  -8.810 -10.205   3.584
   17   1HB   PRO   2          2HB       PRO   2  -7.148  -7.803   3.429
   18   2HB   PRO   2          1HB       PRO   2  -7.303  -8.977   4.741
   19   1HG   PRO   2          2HG       PRO   2  -5.082  -8.752   3.174
   20   2HG   PRO   2          1HG       PRO   2  -5.579 -10.250   3.961
   21   1HD   PRO   2          2HD       PRO   2  -5.805  -9.454   1.140
   22   2HD   PRO   2          1HD       PRO   2  -5.566 -11.060   1.839
   23    H    ASP   3           H        ASP   3 -10.678  -9.163   3.504
   24    HA   ASP   3           HA       ASP   3 -11.755  -8.005   1.266
   25   1HB   ASP   3          2HB       ASP   3 -12.503  -7.424   4.136
   26   2HB   ASP   3          1HB       ASP   3 -13.517  -7.110   2.730
   27    H    PHE   4           H        PHE   4 -10.425  -6.184   4.052
   28    HA   PHE   4           HA       PHE   4 -10.992  -3.645   3.168
   29   1HB   PHE   4          2HB       PHE   4  -8.806  -2.989   4.392
   30   2HB   PHE   4          1HB       PHE   4 -10.132  -3.697   5.317
   31    HD1  PHE   4           1HD      PHE   4  -6.739  -4.119   4.097
   32    HD2  PHE   4           2HD      PHE   4  -9.962  -5.990   6.145
   33    HE1  PHE   4           1HE      PHE   4  -5.199  -5.839   4.941
   34    HE2  PHE   4           2HE      PHE   4  -8.428  -7.716   6.989
   35    HZ   PHE   4           HZ       PHE   4  -6.043  -7.639   6.388
   36    H    CYS   5           H        CYS   5  -8.636  -5.816   1.879
   37    HA   CYS   5           HA       CYS   5  -6.870  -4.017   0.660
   38   1HB   CYS   5          2HB       CYS   5  -7.730  -6.738  -0.319
   39   2HB   CYS   5          1HB       CYS   5  -6.298  -5.857  -0.834
   40    H    LEU   6           H        LEU   6 -10.115  -4.806  -0.016
   41    HA   LEU   6           HA       LEU   6 -10.050  -3.983  -2.788
   42   1HB   LEU   6          2HB       LEU   6 -12.518  -4.348  -1.106
   43   2HB   LEU   6          1HB       LEU   6 -12.361  -4.488  -2.846
   44    HG   LEU   6           HG       LEU   6 -11.079  -6.410  -0.902
   45   1HD1  LEU   6          1HD1      LEU   6 -12.951  -7.622  -0.783
   46   2HD1  LEU   6          2HD1      LEU   6 -13.342  -7.361  -2.483
   47   3HD1  LEU   6          3HD1      LEU   6 -13.776  -6.145  -1.281
   48   1HD2  LEU   6          1HD2      LEU   6 -10.471  -7.672  -2.727
   49   2HD2  LEU   6          2HD2      LEU   6 -10.275  -6.039  -3.364
   50   3HD2  LEU   6          3HD2      LEU   6 -11.717  -6.974  -3.761
   51    H    GLU   7           H        GLU   7 -10.183  -2.388   0.193
   52    HA   GLU   7           HA       GLU   7 -11.906  -0.233  -0.514
   53   1HB   GLU   7          2HB       GLU   7  -9.723  -0.248   1.575
   54   2HB   GLU   7          1HB       GLU   7 -11.068   0.878   1.472
   55   1HG   GLU   7          2HG       GLU   7 -12.592  -1.116   1.758
   56   2HG   GLU   7          1HG       GLU   7 -11.148  -2.036   2.174
   57    HA   PRO   8           HA       PRO   8  -8.779   1.870  -2.945
   58   1HB   PRO   8          2HB       PRO   8 -10.413   3.502  -4.273
   59   2HB   PRO   8          1HB       PRO   8 -10.412   1.765  -4.599
   60   1HG   PRO   8          2HG       PRO   8 -12.361   3.401  -3.049
   61   2HG   PRO   8          1HG       PRO   8 -12.647   1.994  -4.088
   62   1HD   PRO   8          2HD       PRO   8 -12.452   1.982  -1.282
   63   2HD   PRO   8          1HD       PRO   8 -12.407   0.562  -2.346
   64    HA   PRO   9           HA       PRO   9  -8.131   5.504  -0.477
   65   1HB   PRO   9          2HB       PRO   9  -6.343   6.825  -2.000
   66   2HB   PRO   9          1HB       PRO   9  -5.930   5.331  -1.151
   67   1HG   PRO   9          2HG       PRO   9  -6.662   5.738  -4.025
   68   2HG   PRO   9          1HG       PRO   9  -5.376   4.736  -3.332
   69   1HD   PRO   9          2HD       PRO   9  -7.770   3.732  -4.157
   70   2HD   PRO   9          1HD       PRO   9  -6.802   3.008  -2.849
   71    H    TYR  10           H        TYR  10  -7.769   8.031  -1.052
   72    HA   TYR  10           HA       TYR  10  -9.583   8.954  -3.105
   73   1HB   TYR  10          2HB       TYR  10 -11.076  10.117  -1.618
   74   2HB   TYR  10          1HB       TYR  10 -11.018   8.426  -1.140
   75    HD1  TYR  10           1HD      TYR  10  -8.868   8.066   0.612
   76    HD2  TYR  10           2HD      TYR  10 -11.289  11.539   0.175
   77    HE1  TYR  10           1HE      TYR  10  -8.337   8.719   2.922
   78    HE2  TYR  10           2HE      TYR  10 -10.765  12.201   2.485
   79    HH   TYR  10           HH       TYR  10  -8.941  11.784   4.152
   80    H    ALA  11           H        ALA  11  -9.508  11.264  -3.410
   81    HA   ALA  11           HA       ALA  11  -6.951  12.374  -2.507
   82   1HB   ALA  11          1HB       ALA  11  -7.808  12.099  -5.031
   83   2HB   ALA  11          2HB       ALA  11  -6.711  13.384  -4.519
   84   3HB   ALA  11          3HB       ALA  11  -8.438  13.710  -4.682
   85    H    GLY  12           H        GLY  12  -8.010  12.892  -0.439
   86   1HA   GLY  12          2HA       GLY  12  -9.981  15.033  -0.506
   87   2HA   GLY  12          1HA       GLY  12  -9.365  14.231   0.930
   88    H    ALA  13           H        ALA  13  -9.299  16.467   1.719
   89    HA   ALA  13           HA       ALA  13  -7.375  18.223   0.653
   90   1HB   ALA  13          1HB       ALA  13  -7.933  19.618   2.668
   91   2HB   ALA  13          2HB       ALA  13  -9.082  18.355   3.109
   92   3HB   ALA  13          3HB       ALA  13  -9.284  19.242   1.597
   93    H    CYS  14           H        CYS  14  -5.526  16.758   0.800
   94    HA   CYS  14           HA       CYS  14  -4.030  17.213   3.223
   95   1HB   CYS  14          2HB       CYS  14  -4.231  14.335   2.396
   96   2HB   CYS  14          1HB       CYS  14  -3.676  15.015   3.919
   97    H    ARG  15           H        ARG  15  -2.147  17.877   2.484
   98    HA   ARG  15           HA       ARG  15  -1.214  17.092  -0.146
   99   1HB   ARG  15          2HB       ARG  15   0.174  18.924   1.806
  100   2HB   ARG  15          1HB       ARG  15   0.411  18.829   0.066
  101   1HG   ARG  15          2HG       ARG  15  -1.813  19.715  -0.314
  102   2HG   ARG  15          1HG       ARG  15  -2.116  19.745   1.424
  103   1HD   ARG  15          2HD       ARG  15  -1.508  21.931   1.020
  104   2HD   ARG  15          1HD       ARG  15   0.030  21.214   1.498
  105    HE   ARG  15           HE       ARG  15   0.820  21.549  -0.629
  106   1HH1  ARG  15          1HH1      ARG  15  -2.642  21.997  -0.610
  107   2HH1  ARG  15          2HH1      ARG  15  -2.694  22.631  -2.220
  108   1HH2  ARG  15          1HH2      ARG  15   0.752  22.384  -2.747
  109   2HH2  ARG  15          2HH2      ARG  15  -0.769  22.851  -3.433
  110    H    ALA  16           H        ALA  16  -1.180  15.188   2.186
  111    HA   ALA  16           HA       ALA  16   1.587  14.763   2.805
  112   1HB   ALA  16          1HB       ALA  16  -0.616  14.056   4.093
  113   2HB   ALA  16          2HB       ALA  16   0.880  13.133   4.233
  114   3HB   ALA  16          3HB       ALA  16  -0.398  12.581   3.150
  115    H    ALA  17           H        ALA  17   2.987  13.251   1.947
  116    HA   ALA  17           HA       ALA  17   2.152  11.323   0.074
  117   1HB   ALA  17          1HB       ALA  17   4.124  12.855  -1.351
  118   2HB   ALA  17          2HB       ALA  17   2.714  13.846  -0.979
  119   3HB   ALA  17          3HB       ALA  17   2.520  12.340  -1.876
  120    H    ALA  18           H        ALA  18   3.416  11.134   2.460
  121    HA   ALA  18           HA       ALA  18   5.580   9.450   1.864
  122   1HB   ALA  18          1HB       ALA  18   7.256  10.909   1.662
  123   2HB   ALA  18          2HB       ALA  18   7.085  11.199   3.394
  124   3HB   ALA  18          3HB       ALA  18   6.261  12.246   2.239
  125    H    ALA  19           H        ALA  19   4.084   8.250   3.241
  126    HA   ALA  19           HA       ALA  19   4.915   8.325   5.982
  127   1HB   ALA  19          1HB       ALA  19   2.294   8.462   6.578
  128   2HB   ALA  19          2HB       ALA  19   2.362   9.550   5.192
  129   3HB   ALA  19          3HB       ALA  19   3.383   9.849   6.598
  130    H    ARG  20           H        ARG  20   2.194   7.152   3.962
  131    HA   ARG  20           HA       ARG  20   2.887   4.422   4.779
  132   1HB   ARG  20          2HB       ARG  20   0.096   5.573   4.922
  133   2HB   ARG  20          1HB       ARG  20   0.530   3.889   5.218
  134   1HG   ARG  20          2HG       ARG  20   2.138   5.555   6.878
  135   2HG   ARG  20          1HG       ARG  20   0.451   6.036   7.053
  136   1HD   ARG  20          2HD       ARG  20   1.059   3.138   7.079
  137   2HD   ARG  20          1HD       ARG  20   1.556   4.076   8.484
  138    HE   ARG  20           HE       ARG  20  -1.133   3.406   7.704
  139   1HH1  ARG  20          1HH1      ARG  20   0.863   5.598   9.545
  140   2HH1  ARG  20          2HH1      ARG  20  -0.412   6.053  10.624
  141   1HH2  ARG  20          1HH2      ARG  20  -2.814   4.003   9.123
  142   2HH2  ARG  20          2HH2      ARG  20  -2.499   5.147  10.385
  143    H    TYR  21           H        TYR  21   1.137   2.910   3.604
  144    HA   TYR  21           HA       TYR  21   0.960   3.752   0.780
  145   1HB   TYR  21          2HB       TYR  21   1.809   1.015   1.751
  146   2HB   TYR  21          1HB       TYR  21   1.648   1.522   0.074
  147    HD1  TYR  21           1HD      TYR  21   3.488   2.454   3.191
  148    HD2  TYR  21           2HD      TYR  21   3.536   2.210  -1.055
  149    HE1  TYR  21           1HE      TYR  21   5.852   3.133   3.184
  150    HE2  TYR  21           2HE      TYR  21   5.898   2.890  -1.075
  151    HH   TYR  21           HH       TYR  21   7.534   3.914   0.237
  152    H    PHE  22           H        PHE  22  -0.386   2.024  -0.460
  153    HA   PHE  22           HA       PHE  22  -2.554   0.886   1.131
  154   1HB   PHE  22          2HB       PHE  22  -4.260   1.905  -0.388
  155   2HB   PHE  22          1HB       PHE  22  -3.480   3.040   0.692
  156    HD1  PHE  22           1HD      PHE  22  -1.657   4.524  -0.222
  157    HD2  PHE  22           2HD      PHE  22  -4.165   2.155  -2.711
  158    HE1  PHE  22           1HE      PHE  22  -1.017   5.890  -2.164
  159    HE2  PHE  22           2HE      PHE  22  -3.533   3.521  -4.656
  160    HZ   PHE  22           HZ       PHE  22  -1.955   5.389  -4.383
  161    H    TYR  23           H        TYR  23  -3.723  -0.707   0.040
  162    HA   TYR  23           HA       TYR  23  -2.216  -1.931  -2.134
  163   1HB   TYR  23          2HB       TYR  23  -2.982  -3.351  -0.302
  164   2HB   TYR  23          1HB       TYR  23  -4.664  -2.950  -0.668
  165    HD1  TYR  23           1HD      TYR  23  -5.853  -4.285  -2.170
  166    HD2  TYR  23           2HD      TYR  23  -1.606  -4.461  -2.175
  167    HE1  TYR  23           1HE      TYR  23  -5.942  -6.155  -3.764
  168    HE2  TYR  23           2HE      TYR  23  -1.680  -6.333  -3.767
  169    HH   TYR  23           HH       TYR  23  -4.574  -8.001  -4.510
  170    H    ASN  24           H        ASN  24  -2.817  -2.052  -4.186
  171    HA   ASN  24           HA       ASN  24  -5.303  -0.689  -4.974
  172   1HB   ASN  24          2HB       ASN  24  -3.232   0.292  -5.861
  173   2HB   ASN  24          1HB       ASN  24  -2.803  -1.255  -6.591
  174   1HD2  ASN  24          1HD2      ASN  24  -3.344   1.439  -7.706
  175   2HD2  ASN  24          2HD2      ASN  24  -4.530   1.163  -8.938
  176    H    ALA  25           H        ALA  25  -6.756  -2.392  -4.803
  177    HA   ALA  25           HA       ALA  25  -6.397  -5.016  -5.610
  178   1HB   ALA  25          1HB       ALA  25  -8.348  -4.024  -4.325
  179   2HB   ALA  25          2HB       ALA  25  -8.744  -5.261  -5.521
  180   3HB   ALA  25          3HB       ALA  25  -9.013  -3.558  -5.893
  181    H    LYS  26           H        LYS  26  -6.988  -2.179  -7.531
  182    HA   LYS  26           HA       LYS  26  -7.695  -3.640  -9.916
  183   1HB   LYS  26          2HB       LYS  26  -8.028  -1.024  -9.032
  184   2HB   LYS  26          1HB       LYS  26  -6.864  -0.886 -10.342
  185   1HG   LYS  26          2HG       LYS  26  -8.900  -2.628 -11.227
  186   2HG   LYS  26          1HG       LYS  26  -9.687  -1.240 -10.474
  187   1HD   LYS  26          2HD       LYS  26  -7.428  -0.766 -12.361
  188   2HD   LYS  26          1HD       LYS  26  -9.009  -1.199 -13.017
  189   1HE   LYS  26          2HE       LYS  26  -8.602   1.041 -11.048
  190   2HE   LYS  26          1HE       LYS  26  -8.533   1.273 -12.794
  191   1HZ   LYS  26          1HZ       LYS  26 -10.839   0.046 -12.649
  192   2HZ   LYS  26          2HZ       LYS  26 -10.715   1.717 -12.421
  193   3HZ   LYS  26          3HZ       LYS  26 -10.832   0.689 -11.084
  194    H    ALA  27           H        ALA  27  -4.799  -3.251  -8.368
  195    HA   ALA  27           HA       ALA  27  -3.341  -3.638 -10.886
  196   1HB   ALA  27          1HB       ALA  27  -2.605  -1.658  -8.746
  197   2HB   ALA  27          2HB       ALA  27  -2.979  -1.336 -10.439
  198   3HB   ALA  27          3HB       ALA  27  -1.496  -2.191 -10.010
  199    H    GLY  28           H        GLY  28  -4.008  -4.817  -7.859
  200   1HA   GLY  28          2HA       GLY  28  -3.176  -6.581  -6.694
  201   2HA   GLY  28          1HA       GLY  28  -2.123  -6.855  -8.056
  202    H    LEU  29           H        LEU  29  -1.389  -3.813  -7.226
  203    HA   LEU  29           HA       LEU  29   0.598  -4.654  -5.223
  204   1HB   LEU  29          2HB       LEU  29   0.932  -3.237  -7.794
  205   2HB   LEU  29          1HB       LEU  29   1.859  -2.604  -6.449
  206    HG   LEU  29           HG       LEU  29   2.395  -5.271  -6.248
  207   1HD1  LEU  29          1HD1      LEU  29   1.220  -5.830  -8.283
  208   2HD1  LEU  29          2HD1      LEU  29   2.954  -6.036  -8.521
  209   3HD1  LEU  29          3HD1      LEU  29   2.136  -4.619  -9.179
  210   1HD2  LEU  29          1HD2      LEU  29   4.122  -3.691  -6.076
  211   2HD2  LEU  29          2HD2      LEU  29   3.812  -3.051  -7.690
  212   3HD2  LEU  29          3HD2      LEU  29   4.527  -4.651  -7.499
  213    H    CYS  30           H        CYS  30   1.605  -2.705  -4.086
  214    HA   CYS  30           HA       CYS  30  -0.579  -0.910  -3.316
  215   1HB   CYS  30          2HB       CYS  30   1.936  -0.982  -1.740
  216   2HB   CYS  30          1HB       CYS  30   0.276  -0.787  -1.203
  217    H    GLN  31           H        GLN  31   0.097   1.292  -2.618
  218    HA   GLN  31           HA       GLN  31   2.403   2.381  -3.993
  219   1HB   GLN  31          2HB       GLN  31  -0.403   2.835  -4.864
  220   2HB   GLN  31          1HB       GLN  31   0.676   4.222  -4.871
  221   1HG   GLN  31          2HG       GLN  31   1.173   3.540  -6.935
  222   2HG   GLN  31          1HG       GLN  31   2.208   2.371  -6.119
  223   1HE2  GLN  31          1HE2      GLN  31  -1.303   2.570  -6.599
  224   2HE2  GLN  31          2HE2      GLN  31  -1.462   1.018  -7.340
  225    H    THR  32           H        THR  32   2.984   4.483  -3.281
  226    HA   THR  32           HA       THR  32   2.130   5.048  -0.593
  227    HB   THR  32           HB       THR  32   4.465   5.489  -2.052
  228    HG1  THR  32           1HG      THR  32   3.702   6.556   0.459
  229   1HG2  THR  32          1HG2      THR  32   3.431   7.638  -2.861
  230   2HG2  THR  32          2HG2      THR  32   4.968   7.788  -2.009
  231   3HG2  THR  32          3HG2      THR  32   3.460   8.182  -1.184
  232    H    PHE  33           H        PHE  33   0.859   6.685   0.116
  233    HA   PHE  33           HA       PHE  33  -1.197   7.672  -1.390
  234   1HB   PHE  33          2HB       PHE  33   0.145   8.868   1.039
  235   2HB   PHE  33          1HB       PHE  33  -1.340   9.519   0.350
  236    HD1  PHE  33           1HD      PHE  33   0.169   6.658   2.076
  237    HD2  PHE  33           2HD      PHE  33  -3.430   8.382   0.602
  238    HE1  PHE  33           1HE      PHE  33  -1.136   5.003   3.345
  239    HE2  PHE  33           2HE      PHE  33  -4.741   6.731   1.874
  240    HZ   PHE  33           HZ       PHE  33  -3.595   5.042   3.246
  241    H    ALA  34           H        ALA  34  -0.966   8.687  -3.298
  242    HA   ALA  34           HA       ALA  34   1.184  10.487  -3.859
  243   1HB   ALA  34          1HB       ALA  34  -0.015  10.856  -6.002
  244   2HB   ALA  34          2HB       ALA  34  -1.329   9.846  -5.399
  245   3HB   ALA  34          3HB       ALA  34   0.275   9.153  -5.643
  246    H    TYR  35           H        TYR  35   0.288  12.616  -5.131
  247    HA   TYR  35           HA       TYR  35  -0.210  14.541  -3.281
  248   1HB   TYR  35          2HB       TYR  35  -1.234  15.880  -5.193
  249   2HB   TYR  35          1HB       TYR  35   0.376  15.228  -5.473
  250    HD1  TYR  35           1HD      TYR  35   0.706  13.358  -7.030
  251    HD2  TYR  35           2HD      TYR  35  -3.133  15.097  -6.452
  252    HE1  TYR  35           1HE      TYR  35  -0.092  12.261  -9.080
  253    HE2  TYR  35           2HE      TYR  35  -3.942  14.004  -8.501
  254    HH   TYR  35           HH       TYR  35  -3.084  11.715  -9.829
  255    H    GLY  36           H        GLY  36  -1.971  15.462  -2.284
  256   1HA   GLY  36          2HA       GLY  36  -4.033  15.668  -1.399
  257   2HA   GLY  36          1HA       GLY  36  -4.594  15.230  -2.987
  258    H    ALA  37           H        ALA  37  -2.895  12.589  -2.256
  259    HA   ALA  37           HA       ALA  37  -5.191  11.049  -1.582
  260   1HB   ALA  37          1HB       ALA  37  -2.317  10.154  -1.519
  261   2HB   ALA  37          2HB       ALA  37  -3.289  10.247  -2.987
  262   3HB   ALA  37          3HB       ALA  37  -3.754   9.147  -1.691
  263    H    CYS  38           H        CYS  38  -6.059  11.273   0.421
  264    HA   CYS  38           HA       CYS  38  -4.307  11.558   2.723
  265   1HB   CYS  38          2HB       CYS  38  -6.750  12.626   2.199
  266   2HB   CYS  38          1HB       CYS  38  -7.202  11.239   3.186
  267    H    ALA  39           H        ALA  39  -5.009  10.261   4.734
  268    HA   ALA  39           HA       ALA  39  -4.551   7.510   4.161
  269   1HB   ALA  39          1HB       ALA  39  -5.192   8.920   6.742
  270   2HB   ALA  39          2HB       ALA  39  -3.600   8.454   6.144
  271   3HB   ALA  39          3HB       ALA  39  -4.761   7.214   6.622
  272    H    ALA  40           H        ALA  40  -5.866   5.760   4.297
  273    HA   ALA  40           HA       ALA  40  -8.739   6.311   4.253
  274   1HB   ALA  40          1HB       ALA  40  -7.241   4.833   2.561
  275   2HB   ALA  40          2HB       ALA  40  -8.969   4.589   2.819
  276   3HB   ALA  40          3HB       ALA  40  -7.801   3.582   3.673
  277    H    LYS  41           H        LYS  41 -10.074   4.355   5.131
  278    HA   LYS  41           HA       LYS  41  -9.739   4.305   7.919
  279   1HB   LYS  41          2HB       LYS  41 -11.698   3.453   6.041
  280   2HB   LYS  41          1HB       LYS  41 -11.364   2.098   7.110
  281   1HG   LYS  41          2HG       LYS  41 -11.742   3.639   9.041
  282   2HG   LYS  41          1HG       LYS  41 -12.286   4.854   7.882
  283   1HD   LYS  41          2HD       LYS  41 -14.082   3.424   7.152
  284   2HD   LYS  41          1HD       LYS  41 -13.486   2.100   8.155
  285   1HE   LYS  41          2HE       LYS  41 -14.225   3.064  10.104
  286   2HE   LYS  41          1HE       LYS  41 -14.137   4.700   9.451
  287   1HZ   LYS  41          1HZ       LYS  41 -16.071   2.913   8.211
  288   2HZ   LYS  41          2HZ       LYS  41 -16.198   4.560   8.578
  289   3HZ   LYS  41          3HZ       LYS  41 -16.416   3.404   9.794
  290    H    ARG  42           H        ARG  42  -9.946   1.311   6.024
  291    HA   ARG  42           HA       ARG  42  -8.129   0.035   7.879
  292   1HB   ARG  42          2HB       ARG  42  -9.604  -1.190   5.549
  293   2HB   ARG  42          1HB       ARG  42  -8.833  -2.042   6.881
  294   1HG   ARG  42          2HG       ARG  42 -11.071  -0.099   7.335
  295   2HG   ARG  42          1HG       ARG  42 -11.365  -1.794   6.945
  296   1HD   ARG  42          2HD       ARG  42  -9.596  -0.929   9.218
  297   2HD   ARG  42          1HD       ARG  42 -11.330  -1.182   9.407
  298    HE   ARG  42           HE       ARG  42  -9.299  -3.199   9.146
  299   1HH1  ARG  42          1HH1      ARG  42 -12.688  -2.483   8.724
  300   2HH1  ARG  42          2HH1      ARG  42 -13.182  -4.137   8.848
  301   1HH2  ARG  42          1HH2      ARG  42  -9.947  -5.377   9.311
  302   2HH2  ARG  42          2HH2      ARG  42 -11.626  -5.781   9.181
  303    H    ASN  43           H        ASN  43  -8.207   0.936   4.474
  304    HA   ASN  43           HA       ASN  43  -5.894  -0.531   3.746
  305   1HB   ASN  43          2HB       ASN  43  -7.919   0.840   2.433
  306   2HB   ASN  43          1HB       ASN  43  -6.483   1.805   2.095
  307   1HD2  ASN  43          1HD2      ASN  43  -7.518  -1.513   2.298
  308   2HD2  ASN  43          2HD2      ASN  43  -6.682  -2.080   0.883
  309    H    ASN  44           H        ASN  44  -4.457   0.164   5.500
  310    HA   ASN  44           HA       ASN  44  -2.810   2.375   4.656
  311   1HB   ASN  44          2HB       ASN  44  -2.894   3.575   6.799
  312   2HB   ASN  44          1HB       ASN  44  -4.476   3.536   6.025
  313   1HD2  ASN  44          1HD2      ASN  44  -6.083   2.166   6.867
  314   2HD2  ASN  44          2HD2      ASN  44  -6.013   1.603   8.499
  315    H    PHE  45           H        PHE  45  -1.051   1.009   4.468
  316    HA   PHE  45           HA       PHE  45  -0.252  -0.476   6.873
  317   1HB   PHE  45          2HB       PHE  45   0.567  -0.776   3.972
  318   2HB   PHE  45          1HB       PHE  45   1.272  -1.693   5.305
  319    HD1  PHE  45           1HD      PHE  45  -0.103  -3.307   6.564
  320    HD2  PHE  45           2HD      PHE  45  -1.573  -1.320   3.098
  321    HE1  PHE  45           1HE      PHE  45  -1.922  -4.958   6.395
  322    HE2  PHE  45           2HE      PHE  45  -3.394  -2.968   2.921
  323    HZ   PHE  45           HZ       PHE  45  -3.570  -4.787   4.571
  324    H    LYS  46           H        LYS  46   1.711  -0.096   7.838
  325    HA   LYS  46           HA       LYS  46   2.817   2.463   7.652
  326   1HB   LYS  46          2HB       LYS  46   2.976   0.462   9.459
  327   2HB   LYS  46          1HB       LYS  46   4.565   0.330   8.718
  328   1HG   LYS  46          2HG       LYS  46   3.854   3.076   9.355
  329   2HG   LYS  46          1HG       LYS  46   3.859   2.021  10.769
  330   1HD   LYS  46          2HD       LYS  46   6.139   1.203   9.847
  331   2HD   LYS  46          1HD       LYS  46   6.104   2.693   8.901
  332   1HE   LYS  46          2HE       LYS  46   6.324   4.029  10.742
  333   2HE   LYS  46          1HE       LYS  46   5.532   2.872  11.811
  334   1HZ   LYS  46          1HZ       LYS  46   8.090   2.060  10.682
  335   2HZ   LYS  46          2HZ       LYS  46   7.458   1.801  12.230
  336   3HZ   LYS  46          3HZ       LYS  46   8.139   3.298  11.836
  337    H    SER  47           H        SER  47   3.409  -0.301   5.719
  338    HA   SER  47           HA       SER  47   5.334   1.162   4.158
  339   1HB   SER  47          2HB       SER  47   6.717  -1.230   4.428
  340   2HB   SER  47          1HB       SER  47   7.160   0.313   5.160
  341    HG   SER  47           HG       SER  47   6.991  -0.903   6.905
  342    H    ALA  48           H        ALA  48   5.689   0.251   2.087
  343    HA   ALA  48           HA       ALA  48   3.495  -1.093   0.989
  344   1HB   ALA  48          1HB       ALA  48   5.457  -1.633  -0.819
  345   2HB   ALA  48          2HB       ALA  48   6.158  -0.262   0.039
  346   3HB   ALA  48          3HB       ALA  48   4.579  -0.106  -0.734
  347    H    GLU  49           H        GLU  49   6.578  -2.262   2.218
  348    HA   GLU  49           HA       GLU  49   6.308  -4.943   1.398
  349   1HB   GLU  49          2HB       GLU  49   8.413  -3.923   2.302
  350   2HB   GLU  49          1HB       GLU  49   7.673  -3.913   3.897
  351   1HG   GLU  49          2HG       GLU  49   8.671  -5.889   4.151
  352   2HG   GLU  49          1HG       GLU  49   7.348  -6.511   3.166
  353    H    ASP  50           H        ASP  50   5.183  -3.086   4.149
  354    HA   ASP  50           HA       ASP  50   4.081  -5.236   5.624
  355   1HB   ASP  50          2HB       ASP  50   4.481  -2.588   6.125
  356   2HB   ASP  50          1HB       ASP  50   2.742  -2.617   5.855
  357    H    CYS  51           H        CYS  51   2.698  -2.965   3.224
  358    HA   CYS  51           HA       CYS  51   0.057  -3.923   3.345
  359   1HB   CYS  51          2HB       CYS  51   0.303  -1.897   2.208
  360   2HB   CYS  51          1HB       CYS  51   1.689  -2.471   1.282
  361    H    LEU  52           H        LEU  52   2.651  -4.726   1.031
  362    HA   LEU  52           HA       LEU  52   1.331  -6.682  -0.409
  363   1HB   LEU  52          2HB       LEU  52   4.252  -6.460   0.310
  364   2HB   LEU  52          1HB       LEU  52   3.623  -7.610  -0.855
  365    HG   LEU  52           HG       LEU  52   3.511  -4.603  -1.081
  366   1HD1  LEU  52          1HD1      LEU  52   5.704  -5.255  -1.564
  367   2HD1  LEU  52          2HD1      LEU  52   4.918  -5.153  -3.140
  368   3HD1  LEU  52          3HD1      LEU  52   5.182  -6.725  -2.386
  369   1HD2  LEU  52          1HD2      LEU  52   2.600  -5.031  -3.330
  370   2HD2  LEU  52          2HD2      LEU  52   1.520  -5.582  -2.049
  371   3HD2  LEU  52          3HD2      LEU  52   2.496  -6.748  -2.943
  372    H    ARG  53           H        ARG  53   3.181  -7.037   2.607
  373    HA   ARG  53           HA       ARG  53   3.094  -9.826   2.769
  374   1HB   ARG  53          2HB       ARG  53   4.013  -7.724   4.380
  375   2HB   ARG  53          1HB       ARG  53   2.867  -8.601   5.383
  376   1HG   ARG  53          2HG       ARG  53   4.513 -10.008   5.852
  377   2HG   ARG  53          1HG       ARG  53   4.381 -10.592   4.192
  378   1HD   ARG  53          2HD       ARG  53   6.437  -9.857   3.787
  379   2HD   ARG  53          1HD       ARG  53   5.906  -8.212   4.125
  380    HE   ARG  53           HE       ARG  53   6.918  -8.334   6.182
  381   1HH1  ARG  53          1HH1      ARG  53   6.743 -11.534   4.797
  382   2HH1  ARG  53          2HH1      ARG  53   7.765 -12.246   6.000
  383   1HH2  ARG  53          1HH2      ARG  53   8.261  -9.270   7.765
  384   2HH2  ARG  53          2HH2      ARG  53   8.626 -10.961   7.686
  385    H    THR  54           H        THR  54   0.906  -7.436   4.249
  386    HA   THR  54           HA       THR  54  -0.895  -9.469   5.182
  387    HB   THR  54           HB       THR  54  -1.523  -6.533   5.015
  388    HG1  THR  54           1HG      THR  54   0.182  -7.870   6.834
  389   1HG2  THR  54          1HG2      THR  54  -2.240  -8.651   7.029
  390   2HG2  THR  54          2HG2      THR  54  -3.320  -7.922   5.840
  391   3HG2  THR  54          3HG2      THR  54  -2.655  -6.940   7.146
  392    H    CYS  55           H        CYS  55  -1.285  -6.791   2.855
  393    HA   CYS  55           HA       CYS  55  -3.727  -7.921   1.875
  394   1HB   CYS  55          2HB       CYS  55  -2.304  -5.373   1.620
  395   2HB   CYS  55          1HB       CYS  55  -3.109  -5.881   0.139
  396    H    GLY  56           H        GLY  56  -0.413  -7.638   0.683
  397   1HA   GLY  56          2HA       GLY  56  -1.009  -8.505  -1.961
  398   2HA   GLY  56          1HA       GLY  56   0.583  -8.473  -1.219
  399    H    GLY  57           H        GLY  57  -0.676 -10.490  -2.956
  400   1HA   GLY  57          2HA       GLY  57   0.155 -12.802  -1.477
  401   2HA   GLY  57          1HA       GLY  57  -1.584 -12.763  -1.726
  402    H    ALA  58           H        ALA  58   0.673 -11.444  -4.045
  403    HA   ALA  58           HA       ALA  58  -0.379 -13.134  -6.112
  404   1HB   ALA  58          1HB       ALA  58   1.712 -11.899  -7.297
  405   2HB   ALA  58          2HB       ALA  58   1.400 -10.794  -5.959
  406   3HB   ALA  58          3HB       ALA  58   0.116 -11.174  -7.107
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1  -8.730 -12.220  -1.192
    2   2H    ARG   1          2HT       ARG   1  -7.485 -13.099  -0.405
    3   3H    ARG   1          3HT       ARG   1  -7.232 -12.476  -1.984
    4    HA   ARG   1           HA       ARG   1  -6.180 -11.244  -0.122
    5   1HB   ARG   1          2HB       ARG   1  -6.746  -9.089  -1.173
    6   2HB   ARG   1          1HB       ARG   1  -6.467 -10.347  -2.370
    7   1HG   ARG   1          2HG       ARG   1  -9.262 -10.076  -1.547
    8   2HG   ARG   1          1HG       ARG   1  -8.592  -8.651  -2.343
    9   1HD   ARG   1          2HD       ARG   1  -7.790 -10.159  -4.173
   10   2HD   ARG   1          1HD       ARG   1  -8.685 -11.469  -3.405
   11    HE   ARG   1           HE       ARG   1 -10.478  -9.391  -3.767
   12   1HH1  ARG   1          1HH1      ARG   1  -8.508 -11.462  -5.769
   13   2HH1  ARG   1          2HH1      ARG   1  -9.595 -11.407  -7.115
   14   1HH2  ARG   1          1HH2      ARG   1 -11.912  -9.318  -5.540
   15   2HH2  ARG   1          2HH2      ARG   1 -11.527 -10.189  -6.987
   16    HA   PRO   2           HA       PRO   2  -8.681 -10.186   3.353
   17   1HB   PRO   2          2HB       PRO   2  -7.164  -7.682   3.623
   18   2HB   PRO   2          1HB       PRO   2  -7.274  -9.054   4.732
   19   1HG   PRO   2          2HG       PRO   2  -5.037  -8.539   3.316
   20   2HG   PRO   2          1HG       PRO   2  -5.552 -10.189   3.710
   21   1HD   PRO   2          2HD       PRO   2  -5.800  -8.689   1.135
   22   2HD   PRO   2          1HD       PRO   2  -5.417 -10.402   1.415
   23    H    ASP   3           H        ASP   3 -10.571  -9.194   3.631
   24    HA   ASP   3           HA       ASP   3 -11.927  -7.846   1.714
   25   1HB   ASP   3          2HB       ASP   3 -12.509  -8.661   4.249
   26   2HB   ASP   3          1HB       ASP   3 -12.599  -6.908   4.426
   27    H    PHE   4           H        PHE   4 -10.547  -6.148   4.541
   28    HA   PHE   4           HA       PHE   4 -11.102  -3.582   3.754
   29   1HB   PHE   4          2HB       PHE   4  -9.120  -2.902   5.137
   30   2HB   PHE   4          1HB       PHE   4 -10.284  -3.947   5.951
   31    HD1  PHE   4           1HD      PHE   4  -9.711  -6.264   6.455
   32    HD2  PHE   4           2HD      PHE   4  -6.904  -3.624   4.654
   33    HE1  PHE   4           1HE      PHE   4  -7.890  -7.811   7.036
   34    HE2  PHE   4           2HE      PHE   4  -5.079  -5.168   5.228
   35    HZ   PHE   4           HZ       PHE   4  -5.570  -7.264   6.421
   36    H    CYS   5           H        CYS   5  -8.523  -5.627   2.565
   37    HA   CYS   5           HA       CYS   5  -6.883  -3.644   1.446
   38   1HB   CYS   5          2HB       CYS   5  -7.337  -6.475   0.505
   39   2HB   CYS   5          1HB       CYS   5  -6.037  -5.419  -0.033
   40    H    LEU   6           H        LEU   6  -9.965  -4.796   0.559
   41    HA   LEU   6           HA       LEU   6  -9.816  -4.010  -2.213
   42   1HB   LEU   6          2HB       LEU   6 -12.342  -4.507  -0.659
   43   2HB   LEU   6          1HB       LEU   6 -12.079  -4.677  -2.383
   44    HG   LEU   6           HG       LEU   6 -10.739  -6.445  -0.343
   45   1HD1  LEU   6          1HD1      LEU   6 -12.930  -7.028   0.025
   46   2HD1  LEU   6          2HD1      LEU   6 -12.506  -8.103  -1.308
   47   3HD1  LEU   6          3HD1      LEU   6 -13.426  -6.631  -1.621
   48   1HD2  LEU   6          1HD2      LEU   6  -9.626  -6.378  -2.489
   49   2HD2  LEU   6          2HD2      LEU   6 -11.153  -6.667  -3.322
   50   3HD2  LEU   6          3HD2      LEU   6 -10.455  -7.923  -2.300
   51    H    GLU   7           H        GLU   7 -10.284  -2.379   0.724
   52    HA   GLU   7           HA       GLU   7 -12.070  -0.349  -0.179
   53   1HB   GLU   7          2HB       GLU   7 -10.089  -0.254   2.104
   54   2HB   GLU   7          1HB       GLU   7 -11.428   0.857   1.850
   55   1HG   GLU   7          2HG       GLU   7 -12.884  -1.290   1.933
   56   2HG   GLU   7          1HG       GLU   7 -11.477  -1.989   2.733
   57    HA   PRO   8           HA       PRO   8  -8.841   1.805  -2.440
   58   1HB   PRO   8          2HB       PRO   8 -10.418   3.276  -4.004
   59   2HB   PRO   8          1HB       PRO   8 -10.282   1.528  -4.244
   60   1HG   PRO   8          2HG       PRO   8 -12.449   3.094  -2.909
   61   2HG   PRO   8          1HG       PRO   8 -12.580   1.694  -3.987
   62   1HD   PRO   8          2HD       PRO   8 -12.707   1.594  -1.215
   63   2HD   PRO   8          1HD       PRO   8 -12.332   0.217  -2.270
   64    HA   PRO   9           HA       PRO   9  -8.864   5.669  -0.222
   65   1HB   PRO   9          2HB       PRO   9  -6.573   6.674  -1.424
   66   2HB   PRO   9          1HB       PRO   9  -6.596   5.533  -0.080
   67   1HG   PRO   9          2HG       PRO   9  -5.724   5.071  -2.761
   68   2HG   PRO   9          1HG       PRO   9  -5.771   3.922  -1.415
   69   1HD   PRO   9          2HD       PRO   9  -7.652   4.276  -3.659
   70   2HD   PRO   9          1HD       PRO   9  -7.341   2.849  -2.644
   71    H    TYR  10           H        TYR  10  -8.075   8.105  -0.987
   72    HA   TYR  10           HA       TYR  10  -9.177   8.781  -3.577
   73   1HB   TYR  10          2HB       TYR  10 -10.888  10.255  -2.727
   74   2HB   TYR  10          1HB       TYR  10 -11.131   8.645  -2.066
   75    HD1  TYR  10           1HD      TYR  10 -10.503   8.181   0.309
   76    HD2  TYR  10           2HD      TYR  10 -10.524  12.119  -1.299
   77    HE1  TYR  10           1HE      TYR  10 -10.562   9.103   2.588
   78    HE2  TYR  10           2HE      TYR  10 -10.583  13.054   0.975
   79    HH   TYR  10           HH       TYR  10 -10.226  12.531   3.199
   80    H    ALA  11           H        ALA  11  -8.215  10.516  -4.430
   81    HA   ALA  11           HA       ALA  11  -6.452  12.095  -2.685
   82   1HB   ALA  11          1HB       ALA  11  -6.143  11.015  -5.414
   83   2HB   ALA  11          2HB       ALA  11  -4.941  11.266  -4.149
   84   3HB   ALA  11          3HB       ALA  11  -5.486  12.626  -5.131
   85    H    GLY  12           H        GLY  12  -7.313  13.985  -2.176
   86   1HA   GLY  12          2HA       GLY  12  -8.140  15.791  -4.270
   87   2HA   GLY  12          1HA       GLY  12  -9.451  15.281  -3.215
   88    H    ALA  13           H        ALA  13  -9.778  16.440  -1.424
   89    HA   ALA  13           HA       ALA  13  -8.100  18.624  -0.855
   90   1HB   ALA  13          1HB       ALA  13 -10.620  18.641  -0.774
   91   2HB   ALA  13          2HB       ALA  13  -9.788  19.400   0.584
   92   3HB   ALA  13          3HB       ALA  13 -10.473  17.784   0.761
   93    H    CYS  14           H        CYS  14  -6.171  17.395  -0.231
   94    HA   CYS  14           HA       CYS  14  -6.066  17.049   2.635
   95   1HB   CYS  14          2HB       CYS  14  -5.093  14.715   1.014
   96   2HB   CYS  14          1HB       CYS  14  -5.389  14.806   2.741
   97    H    ARG  15           H        ARG  15  -3.721  16.296   3.224
   98    HA   ARG  15           HA       ARG  15  -1.709  17.118   1.316
   99   1HB   ARG  15          2HB       ARG  15  -0.760  18.817   2.935
  100   2HB   ARG  15          1HB       ARG  15  -2.238  19.290   2.108
  101   1HG   ARG  15          2HG       ARG  15  -3.545  18.954   4.043
  102   2HG   ARG  15          1HG       ARG  15  -2.241  18.098   4.865
  103   1HD   ARG  15          2HD       ARG  15  -1.460  20.005   5.692
  104   2HD   ARG  15          1HD       ARG  15  -1.325  20.686   4.073
  105    HE   ARG  15           HE       ARG  15  -3.888  20.742   5.509
  106   1HH1  ARG  15          1HH1      ARG  15  -1.254  22.434   3.949
  107   2HH1  ARG  15          2HH1      ARG  15  -2.073  23.958   3.957
  108   1HH2  ARG  15          1HH2      ARG  15  -4.952  22.747   5.518
  109   2HH2  ARG  15          2HH2      ARG  15  -4.166  24.138   4.848
  110    H    ALA  16           H        ALA  16  -0.936  15.020   1.592
  111    HA   ALA  16           HA       ALA  16   0.928  14.706   3.731
  112   1HB   ALA  16          1HB       ALA  16  -1.262  14.018   4.774
  113   2HB   ALA  16          2HB       ALA  16   0.029  12.818   4.835
  114   3HB   ALA  16          3HB       ALA  16  -1.269  12.655   3.652
  115    H    ALA  17           H        ALA  17   2.495  13.213   3.254
  116    HA   ALA  17           HA       ALA  17   2.152  11.260   1.245
  117   1HB   ALA  17          1HB       ALA  17   3.051  13.822   0.437
  118   2HB   ALA  17          2HB       ALA  17   2.882  12.363  -0.540
  119   3HB   ALA  17          3HB       ALA  17   4.402  12.699   0.288
  120    H    ALA  18           H        ALA  18   2.734  10.909   3.817
  121    HA   ALA  18           HA       ALA  18   5.526  10.815   4.381
  122   1HB   ALA  18          1HB       ALA  18   4.135   8.961   6.016
  123   2HB   ALA  18          2HB       ALA  18   3.104  10.375   5.801
  124   3HB   ALA  18          3HB       ALA  18   4.736  10.563   6.439
  125    H    ALA  19           H        ALA  19   6.220   8.459   5.313
  126    HA   ALA  19           HA       ALA  19   6.540   6.871   2.944
  127   1HB   ALA  19          1HB       ALA  19   7.570   6.632   5.753
  128   2HB   ALA  19          2HB       ALA  19   8.461   7.009   4.279
  129   3HB   ALA  19          3HB       ALA  19   7.848   5.377   4.545
  130    H    ARG  20           H        ARG  20   4.024   6.652   2.990
  131    HA   ARG  20           HA       ARG  20   3.457   4.040   4.211
  132   1HB   ARG  20          2HB       ARG  20   1.625   6.433   4.188
  133   2HB   ARG  20          1HB       ARG  20   1.078   4.797   4.526
  134   1HG   ARG  20          2HG       ARG  20   1.818   4.858   6.620
  135   2HG   ARG  20          1HG       ARG  20   3.361   5.570   6.153
  136   1HD   ARG  20          2HD       ARG  20   2.666   7.472   7.077
  137   2HD   ARG  20          1HD       ARG  20   1.483   7.597   5.776
  138    HE   ARG  20           HE       ARG  20   0.252   5.992   7.564
  139   1HH1  ARG  20          1HH1      ARG  20   1.794   9.110   7.830
  140   2HH1  ARG  20          2HH1      ARG  20   0.786   9.638   9.136
  141   1HH2  ARG  20          1HH2      ARG  20  -1.075   6.683   9.282
  142   2HH2  ARG  20          2HH2      ARG  20  -0.844   8.260   9.960
  143    H    TYR  21           H        TYR  21   1.592   2.947   3.188
  144    HA   TYR  21           HA       TYR  21   1.113   3.726   0.414
  145   1HB   TYR  21          2HB       TYR  21   2.013   0.931   1.097
  146   2HB   TYR  21          1HB       TYR  21   1.797   1.636  -0.500
  147    HD1  TYR  21           1HD      TYR  21   3.669   2.374  -1.633
  148    HD2  TYR  21           2HD      TYR  21   3.803   2.160   2.612
  149    HE1  TYR  21           1HE      TYR  21   6.049   2.980  -1.684
  150    HE2  TYR  21           2HE      TYR  21   6.184   2.770   2.573
  151    HH   TYR  21           HH       TYR  21   8.080   2.590  -0.086
  152    H    PHE  22           H        PHE  22  -0.353   1.930  -0.621
  153    HA   PHE  22           HA       PHE  22  -2.257   0.763   1.240
  154   1HB   PHE  22          2HB       PHE  22  -4.176   1.811  -0.012
  155   2HB   PHE  22          1HB       PHE  22  -3.284   2.885   1.047
  156    HD1  PHE  22           1HD      PHE  22  -3.740   1.892  -2.481
  157    HD2  PHE  22           2HD      PHE  22  -2.259   4.829   0.213
  158    HE1  PHE  22           1HE      PHE  22  -3.407   3.443  -4.361
  159    HE2  PHE  22           2HE      PHE  22  -1.924   6.384  -1.660
  160    HZ   PHE  22           HZ       PHE  22  -2.498   5.693  -3.950
  161    H    TYR  23           H        TYR  23  -3.747  -0.722   0.164
  162    HA   TYR  23           HA       TYR  23  -2.402  -2.013  -2.070
  163   1HB   TYR  23          2HB       TYR  23  -3.279  -3.378  -0.215
  164   2HB   TYR  23          1HB       TYR  23  -4.922  -2.855  -0.611
  165    HD1  TYR  23           1HD      TYR  23  -1.960  -4.383  -2.320
  166    HD2  TYR  23           2HD      TYR  23  -6.188  -4.286  -1.907
  167    HE1  TYR  23           1HE      TYR  23  -2.156  -6.228  -3.932
  168    HE2  TYR  23           2HE      TYR  23  -6.399  -6.129  -3.512
  169    HH   TYR  23           HH       TYR  23  -5.260  -7.284  -5.154
  170    H    ASN  24           H        ASN  24  -3.232  -2.363  -4.099
  171    HA   ASN  24           HA       ASN  24  -5.588  -0.747  -4.836
  172   1HB   ASN  24          2HB       ASN  24  -3.500   0.163  -5.764
  173   2HB   ASN  24          1HB       ASN  24  -3.143  -1.396  -6.507
  174   1HD2  ASN  24          1HD2      ASN  24  -3.541   1.268  -7.661
  175   2HD2  ASN  24          2HD2      ASN  24  -4.791   1.065  -8.843
  176    H    ALA  25           H        ALA  25  -7.051  -2.453  -4.570
  177    HA   ALA  25           HA       ALA  25  -6.794  -5.063  -5.435
  178   1HB   ALA  25          1HB       ALA  25  -9.186  -3.288  -5.098
  179   2HB   ALA  25          2HB       ALA  25  -8.637  -4.619  -4.078
  180   3HB   ALA  25          3HB       ALA  25  -9.354  -4.952  -5.655
  181    H    LYS  26           H        LYS  26  -7.308  -2.201  -7.312
  182    HA   LYS  26           HA       LYS  26  -8.229  -3.620  -9.657
  183   1HB   LYS  26          2HB       LYS  26  -8.268  -0.937  -8.746
  184   2HB   LYS  26          1HB       LYS  26  -7.373  -0.956 -10.259
  185   1HG   LYS  26          2HG       LYS  26  -9.309  -0.949 -11.330
  186   2HG   LYS  26          1HG       LYS  26  -9.611  -2.570 -10.702
  187   1HD   LYS  26          2HD       LYS  26 -10.487  -1.383  -8.604
  188   2HD   LYS  26          1HD       LYS  26 -10.521   0.073  -9.602
  189   1HE   LYS  26          2HE       LYS  26 -12.585  -0.598 -10.161
  190   2HE   LYS  26          1HE       LYS  26 -11.760  -1.742 -11.218
  191   1HZ   LYS  26          1HZ       LYS  26 -13.541  -2.508  -9.452
  192   2HZ   LYS  26          2HZ       LYS  26 -12.185  -2.542  -8.442
  193   3HZ   LYS  26          3HZ       LYS  26 -12.211  -3.476  -9.852
  194    H    ALA  27           H        ALA  27  -5.224  -3.266  -8.260
  195    HA   ALA  27           HA       ALA  27  -3.934  -3.772 -10.849
  196   1HB   ALA  27          1HB       ALA  27  -3.426  -1.502  -9.088
  197   2HB   ALA  27          2HB       ALA  27  -3.050  -1.724 -10.795
  198   3HB   ALA  27          3HB       ALA  27  -1.974  -2.381  -9.562
  199    H    GLY  28           H        GLY  28  -4.465  -4.878  -7.781
  200   1HA   GLY  28          2HA       GLY  28  -3.630  -6.672  -6.659
  201   2HA   GLY  28          1HA       GLY  28  -2.622  -6.954  -8.052
  202    H    LEU  29           H        LEU  29  -1.837  -3.921  -7.201
  203    HA   LEU  29           HA       LEU  29   0.171  -4.806  -5.243
  204   1HB   LEU  29          2HB       LEU  29   0.540  -3.545  -7.866
  205   2HB   LEU  29          1HB       LEU  29   1.447  -2.785  -6.572
  206    HG   LEU  29           HG       LEU  29   1.720  -5.669  -6.479
  207   1HD1  LEU  29          1HD1      LEU  29   2.605  -6.194  -8.518
  208   2HD1  LEU  29          2HD1      LEU  29   3.025  -4.522  -8.892
  209   3HD1  LEU  29          3HD1      LEU  29   1.349  -5.057  -9.008
  210   1HD2  LEU  29          1HD2      LEU  29   3.738  -3.474  -6.923
  211   2HD2  LEU  29          2HD2      LEU  29   4.072  -5.121  -6.392
  212   3HD2  LEU  29          3HD2      LEU  29   3.168  -4.025  -5.348
  213    H    CYS  30           H        CYS  30   1.344  -2.744  -4.310
  214    HA   CYS  30           HA       CYS  30  -0.805  -0.995  -3.362
  215   1HB   CYS  30          2HB       CYS  30   1.929  -1.089  -2.136
  216   2HB   CYS  30          1HB       CYS  30   0.399  -0.640  -1.399
  217    H    GLN  31           H        GLN  31   0.031   1.227  -2.659
  218    HA   GLN  31           HA       GLN  31   1.992   2.381  -4.458
  219   1HB   GLN  31          2HB       GLN  31  -0.681   2.410  -5.195
  220   2HB   GLN  31          1HB       GLN  31  -0.433   3.997  -4.478
  221   1HG   GLN  31          2HG       GLN  31   0.322   4.620  -6.468
  222   2HG   GLN  31          1HG       GLN  31   1.773   3.693  -6.089
  223   1HE2  GLN  31          1HE2      GLN  31  -1.527   2.764  -7.000
  224   2HE2  GLN  31          2HE2      GLN  31  -1.068   1.802  -8.360
  225    H    THR  32           H        THR  32   2.717   4.471  -3.814
  226    HA   THR  32           HA       THR  32   2.502   4.931  -0.982
  227    HB   THR  32           HB       THR  32   4.580   5.259  -2.506
  228    HG1  THR  32           1HG      THR  32   3.738   6.977  -0.444
  229   1HG2  THR  32          1HG2      THR  32   3.344   7.986  -2.811
  230   2HG2  THR  32          2HG2      THR  32   3.528   6.804  -4.108
  231   3HG2  THR  32          3HG2      THR  32   4.955   7.485  -3.329
  232    H    PHE  33           H        PHE  33   1.711   6.789   0.046
  233    HA   PHE  33           HA       PHE  33  -0.700   7.810  -1.034
  234   1HB   PHE  33          2HB       PHE  33   0.915   8.314   1.427
  235   2HB   PHE  33          1HB       PHE  33  -0.313   9.497   0.985
  236    HD1  PHE  33           1HD      PHE  33  -2.694   8.765   0.769
  237    HD2  PHE  33           2HD      PHE  33   0.336   6.242   2.370
  238    HE1  PHE  33           1HE      PHE  33  -4.419   7.326   1.763
  239    HE2  PHE  33           2HE      PHE  33  -1.389   4.799   3.365
  240    HZ   PHE  33           HZ       PHE  33  -3.770   5.340   3.060
  241    H    ALA  34           H        ALA  34  -0.779   9.226  -2.678
  242    HA   ALA  34           HA       ALA  34   1.384  10.967  -3.348
  243   1HB   ALA  34          1HB       ALA  34  -0.460  11.948  -4.907
  244   2HB   ALA  34          2HB       ALA  34  -1.381  10.534  -4.397
  245   3HB   ALA  34          3HB       ALA  34   0.173  10.330  -5.207
  246    H    TYR  35           H        TYR  35   1.240  13.317  -3.485
  247    HA   TYR  35           HA       TYR  35   0.457  14.496  -1.041
  248   1HB   TYR  35          2HB       TYR  35   2.222  15.217  -2.892
  249   2HB   TYR  35          1HB       TYR  35   0.878  16.211  -3.446
  250    HD1  TYR  35           1HD      TYR  35  -0.312  17.599  -1.532
  251    HD2  TYR  35           2HD      TYR  35   3.663  16.102  -1.318
  252    HE1  TYR  35           1HE      TYR  35   0.217  19.270   0.191
  253    HE2  TYR  35           2HE      TYR  35   4.205  17.769   0.406
  254    HH   TYR  35           HH       TYR  35   2.348  19.190   2.236
  255    H    GLY  36           H        GLY  36  -1.812  13.557  -1.334
  256   1HA   GLY  36          2HA       GLY  36  -3.684  15.557  -1.452
  257   2HA   GLY  36          1HA       GLY  36  -3.638  14.773  -3.014
  258    H    ALA  37           H        ALA  37  -2.968  12.169  -2.043
  259    HA   ALA  37           HA       ALA  37  -5.567  11.162  -1.578
  260   1HB   ALA  37          1HB       ALA  37  -3.721   9.923  -2.714
  261   2HB   ALA  37          2HB       ALA  37  -4.560   9.000  -1.467
  262   3HB   ALA  37          3HB       ALA  37  -2.975   9.698  -1.132
  263    H    CYS  38           H        CYS  38  -6.685  10.990   0.232
  264    HA   CYS  38           HA       CYS  38  -5.457  11.679   2.752
  265   1HB   CYS  38          2HB       CYS  38  -8.183  11.457   1.691
  266   2HB   CYS  38          1HB       CYS  38  -8.023  10.881   3.348
  267    H    ALA  39           H        ALA  39  -5.538  10.360   4.641
  268    HA   ALA  39           HA       ALA  39  -4.743   7.678   4.171
  269   1HB   ALA  39          1HB       ALA  39  -5.560   8.457   6.904
  270   2HB   ALA  39          2HB       ALA  39  -4.265   9.397   6.160
  271   3HB   ALA  39          3HB       ALA  39  -4.096   7.651   6.341
  272    H    ALA  40           H        ALA  40  -5.994   6.001   3.772
  273    HA   ALA  40           HA       ALA  40  -8.823   6.075   4.135
  274   1HB   ALA  40          1HB       ALA  40  -7.540   3.461   3.672
  275   2HB   ALA  40          2HB       ALA  40  -7.215   4.706   2.465
  276   3HB   ALA  40          3HB       ALA  40  -8.878   4.238   2.823
  277    H    LYS  41           H        LYS  41  -9.969   4.217   5.253
  278    HA   LYS  41           HA       LYS  41  -9.414   4.306   7.999
  279   1HB   LYS  41          2HB       LYS  41 -11.468   3.280   6.333
  280   2HB   LYS  41          1HB       LYS  41 -10.960   1.971   7.393
  281   1HG   LYS  41          2HG       LYS  41 -11.344   3.384   9.338
  282   2HG   LYS  41          1HG       LYS  41 -11.827   4.714   8.283
  283   1HD   LYS  41          2HD       LYS  41 -13.858   3.814   7.860
  284   2HD   LYS  41          1HD       LYS  41 -13.243   2.160   7.869
  285   1HE   LYS  41          2HE       LYS  41 -14.436   2.071   9.795
  286   2HE   LYS  41          1HE       LYS  41 -12.939   2.725  10.456
  287   1HZ   LYS  41          1HZ       LYS  41 -14.348   4.920   9.629
  288   2HZ   LYS  41          2HZ       LYS  41 -14.177   4.384  11.222
  289   3HZ   LYS  41          3HZ       LYS  41 -15.525   3.917  10.315
  290    H    ARG  42           H        ARG  42  -9.554   1.242   6.204
  291    HA   ARG  42           HA       ARG  42  -7.491   0.172   7.943
  292   1HB   ARG  42          2HB       ARG  42  -9.512  -1.036   6.095
  293   2HB   ARG  42          1HB       ARG  42  -8.120  -1.980   6.607
  294   1HG   ARG  42          2HG       ARG  42 -10.077  -0.671   8.483
  295   2HG   ARG  42          1HG       ARG  42 -10.144  -2.360   7.974
  296   1HD   ARG  42          2HD       ARG  42  -7.761  -1.116   9.338
  297   2HD   ARG  42          1HD       ARG  42  -9.050  -1.949  10.199
  298    HE   ARG  42           HE       ARG  42  -7.132  -3.175   8.345
  299   1HH1  ARG  42          1HH1      ARG  42  -9.645  -3.520  10.755
  300   2HH1  ARG  42          2HH1      ARG  42  -9.362  -5.212  10.977
  301   1HH2  ARG  42          1HH2      ARG  42  -6.772  -5.396   8.642
  302   2HH2  ARG  42          2HH2      ARG  42  -7.737  -6.277   9.779
  303    H    ASN  43           H        ASN  43  -7.958   1.053   4.592
  304    HA   ASN  43           HA       ASN  43  -5.715  -0.357   3.579
  305   1HB   ASN  43          2HB       ASN  43  -7.911   0.987   2.536
  306   2HB   ASN  43          1HB       ASN  43  -6.545   1.988   2.048
  307   1HD2  ASN  43          1HD2      ASN  43  -7.643  -1.297   2.224
  308   2HD2  ASN  43          2HD2      ASN  43  -6.924  -1.844   0.737
  309    H    ASN  44           H        ASN  44  -4.236   0.447   5.337
  310    HA   ASN  44           HA       ASN  44  -2.589   2.553   4.275
  311   1HB   ASN  44          2HB       ASN  44  -2.623   3.977   6.265
  312   2HB   ASN  44          1HB       ASN  44  -4.234   3.854   5.559
  313   1HD2  ASN  44          1HD2      ASN  44  -5.740   2.390   6.557
  314   2HD2  ASN  44          2HD2      ASN  44  -5.633   2.083   8.254
  315    H    PHE  45           H        PHE  45  -0.786   1.271   4.229
  316    HA   PHE  45           HA       PHE  45  -0.007  -0.070   6.729
  317   1HB   PHE  45          2HB       PHE  45   0.805  -0.564   3.855
  318   2HB   PHE  45          1HB       PHE  45   1.547  -1.366   5.239
  319    HD1  PHE  45           1HD      PHE  45  -1.412  -1.119   3.137
  320    HD2  PHE  45           2HD      PHE  45   0.306  -3.003   6.543
  321    HE1  PHE  45           1HE      PHE  45  -3.201  -2.803   3.101
  322    HE2  PHE  45           2HE      PHE  45  -1.478  -4.699   6.511
  323    HZ   PHE  45           HZ       PHE  45  -3.235  -4.601   4.787
  324    H    LYS  46           H        LYS  46   1.870   0.459   7.733
  325    HA   LYS  46           HA       LYS  46   3.068   2.950   7.192
  326   1HB   LYS  46          2HB       LYS  46   3.042   1.194   9.318
  327   2HB   LYS  46          1HB       LYS  46   4.714   1.127   8.779
  328   1HG   LYS  46          2HG       LYS  46   4.770   3.622   8.903
  329   2HG   LYS  46          1HG       LYS  46   3.169   3.558   9.643
  330   1HD   LYS  46          2HD       LYS  46   4.198   3.342  11.609
  331   2HD   LYS  46          1HD       LYS  46   4.682   1.726  11.091
  332   1HE   LYS  46          2HE       LYS  46   6.340   3.979  10.133
  333   2HE   LYS  46          1HE       LYS  46   6.426   3.613  11.855
  334   1HZ   LYS  46          1HZ       LYS  46   8.049   2.259  11.008
  335   2HZ   LYS  46          2HZ       LYS  46   7.221   1.956   9.564
  336   3HZ   LYS  46          3HZ       LYS  46   6.731   1.197  10.994
  337    H    SER  47           H        SER  47   3.562  -0.058   5.721
  338    HA   SER  47           HA       SER  47   5.819   0.990   4.248
  339   1HB   SER  47          2HB       SER  47   6.743  -1.570   4.801
  340   2HB   SER  47          1HB       SER  47   7.372  -0.068   5.475
  341    HG   SER  47           HG       SER  47   6.551  -0.588   7.339
  342    H    ALA  48           H        ALA  48   6.151  -0.007   2.269
  343    HA   ALA  48           HA       ALA  48   3.894  -1.181   1.065
  344   1HB   ALA  48          1HB       ALA  48   5.076  -0.473  -0.703
  345   2HB   ALA  48          2HB       ALA  48   6.066  -1.920  -0.523
  346   3HB   ALA  48          3HB       ALA  48   6.567  -0.411   0.239
  347    H    GLU  49           H        GLU  49   6.809  -2.536   2.491
  348    HA   GLU  49           HA       GLU  49   6.454  -5.196   1.680
  349   1HB   GLU  49          2HB       GLU  49   7.880  -3.834   3.918
  350   2HB   GLU  49          1HB       GLU  49   7.589  -5.560   4.080
  351   1HG   GLU  49          2HG       GLU  49   8.801  -6.015   2.066
  352   2HG   GLU  49          1HG       GLU  49   8.964  -4.293   1.724
  353    H    ASP  50           H        ASP  50   5.144  -3.283   4.312
  354    HA   ASP  50           HA       ASP  50   3.794  -5.389   5.643
  355   1HB   ASP  50          2HB       ASP  50   4.218  -2.652   6.073
  356   2HB   ASP  50          1HB       ASP  50   2.470  -2.835   5.950
  357    H    CYS  51           H        CYS  51   2.690  -2.988   3.199
  358    HA   CYS  51           HA       CYS  51   0.002  -3.875   3.158
  359   1HB   CYS  51          2HB       CYS  51   0.472  -1.744   2.203
  360   2HB   CYS  51          1HB       CYS  51   1.731  -2.406   1.161
  361    H    LEU  52           H        LEU  52   2.712  -4.539   0.998
  362    HA   LEU  52           HA       LEU  52   1.539  -6.363  -0.702
  363   1HB   LEU  52          2HB       LEU  52   4.334  -5.935   0.278
  364   2HB   LEU  52          1HB       LEU  52   3.979  -7.277  -0.799
  365    HG   LEU  52           HG       LEU  52   3.567  -4.346  -1.384
  366   1HD1  LEU  52          1HD1      LEU  52   5.865  -4.849  -1.568
  367   2HD1  LEU  52          2HD1      LEU  52   5.228  -4.883  -3.212
  368   3HD1  LEU  52          3HD1      LEU  52   5.542  -6.392  -2.358
  369   1HD2  LEU  52          1HD2      LEU  52   2.373  -6.712  -2.557
  370   2HD2  LEU  52          2HD2      LEU  52   3.290  -5.778  -3.740
  371   3HD2  LEU  52          3HD2      LEU  52   1.999  -5.008  -2.818
  372    H    ARG  53           H        ARG  53   3.117  -6.957   2.434
  373    HA   ARG  53           HA       ARG  53   3.025  -9.758   2.339
  374   1HB   ARG  53          2HB       ARG  53   3.673  -7.749   4.291
  375   2HB   ARG  53          1HB       ARG  53   2.691  -8.997   5.038
  376   1HG   ARG  53          2HG       ARG  53   4.755 -10.134   3.363
  377   2HG   ARG  53          1HG       ARG  53   5.423  -9.070   4.602
  378   1HD   ARG  53          2HD       ARG  53   4.517 -10.335   6.344
  379   2HD   ARG  53          1HD       ARG  53   3.360 -11.136   5.282
  380    HE   ARG  53           HE       ARG  53   5.834 -11.885   4.359
  381   1HH1  ARG  53          1HH1      ARG  53   4.118 -12.124   7.388
  382   2HH1  ARG  53          2HH1      ARG  53   4.901 -13.592   7.860
  383   1HH2  ARG  53          1HH2      ARG  53   6.869 -13.816   4.979
  384   2HH2  ARG  53          2HH2      ARG  53   6.467 -14.554   6.494
  385    H    THR  54           H        THR  54   0.786  -7.512   3.980
  386    HA   THR  54           HA       THR  54  -1.057  -9.622   4.593
  387    HB   THR  54           HB       THR  54  -1.604  -6.660   4.728
  388    HG1  THR  54           1HG      THR  54  -0.288  -8.313   6.620
  389   1HG2  THR  54          1HG2      THR  54  -3.487  -8.257   5.154
  390   2HG2  THR  54          2HG2      THR  54  -3.104  -7.161   6.481
  391   3HG2  THR  54          3HG2      THR  54  -2.576  -8.843   6.545
  392    H    CYS  55           H        CYS  55  -1.212  -6.811   2.404
  393    HA   CYS  55           HA       CYS  55  -3.667  -7.798   1.275
  394   1HB   CYS  55          2HB       CYS  55  -2.035  -5.318   0.759
  395   2HB   CYS  55          1HB       CYS  55  -3.486  -5.717  -0.148
  396    H    GLY  56           H        GLY  56  -0.299  -7.473   0.244
  397   1HA   GLY  56          2HA       GLY  56  -0.798  -8.125  -2.485
  398   2HA   GLY  56          1HA       GLY  56   0.763  -8.163  -1.683
  399    H    GLY  57           H        GLY  57  -2.168 -10.004  -2.342
  400   1HA   GLY  57          2HA       GLY  57  -0.844 -12.464  -1.432
  401   2HA   GLY  57          1HA       GLY  57  -2.552 -12.288  -1.803
  402    H    ALA  58           H        ALA  58  -0.130 -11.024  -3.962
  403    HA   ALA  58           HA       ALA  58  -1.125 -12.650  -6.108
  404   1HB   ALA  58          1HB       ALA  58   1.272 -10.823  -6.136
  405   2HB   ALA  58          2HB       ALA  58  -0.390 -10.284  -6.381
  406   3HB   ALA  58          3HB       ALA  58   0.351 -11.406  -7.523
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1  -7.966 -13.214  -0.719
    2   2H    ARG   1          2HT       ARG   1  -9.489 -12.616  -0.198
    3   3H    ARG   1          3HT       ARG   1  -8.375 -13.246   0.945
    4    HA   ARG   1           HA       ARG   1  -6.896 -11.492   0.607
    5   1HB   ARG   1          2HB       ARG   1  -7.329  -9.751  -1.044
    6   2HB   ARG   1          1HB       ARG   1  -7.253 -11.326  -1.821
    7   1HG   ARG   1          2HG       ARG   1  -9.948 -10.930  -1.170
    8   2HG   ARG   1          1HG       ARG   1  -9.373  -9.392  -1.818
    9   1HD   ARG   1          2HD       ARG   1  -8.435 -11.682  -3.352
   10   2HD   ARG   1          1HD       ARG   1 -10.193 -11.584  -3.284
   11    HE   ARG   1           HE       ARG   1 -10.122  -9.647  -4.534
   12   1HH1  ARG   1          1HH1      ARG   1  -6.883 -10.557  -3.590
   13   2HH1  ARG   1          2HH1      ARG   1  -6.123  -9.433  -4.663
   14   1HH2  ARG   1          1HH2      ARG   1  -9.119  -8.170  -5.942
   15   2HH2  ARG   1          2HH2      ARG   1  -7.390  -8.078  -5.997
   16    HA   PRO   2           HA       PRO   2  -9.360  -9.439   3.649
   17   1HB   PRO   2          2HB       PRO   2  -7.544  -7.149   3.492
   18   2HB   PRO   2          1HB       PRO   2  -7.830  -8.263   4.833
   19   1HG   PRO   2          2HG       PRO   2  -5.529  -8.252   3.390
   20   2HG   PRO   2          1HG       PRO   2  -6.191  -9.711   4.151
   21   1HD   PRO   2          2HD       PRO   2  -6.256  -8.868   1.290
   22   2HD   PRO   2          1HD       PRO   2  -6.094 -10.491   1.992
   23    H    ASP   3           H        ASP   3 -11.148  -8.263   3.495
   24    HA   ASP   3           HA       ASP   3 -12.107  -7.111   1.213
   25   1HB   ASP   3          2HB       ASP   3 -12.846  -7.088   4.038
   26   2HB   ASP   3          1HB       ASP   3 -13.367  -5.636   3.186
   27    H    PHE   4           H        PHE   4 -10.756  -5.252   3.950
   28    HA   PHE   4           HA       PHE   4 -11.004  -2.734   2.894
   29   1HB   PHE   4          2HB       PHE   4  -8.967  -2.141   4.281
   30   2HB   PHE   4          1HB       PHE   4 -10.323  -2.872   5.139
   31    HD1  PHE   4           1HD      PHE   4 -10.167  -5.282   5.804
   32    HD2  PHE   4           2HD      PHE   4  -6.845  -3.117   4.265
   33    HE1  PHE   4           1HE      PHE   4  -8.642  -6.970   6.731
   34    HE2  PHE   4           2HE      PHE   4  -5.314  -4.805   5.187
   35    HZ   PHE   4           HZ       PHE   4  -6.212  -6.734   6.421
   36    H    CYS   5           H        CYS   5  -8.685  -5.160   1.973
   37    HA   CYS   5           HA       CYS   5  -6.745  -3.531   0.775
   38   1HB   CYS   5          2HB       CYS   5  -7.630  -6.302  -0.031
   39   2HB   CYS   5          1HB       CYS   5  -6.156  -5.503  -0.566
   40    H    LEU   6           H        LEU   6  -9.933  -4.364  -0.159
   41    HA   LEU   6           HA       LEU   6  -9.606  -3.660  -2.944
   42   1HB   LEU   6          2HB       LEU   6 -12.241  -3.861  -1.515
   43   2HB   LEU   6          1HB       LEU   6 -11.888  -4.164  -3.205
   44    HG   LEU   6           HG       LEU   6 -10.895  -5.919  -0.959
   45   1HD1  LEU   6          1HD1      LEU   6 -13.355  -6.164  -2.679
   46   2HD1  LEU   6          2HD1      LEU   6 -13.278  -6.045  -0.921
   47   3HD1  LEU   6          3HD1      LEU   6 -12.674  -7.488  -1.734
   48   1HD2  LEU   6          1HD2      LEU   6 -11.236  -6.909  -3.716
   49   2HD2  LEU   6          2HD2      LEU   6  -9.964  -7.236  -2.539
   50   3HD2  LEU   6          3HD2      LEU   6  -9.939  -5.739  -3.471
   51    H    GLU   7           H        GLU   7 -10.022  -1.965  -0.039
   52    HA   GLU   7           HA       GLU   7 -11.556   0.231  -1.017
   53   1HB   GLU   7          2HB       GLU   7 -11.053  -0.554   1.449
   54   2HB   GLU   7          1HB       GLU   7  -9.664   0.515   1.282
   55   1HG   GLU   7          2HG       GLU   7 -10.918   2.383   1.337
   56   2HG   GLU   7          1HG       GLU   7 -12.263   1.639   0.474
   57    HA   PRO   8           HA       PRO   8  -8.078   2.007  -3.236
   58   1HB   PRO   8          2HB       PRO   8  -9.425   4.063  -4.359
   59   2HB   PRO   8          1HB       PRO   8  -9.558   2.406  -4.960
   60   1HG   PRO   8          2HG       PRO   8 -11.421   3.934  -3.187
   61   2HG   PRO   8          1HG       PRO   8 -11.797   2.856  -4.543
   62   1HD   PRO   8          2HD       PRO   8 -11.960   2.093  -1.929
   63   2HD   PRO   8          1HD       PRO   8 -11.603   0.966  -3.254
   64    HA   PRO   9           HA       PRO   9  -6.298   5.161  -0.731
   65   1HB   PRO   9          2HB       PRO   9  -6.216   7.167  -2.797
   66   2HB   PRO   9          1HB       PRO   9  -4.887   6.229  -2.124
   67   1HG   PRO   9          2HG       PRO   9  -6.376   5.834  -4.609
   68   2HG   PRO   9          1HG       PRO   9  -4.813   5.165  -4.126
   69   1HD   PRO   9          2HD       PRO   9  -7.086   3.683  -4.345
   70   2HD   PRO   9          1HD       PRO   9  -5.766   3.280  -3.226
   71    H    TYR  10           H        TYR  10  -6.592   7.415  -0.022
   72    HA   TYR  10           HA       TYR  10  -9.387   7.966   0.377
   73   1HB   TYR  10          2HB       TYR  10  -7.585   8.190   2.116
   74   2HB   TYR  10          1HB       TYR  10  -7.011   9.596   1.242
   75    HD1  TYR  10           1HD      TYR  10  -8.385  11.654   1.160
   76    HD2  TYR  10           2HD      TYR  10  -9.505   8.301   3.528
   77    HE1  TYR  10           1HE      TYR  10  -9.928  13.078   2.439
   78    HE2  TYR  10           2HE      TYR  10 -11.053   9.715   4.809
   79    HH   TYR  10           HH       TYR  10 -11.414  12.032   5.346
   80    H    ALA  11           H        ALA  11 -10.177  10.240   0.170
   81    HA   ALA  11           HA       ALA  11  -9.021  11.675  -2.118
   82   1HB   ALA  11          1HB       ALA  11 -11.256  11.968  -3.108
   83   2HB   ALA  11          2HB       ALA  11 -11.922  10.882  -1.888
   84   3HB   ALA  11          3HB       ALA  11 -10.756  10.277  -3.064
   85    H    GLY  12           H        GLY  12  -8.325  13.319  -0.755
   86   1HA   GLY  12          2HA       GLY  12 -10.467  15.106   0.155
   87   2HA   GLY  12          1HA       GLY  12  -9.249  14.618   1.325
   88    H    ALA  13           H        ALA  13  -8.914  16.960   1.443
   89    HA   ALA  13           HA       ALA  13  -7.647  18.214  -0.757
   90   1HB   ALA  13          1HB       ALA  13  -8.504  19.147   1.938
   91   2HB   ALA  13          2HB       ALA  13  -9.047  19.687   0.349
   92   3HB   ALA  13          3HB       ALA  13  -7.446  20.139   0.935
   93    H    CYS  14           H        CYS  14  -6.223  15.971   0.273
   94    HA   CYS  14           HA       CYS  14  -4.083  16.902   1.938
   95   1HB   CYS  14          2HB       CYS  14  -3.811  14.427   0.285
   96   2HB   CYS  14          1HB       CYS  14  -3.293  14.731   1.937
   97    H    ARG  15           H        ARG  15  -1.822  16.963   1.298
   98    HA   ARG  15           HA       ARG  15  -1.172  17.095  -1.496
   99   1HB   ARG  15          2HB       ARG  15  -0.374  19.455  -1.410
  100   2HB   ARG  15          1HB       ARG  15  -2.120  19.288  -1.313
  101   1HG   ARG  15          2HG       ARG  15  -2.215  20.225   0.709
  102   2HG   ARG  15          1HG       ARG  15  -0.807  19.337   1.293
  103   1HD   ARG  15          2HD       ARG  15  -0.411  21.756   1.264
  104   2HD   ARG  15          1HD       ARG  15   0.673  20.901   0.167
  105    HE   ARG  15           HE       ARG  15  -1.672  21.831  -1.161
  106   1HH1  ARG  15          1HH1      ARG  15   1.447  22.838   0.037
  107   2HH1  ARG  15          2HH1      ARG  15   1.597  24.145  -1.089
  108   1HH2  ARG  15          1HH2      ARG  15  -1.476  23.549  -2.643
  109   2HH2  ARG  15          2HH2      ARG  15  -0.062  24.550  -2.610
  110    H    ALA  16           H        ALA  16   0.561  15.803  -1.345
  111    HA   ALA  16           HA       ALA  16   2.679  15.110  -0.894
  112   1HB   ALA  16          1HB       ALA  16   3.755  17.050  -1.361
  113   2HB   ALA  16          2HB       ALA  16   4.105  16.974   0.366
  114   3HB   ALA  16          3HB       ALA  16   2.791  17.990  -0.222
  115    H    ALA  17           H        ALA  17   2.239  13.486   0.549
  116    HA   ALA  17           HA       ALA  17   3.113  13.877   3.193
  117   1HB   ALA  17          1HB       ALA  17   1.031  13.045   4.292
  118   2HB   ALA  17          2HB       ALA  17   0.203  13.284   2.752
  119   3HB   ALA  17          3HB       ALA  17   0.902  14.663   3.603
  120    H    ALA  18           H        ALA  18   4.246  12.335   1.378
  121    HA   ALA  18           HA       ALA  18   3.280   9.665   1.261
  122   1HB   ALA  18          1HB       ALA  18   6.146  10.478   0.859
  123   2HB   ALA  18          2HB       ALA  18   4.895  10.801  -0.341
  124   3HB   ALA  18          3HB       ALA  18   5.266   9.140   0.119
  125    H    ALA  19           H        ALA  19   3.364   8.125   2.747
  126    HA   ALA  19           HA       ALA  19   5.615   7.745   4.462
  127   1HB   ALA  19          1HB       ALA  19   4.902   9.284   5.974
  128   2HB   ALA  19          2HB       ALA  19   3.966   7.900   6.537
  129   3HB   ALA  19          3HB       ALA  19   3.208   9.118   5.513
  130    H    ARG  20           H        ARG  20   2.142   7.074   4.108
  131    HA   ARG  20           HA       ARG  20   2.623   4.282   4.865
  132   1HB   ARG  20          2HB       ARG  20   0.090   5.907   4.605
  133   2HB   ARG  20          1HB       ARG  20   0.098   4.168   4.893
  134   1HG   ARG  20          2HG       ARG  20   1.805   5.206   6.825
  135   2HG   ARG  20          1HG       ARG  20   0.465   6.352   6.746
  136   1HD   ARG  20          2HD       ARG  20  -0.377   3.556   6.701
  137   2HD   ARG  20          1HD       ARG  20   0.487   4.005   8.169
  138    HE   ARG  20           HE       ARG  20  -2.106   4.972   7.294
  139   1HH1  ARG  20          1HH1      ARG  20   0.578   5.371   9.495
  140   2HH1  ARG  20          2HH1      ARG  20  -0.347   6.259  10.656
  141   1HH2  ARG  20          1HH2      ARG  20  -3.320   6.143   8.822
  142   2HH2  ARG  20          2HH2      ARG  20  -2.559   6.699  10.275
  143    H    TYR  21           H        TYR  21   0.919   2.791   3.639
  144    HA   TYR  21           HA       TYR  21   1.014   3.385   0.766
  145   1HB   TYR  21          2HB       TYR  21   1.800   0.726   1.973
  146   2HB   TYR  21          1HB       TYR  21   1.764   1.122   0.259
  147    HD1  TYR  21           1HD      TYR  21   3.700   1.844  -0.780
  148    HD2  TYR  21           2HD      TYR  21   3.388   2.177   3.450
  149    HE1  TYR  21           1HE      TYR  21   6.055   2.540  -0.668
  150    HE2  TYR  21           2HE      TYR  21   5.742   2.877   3.574
  151    HH   TYR  21           HH       TYR  21   7.865   2.687   0.851
  152    H    PHE  22           H        PHE  22  -0.342   1.770  -0.492
  153    HA   PHE  22           HA       PHE  22  -2.529   0.584   1.036
  154   1HB   PHE  22          2HB       PHE  22  -4.253   1.621  -0.387
  155   2HB   PHE  22          1HB       PHE  22  -3.387   2.811   0.564
  156    HD1  PHE  22           1HD      PHE  22  -1.886   4.405  -0.518
  157    HD2  PHE  22           2HD      PHE  22  -4.059   1.526  -2.772
  158    HE1  PHE  22           1HE      PHE  22  -1.406   5.660  -2.578
  159    HE2  PHE  22           2HE      PHE  22  -3.582   2.775  -4.836
  160    HZ   PHE  22           HZ       PHE  22  -2.254   4.846  -4.741
  161    H    TYR  23           H        TYR  23  -3.821  -0.873  -0.223
  162    HA   TYR  23           HA       TYR  23  -2.193  -2.209  -2.236
  163   1HB   TYR  23          2HB       TYR  23  -3.288  -3.558  -0.499
  164   2HB   TYR  23          1HB       TYR  23  -4.872  -3.027  -1.077
  165    HD1  TYR  23           1HD      TYR  23  -1.750  -4.624  -2.384
  166    HD2  TYR  23           2HD      TYR  23  -5.994  -4.423  -2.549
  167    HE1  TYR  23           1HE      TYR  23  -1.771  -6.473  -4.005
  168    HE2  TYR  23           2HE      TYR  23  -6.027  -6.272  -4.166
  169    HH   TYR  23           HH       TYR  23  -4.232  -8.317  -4.660
  170    H    ASN  24           H        ASN  24  -2.693  -2.468  -4.351
  171    HA   ASN  24           HA       ASN  24  -4.902  -0.820  -5.390
  172   1HB   ASN  24          2HB       ASN  24  -2.647  -0.145  -6.138
  173   2HB   ASN  24          1HB       ASN  24  -2.386  -1.764  -6.792
  174   1HD2  ASN  24          1HD2      ASN  24  -2.269   0.694  -8.211
  175   2HD2  ASN  24          2HD2      ASN  24  -3.493   0.632  -9.436
  176    H    ALA  25           H        ALA  25  -6.520  -2.404  -5.194
  177    HA   ALA  25           HA       ALA  25  -6.369  -5.065  -5.919
  178   1HB   ALA  25          1HB       ALA  25  -8.805  -3.345  -6.342
  179   2HB   ALA  25          2HB       ALA  25  -8.280  -3.920  -4.758
  180   3HB   ALA  25          3HB       ALA  25  -8.746  -5.076  -6.007
  181    H    LYS  26           H        LYS  26  -6.491  -2.262  -7.951
  182    HA   LYS  26           HA       LYS  26  -7.133  -3.818 -10.332
  183   1HB   LYS  26          2HB       LYS  26  -6.436  -0.891 -10.259
  184   2HB   LYS  26          1HB       LYS  26  -7.372  -1.761 -11.466
  185   1HG   LYS  26          2HG       LYS  26  -9.261  -1.851 -10.123
  186   2HG   LYS  26          1HG       LYS  26  -8.343  -1.561  -8.645
  187   1HD   LYS  26          2HD       LYS  26  -7.789   0.722  -9.836
  188   2HD   LYS  26          1HD       LYS  26  -9.279   0.366 -10.713
  189   1HE   LYS  26          2HE       LYS  26 -10.504   0.197  -8.633
  190   2HE   LYS  26          1HE       LYS  26  -9.020   0.431  -7.709
  191   1HZ   LYS  26          1HZ       LYS  26  -9.015   2.602  -9.263
  192   2HZ   LYS  26          2HZ       LYS  26  -9.686   2.560  -7.711
  193   3HZ   LYS  26          3HZ       LYS  26 -10.681   2.377  -9.068
  194    H    ALA  27           H        ALA  27  -4.365  -3.370  -8.618
  195    HA   ALA  27           HA       ALA  27  -2.740  -3.687 -11.042
  196   1HB   ALA  27          1HB       ALA  27  -1.818  -1.920  -8.796
  197   2HB   ALA  27          2HB       ALA  27  -2.694  -1.304 -10.197
  198   3HB   ALA  27          3HB       ALA  27  -1.130  -2.093 -10.412
  199    H    GLY  28           H        GLY  28  -3.571  -4.964  -8.108
  200   1HA   GLY  28          2HA       GLY  28  -2.749  -6.693  -6.883
  201   2HA   GLY  28          1HA       GLY  28  -1.643  -6.956  -8.207
  202    H    LEU  29           H        LEU  29  -0.966  -3.908  -7.348
  203    HA   LEU  29           HA       LEU  29   0.977  -4.740  -5.301
  204   1HB   LEU  29          2HB       LEU  29   1.406  -3.557  -7.884
  205   2HB   LEU  29          1HB       LEU  29   1.977  -2.464  -6.638
  206    HG   LEU  29           HG       LEU  29   3.062  -4.805  -5.785
  207   1HD1  LEU  29          1HD1      LEU  29   2.259  -6.028  -7.737
  208   2HD1  LEU  29          2HD1      LEU  29   4.020  -5.939  -7.719
  209   3HD1  LEU  29          3HD1      LEU  29   3.097  -4.894  -8.797
  210   1HD2  LEU  29          1HD2      LEU  29   4.663  -3.412  -7.818
  211   2HD2  LEU  29          2HD2      LEU  29   5.006  -3.724  -6.117
  212   3HD2  LEU  29          3HD2      LEU  29   3.961  -2.378  -6.573
  213    H    CYS  30           H        CYS  30   1.916  -2.718  -4.138
  214    HA   CYS  30           HA       CYS  30  -0.380  -1.078  -3.343
  215   1HB   CYS  30          2HB       CYS  30   2.166  -1.191  -1.778
  216   2HB   CYS  30          1HB       CYS  30   0.537  -0.844  -1.224
  217    H    GLN  31           H        GLN  31   0.269   1.113  -2.469
  218    HA   GLN  31           HA       GLN  31   2.476   2.376  -3.850
  219   1HB   GLN  31          2HB       GLN  31   0.768   2.475  -5.559
  220   2HB   GLN  31          1HB       GLN  31  -0.391   3.130  -4.413
  221   1HG   GLN  31          2HG       GLN  31   0.204   5.151  -5.077
  222   2HG   GLN  31          1HG       GLN  31   1.773   4.879  -4.323
  223   1HE2  GLN  31          1HE2      GLN  31   3.487   4.053  -5.626
  224   2HE2  GLN  31          2HE2      GLN  31   3.496   4.326  -7.333
  225    H    THR  32           H        THR  32   3.153   4.280  -2.902
  226    HA   THR  32           HA       THR  32   2.223   4.756  -0.228
  227    HB   THR  32           HB       THR  32   4.640   4.950  -1.152
  228    HG1  THR  32           1HG      THR  32   3.634   7.022   0.498
  229   1HG2  THR  32          1HG2      THR  32   3.734   6.801  -2.826
  230   2HG2  THR  32          2HG2      THR  32   5.371   6.823  -2.171
  231   3HG2  THR  32          3HG2      THR  32   4.122   7.840  -1.454
  232    H    PHE  33           H        PHE  33   0.834   6.242   0.477
  233    HA   PHE  33           HA       PHE  33  -0.930   7.564  -1.211
  234   1HB   PHE  33          2HB       PHE  33  -0.201   8.353   1.622
  235   2HB   PHE  33          1HB       PHE  33  -1.670   8.803   0.764
  236    HD1  PHE  33           1HD      PHE  33   0.157   6.046   2.331
  237    HD2  PHE  33           2HD      PHE  33  -3.489   7.286   0.541
  238    HE1  PHE  33           1HE      PHE  33  -0.934   4.006   3.159
  239    HE2  PHE  33           2HE      PHE  33  -4.591   5.249   1.365
  240    HZ   PHE  33           HZ       PHE  33  -3.312   3.606   2.676
  241    H    ALA  34           H        ALA  34  -1.272   9.923  -1.441
  242    HA   ALA  34           HA       ALA  34   0.913  11.712  -1.038
  243   1HB   ALA  34          1HB       ALA  34   1.955  11.724  -3.023
  244   2HB   ALA  34          2HB       ALA  34   0.452  11.520  -3.924
  245   3HB   ALA  34          3HB       ALA  34   1.250  10.119  -3.211
  246    H    TYR  35           H        TYR  35   0.360  13.479  -3.183
  247    HA   TYR  35           HA       TYR  35  -1.427  15.233  -2.256
  248   1HB   TYR  35          2HB       TYR  35  -0.728  14.531  -5.093
  249   2HB   TYR  35          1HB       TYR  35  -1.902  15.799  -4.757
  250    HD1  TYR  35           1HD      TYR  35  -1.193  17.962  -4.207
  251    HD2  TYR  35           2HD      TYR  35   1.601  14.758  -4.080
  252    HE1  TYR  35           1HE      TYR  35   0.631  19.574  -3.871
  253    HE2  TYR  35           2HE      TYR  35   3.434  16.362  -3.744
  254    HH   TYR  35           HH       TYR  35   3.333  19.071  -2.660
  255    H    GLY  36           H        GLY  36  -3.613  15.612  -2.281
  256   1HA   GLY  36          2HA       GLY  36  -5.793  14.996  -2.089
  257   2HA   GLY  36          1HA       GLY  36  -5.568  14.601  -3.778
  258    H    ALA  37           H        ALA  37  -4.065  12.972  -1.021
  259    HA   ALA  37           HA       ALA  37  -5.917  10.780  -1.066
  260   1HB   ALA  37          1HB       ALA  37  -4.208  10.619  -3.094
  261   2HB   ALA  37          2HB       ALA  37  -4.762   9.193  -2.217
  262   3HB   ALA  37          3HB       ALA  37  -3.193   9.904  -1.841
  263    H    CYS  38           H        CYS  38  -6.033  11.124   1.130
  264    HA   CYS  38           HA       CYS  38  -3.643  10.965   2.774
  265   1HB   CYS  38          2HB       CYS  38  -6.549  11.520   3.349
  266   2HB   CYS  38          1HB       CYS  38  -5.412  11.175   4.648
  267    H    ALA  39           H        ALA  39  -3.962   9.601   4.865
  268    HA   ALA  39           HA       ALA  39  -4.114   6.879   4.043
  269   1HB   ALA  39          1HB       ALA  39  -2.762   8.161   6.009
  270   2HB   ALA  39          2HB       ALA  39  -2.974   6.412   5.913
  271   3HB   ALA  39          3HB       ALA  39  -4.052   7.378   6.923
  272    H    ALA  40           H        ALA  40  -5.693   5.497   4.089
  273    HA   ALA  40           HA       ALA  40  -8.299   6.325   4.993
  274   1HB   ALA  40          1HB       ALA  40  -7.243   3.910   3.568
  275   2HB   ALA  40          2HB       ALA  40  -8.387   5.126   3.001
  276   3HB   ALA  40          3HB       ALA  40  -8.887   3.941   4.208
  277    H    LYS  41           H        LYS  41  -9.508   5.430   6.637
  278    HA   LYS  41           HA       LYS  41  -8.133   4.622   8.950
  279   1HB   LYS  41          2HB       LYS  41 -10.753   5.402   8.267
  280   2HB   LYS  41          1HB       LYS  41 -10.895   3.832   9.046
  281   1HG   LYS  41          2HG       LYS  41 -11.106   5.548  10.702
  282   2HG   LYS  41          1HG       LYS  41  -9.576   4.704  10.950
  283   1HD   LYS  41          2HD       LYS  41  -8.997   6.802   9.189
  284   2HD   LYS  41          1HD       LYS  41 -10.066   7.495  10.410
  285   1HE   LYS  41          2HE       LYS  41  -7.805   7.753  11.154
  286   2HE   LYS  41          1HE       LYS  41  -8.585   6.537  12.162
  287   1HZ   LYS  41          1HZ       LYS  41  -6.813   5.945   9.854
  288   2HZ   LYS  41          2HZ       LYS  41  -7.506   4.810  10.900
  289   3HZ   LYS  41          3HZ       LYS  41  -6.340   5.891  11.478
  290    H    ARG  42           H        ARG  42  -9.740   2.781   6.434
  291    HA   ARG  42           HA       ARG  42  -9.558   0.315   7.908
  292   1HB   ARG  42          2HB       ARG  42 -10.724   1.157   5.307
  293   2HB   ARG  42          1HB       ARG  42 -10.279  -0.537   5.484
  294   1HG   ARG  42          2HG       ARG  42 -12.044   0.929   7.428
  295   2HG   ARG  42          1HG       ARG  42 -12.651   0.011   6.048
  296   1HD   ARG  42          2HD       ARG  42 -12.447  -1.905   7.155
  297   2HD   ARG  42          1HD       ARG  42 -10.765  -1.559   7.557
  298    HE   ARG  42           HE       ARG  42 -12.025  -0.053   9.346
  299   1HH1  ARG  42          1HH1      ARG  42 -12.610  -3.361   8.383
  300   2HH1  ARG  42          2HH1      ARG  42 -13.236  -3.828   9.927
  301   1HH2  ARG  42          1HH2      ARG  42 -12.850  -0.673  11.375
  302   2HH2  ARG  42          2HH2      ARG  42 -13.373  -2.305  11.624
  303    H    ASN  43           H        ASN  43  -8.603   0.686   4.513
  304    HA   ASN  43           HA       ASN  43  -6.366  -1.073   4.978
  305   1HB   ASN  43          2HB       ASN  43  -7.065  -1.734   2.964
  306   2HB   ASN  43          1HB       ASN  43  -8.048  -0.296   2.759
  307   1HD2  ASN  43          1HD2      ASN  43  -7.226   1.458   1.716
  308   2HD2  ASN  43          2HD2      ASN  43  -5.828   1.366   0.697
  309    H    ASN  44           H        ASN  44  -4.656  -0.170   5.904
  310    HA   ASN  44           HA       ASN  44  -3.165   1.823   4.465
  311   1HB   ASN  44          2HB       ASN  44  -3.033   3.437   6.311
  312   2HB   ASN  44          1HB       ASN  44  -4.696   3.243   5.761
  313   1HD2  ASN  44          1HD2      ASN  44  -3.835   4.248   8.285
  314   2HD2  ASN  44          2HD2      ASN  44  -4.454   3.186   9.499
  315    H    PHE  45           H        PHE  45  -1.265   0.702   4.411
  316    HA   PHE  45           HA       PHE  45  -0.341  -0.550   6.902
  317   1HB   PHE  45          2HB       PHE  45   0.437  -1.018   4.016
  318   2HB   PHE  45          1HB       PHE  45   1.256  -1.763   5.388
  319    HD1  PHE  45           1HD      PHE  45  -1.916  -1.575   3.536
  320    HD2  PHE  45           2HD      PHE  45   0.297  -3.596   6.558
  321    HE1  PHE  45           1HE      PHE  45  -3.602  -3.365   3.568
  322    HE2  PHE  45           2HE      PHE  45  -1.384  -5.394   6.592
  323    HZ   PHE  45           HZ       PHE  45  -3.337  -5.281   5.095
  324    H    LYS  46           H        LYS  46   1.525   0.053   7.861
  325    HA   LYS  46           HA       LYS  46   2.584   2.603   7.356
  326   1HB   LYS  46          2HB       LYS  46   4.415   1.842   8.955
  327   2HB   LYS  46          1HB       LYS  46   2.766   1.806   9.563
  328   1HG   LYS  46          2HG       LYS  46   2.677  -0.487   9.589
  329   2HG   LYS  46          1HG       LYS  46   3.910  -0.656   8.338
  330   1HD   LYS  46          2HD       LYS  46   5.185   0.636  10.465
  331   2HD   LYS  46          1HD       LYS  46   4.196  -0.620  11.211
  332   1HE   LYS  46          2HE       LYS  46   5.288  -1.953   9.099
  333   2HE   LYS  46          1HE       LYS  46   6.590  -0.845   9.532
  334   1HZ   LYS  46          1HZ       LYS  46   6.115  -1.684  11.912
  335   2HZ   LYS  46          2HZ       LYS  46   7.010  -2.660  10.860
  336   3HZ   LYS  46          3HZ       LYS  46   5.375  -2.993  11.137
  337    H    SER  47           H        SER  47   3.232  -0.371   5.822
  338    HA   SER  47           HA       SER  47   5.357   0.876   4.301
  339   1HB   SER  47          2HB       SER  47   6.438  -1.648   4.711
  340   2HB   SER  47          1HB       SER  47   7.008  -0.139   5.426
  341    HG   SER  47           HG       SER  47   5.733  -0.558   7.232
  342    H    ALA  48           H        ALA  48   5.658  -0.005   2.268
  343    HA   ALA  48           HA       ALA  48   3.424  -1.233   1.096
  344   1HB   ALA  48          1HB       ALA  48   4.556  -0.251  -0.592
  345   2HB   ALA  48          2HB       ALA  48   5.413  -1.789  -0.688
  346   3HB   ALA  48          3HB       ALA  48   6.115  -0.443   0.210
  347    H    GLU  49           H        GLU  49   6.458  -2.549   2.315
  348    HA   GLU  49           HA       GLU  49   6.118  -5.185   1.401
  349   1HB   GLU  49          2HB       GLU  49   7.692  -3.866   3.562
  350   2HB   GLU  49          1HB       GLU  49   7.452  -5.603   3.693
  351   1HG   GLU  49          2HG       GLU  49   9.562  -4.967   2.577
  352   2HG   GLU  49          1HG       GLU  49   8.513  -5.979   1.586
  353    H    ASP  50           H        ASP  50   4.975  -3.420   4.204
  354    HA   ASP  50           HA       ASP  50   3.783  -5.609   5.545
  355   1HB   ASP  50          2HB       ASP  50   4.203  -2.941   6.125
  356   2HB   ASP  50          1HB       ASP  50   2.454  -3.033   5.944
  357    H    CYS  51           H        CYS  51   2.538  -3.207   3.205
  358    HA   CYS  51           HA       CYS  51  -0.140  -4.084   3.251
  359   1HB   CYS  51          2HB       CYS  51   0.129  -2.022   2.220
  360   2HB   CYS  51          1HB       CYS  51   1.569  -2.531   1.340
  361    H    LEU  52           H        LEU  52   2.466  -4.832   0.923
  362    HA   LEU  52           HA       LEU  52   1.103  -6.703  -0.606
  363   1HB   LEU  52          2HB       LEU  52   4.025  -6.436   0.067
  364   2HB   LEU  52          1HB       LEU  52   3.430  -7.655  -1.043
  365    HG   LEU  52           HG       LEU  52   3.129  -4.674  -1.400
  366   1HD1  LEU  52          1HD1      LEU  52   4.826  -6.576  -2.994
  367   2HD1  LEU  52          2HD1      LEU  52   5.446  -5.636  -1.637
  368   3HD1  LEU  52          3HD1      LEU  52   4.808  -4.814  -3.060
  369   1HD2  LEU  52          1HD2      LEU  52   2.731  -6.296  -3.751
  370   2HD2  LEU  52          2HD2      LEU  52   1.675  -5.081  -3.035
  371   3HD2  LEU  52          3HD2      LEU  52   1.600  -6.750  -2.477
  372    H    ARG  53           H        ARG  53   2.943  -7.173   2.386
  373    HA   ARG  53           HA       ARG  53   2.898  -9.962   2.438
  374   1HB   ARG  53          2HB       ARG  53   4.225  -8.434   3.937
  375   2HB   ARG  53          1HB       ARG  53   2.747  -8.153   4.849
  376   1HG   ARG  53          2HG       ARG  53   2.614 -10.567   5.318
  377   2HG   ARG  53          1HG       ARG  53   4.149 -10.787   4.475
  378   1HD   ARG  53          2HD       ARG  53   3.608  -9.335   7.045
  379   2HD   ARG  53          1HD       ARG  53   4.717 -10.673   6.750
  380    HE   ARG  53           HE       ARG  53   5.717  -8.719   5.187
  381   1HH1  ARG  53          1HH1      ARG  53   4.793  -8.812   8.551
  382   2HH1  ARG  53          2HH1      ARG  53   5.951  -7.618   9.030
  383   1HH2  ARG  53          1HH2      ARG  53   7.238  -7.147   5.814
  384   2HH2  ARG  53          2HH2      ARG  53   7.340  -6.671   7.477
  385    H    THR  54           H        THR  54   0.653  -7.647   3.942
  386    HA   THR  54           HA       THR  54  -1.148  -9.735   4.769
  387    HB   THR  54           HB       THR  54  -1.706  -6.772   4.716
  388    HG1  THR  54           1HG      THR  54  -0.498  -8.209   6.836
  389   1HG2  THR  54          1HG2      THR  54  -3.662  -7.593   5.474
  390   2HG2  THR  54          2HG2      THR  54  -2.776  -7.640   6.997
  391   3HG2  THR  54          3HG2      THR  54  -2.943  -9.105   6.030
  392    H    CYS  55           H        CYS  55  -1.516  -6.946   2.580
  393    HA   CYS  55           HA       CYS  55  -3.947  -7.923   1.484
  394   1HB   CYS  55          2HB       CYS  55  -2.129  -5.620   0.870
  395   2HB   CYS  55          1HB       CYS  55  -3.414  -6.045  -0.254
  396    H    GLY  56           H        GLY  56  -0.607  -7.805   0.262
  397   1HA   GLY  56          2HA       GLY  56  -1.198  -8.791  -2.314
  398   2HA   GLY  56          1HA       GLY  56   0.375  -8.855  -1.533
  399    H    GLY  57           H        GLY  57  -0.784 -10.852  -3.236
  400   1HA   GLY  57          2HA       GLY  57  -0.260 -13.153  -1.640
  401   2HA   GLY  57          1HA       GLY  57  -1.979 -12.999  -1.971
  402    H    ALA  58           H        ALA  58  -2.481 -12.573  -4.366
  403    HA   ALA  58           HA       ALA  58  -2.617 -13.588  -6.411
  404   1HB   ALA  58          1HB       ALA  58  -0.131 -13.583  -7.459
  405   2HB   ALA  58          2HB       ALA  58   0.077 -12.442  -6.130
  406   3HB   ALA  58          3HB       ALA  58  -1.161 -12.156  -7.354
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1  -6.487 -13.426  -0.622
    2   2H    ARG   1          2HT       ARG   1  -8.148 -13.032  -0.804
    3   3H    ARG   1          3HT       ARG   1  -7.518 -13.403   0.748
    4    HA   ARG   1           HA       ARG   1  -6.017 -11.469   0.464
    5   1HB   ARG   1          2HB       ARG   1  -6.689  -9.823  -1.195
    6   2HB   ARG   1          1HB       ARG   1  -6.318 -11.350  -1.983
    7   1HG   ARG   1          2HG       ARG   1  -8.571 -11.810  -2.411
    8   2HG   ARG   1          1HG       ARG   1  -9.126 -10.599  -1.254
    9   1HD   ARG   1          2HD       ARG   1  -9.465  -9.704  -3.431
   10   2HD   ARG   1          1HD       ARG   1  -8.094  -8.855  -2.721
   11    HE   ARG   1           HE       ARG   1  -6.726  -9.768  -4.322
   12   1HH1  ARG   1          1HH1      ARG   1  -9.814 -11.397  -4.381
   13   2HH1  ARG   1          2HH1      ARG   1  -9.474 -12.250  -5.849
   14   1HH2  ARG   1          1HH2      ARG   1  -6.282 -10.882  -6.253
   15   2HH2  ARG   1          2HH2      ARG   1  -7.468 -11.957  -6.913
   16    HA   PRO   2           HA       PRO   2  -8.998  -9.989   3.391
   17   1HB   PRO   2          2HB       PRO   2  -7.547  -7.447   3.484
   18   2HB   PRO   2          1HB       PRO   2  -7.738  -8.677   4.740
   19   1HG   PRO   2          2HG       PRO   2  -5.382  -8.237   3.489
   20   2HG   PRO   2          1HG       PRO   2  -5.872  -9.836   4.077
   21   1HD   PRO   2          2HD       PRO   2  -5.927  -8.742   1.294
   22   2HD   PRO   2          1HD       PRO   2  -5.480 -10.365   1.862
   23    H    ASP   3           H        ASP   3 -10.921  -9.085   3.174
   24    HA   ASP   3           HA       ASP   3 -11.925  -7.983   0.890
   25   1HB   ASP   3          2HB       ASP   3 -12.801  -8.236   3.649
   26   2HB   ASP   3          1HB       ASP   3 -13.464  -6.797   2.882
   27    H    PHE   4           H        PHE   4 -11.097  -6.047   3.779
   28    HA   PHE   4           HA       PHE   4 -11.654  -3.568   2.753
   29   1HB   PHE   4          2HB       PHE   4  -9.840  -2.740   4.334
   30   2HB   PHE   4          1HB       PHE   4 -11.159  -3.673   5.043
   31    HD1  PHE   4           1HD      PHE   4 -10.723  -5.645   6.228
   32    HD2  PHE   4           2HD      PHE   4  -7.656  -3.860   3.883
   33    HE1  PHE   4           1HE      PHE   4  -9.075  -7.180   7.222
   34    HE2  PHE   4           2HE      PHE   4  -6.004  -5.393   4.870
   35    HZ   PHE   4           HZ       PHE   4  -6.713  -7.053   6.540
   36    H    CYS   5           H        CYS   5  -8.906  -5.570   1.985
   37    HA   CYS   5           HA       CYS   5  -7.151  -3.601   1.038
   38   1HB   CYS   5          2HB       CYS   5  -7.478  -6.453   0.110
   39   2HB   CYS   5          1HB       CYS   5  -6.148  -5.390  -0.333
   40    H    LEU   6           H        LEU   6 -10.102  -4.769  -0.182
   41    HA   LEU   6           HA       LEU   6  -9.647  -3.998  -2.930
   42   1HB   LEU   6          2HB       LEU   6 -12.313  -4.562  -1.648
   43   2HB   LEU   6          1HB       LEU   6 -11.874  -4.707  -3.338
   44    HG   LEU   6           HG       LEU   6 -10.784  -6.480  -1.149
   45   1HD1  LEU   6          1HD1      LEU   6 -12.686  -7.487  -3.185
   46   2HD1  LEU   6          2HD1      LEU   6 -13.342  -6.524  -1.861
   47   3HD1  LEU   6          3HD1      LEU   6 -12.432  -7.993  -1.515
   48   1HD2  LEU   6          1HD2      LEU   6 -10.758  -7.445  -3.895
   49   2HD2  LEU   6          2HD2      LEU   6  -9.467  -7.412  -2.694
   50   3HD2  LEU   6          3HD2      LEU   6  -9.793  -5.984  -3.675
   51    H    GLU   7           H        GLU   7 -10.271  -2.332  -0.112
   52    HA   GLU   7           HA       GLU   7 -12.107  -0.373  -1.041
   53   1HB   GLU   7          2HB       GLU   7 -10.112  -0.193   1.219
   54   2HB   GLU   7          1HB       GLU   7 -11.456   0.905   0.947
   55   1HG   GLU   7          2HG       GLU   7 -11.932  -2.021   1.312
   56   2HG   GLU   7          1HG       GLU   7 -11.701  -0.958   2.699
   57    HA   PRO   8           HA       PRO   8  -9.116   1.808  -3.561
   58   1HB   PRO   8          2HB       PRO   8 -11.263   3.723  -4.059
   59   2HB   PRO   8          1HB       PRO   8 -10.456   2.638  -5.193
   60   1HG   PRO   8          2HG       PRO   8 -13.026   2.293  -4.420
   61   2HG   PRO   8          1HG       PRO   8 -11.961   0.942  -4.847
   62   1HD   PRO   8          2HD       PRO   8 -12.759   1.945  -2.140
   63   2HD   PRO   8          1HD       PRO   8 -12.582   0.274  -2.720
   64    HA   PRO   9           HA       PRO   9  -8.026   5.121  -0.813
   65   1HB   PRO   9          2HB       PRO   9  -6.219   6.259  -2.725
   66   2HB   PRO   9          1HB       PRO   9  -5.838   5.209  -1.360
   67   1HG   PRO   9          2HG       PRO   9  -5.573   4.504  -4.019
   68   2HG   PRO   9          1HG       PRO   9  -5.713   3.358  -2.675
   69   1HD   PRO   9          2HD       PRO   9  -7.787   4.277  -4.616
   70   2HD   PRO   9          1HD       PRO   9  -7.533   2.669  -3.899
   71    H    TYR  10           H        TYR  10  -7.470   7.620  -1.090
   72    HA   TYR  10           HA       TYR  10  -9.076   8.940  -3.101
   73   1HB   TYR  10          2HB       TYR  10 -10.598  10.008  -1.598
   74   2HB   TYR  10          1HB       TYR  10 -10.658   8.281  -1.270
   75    HD1  TYR  10           1HD      TYR  10  -8.655   7.634   0.551
   76    HD2  TYR  10           2HD      TYR  10 -10.810  11.293   0.297
   77    HE1  TYR  10           1HE      TYR  10  -8.200   8.060   2.927
   78    HE2  TYR  10           2HE      TYR  10 -10.359  11.730   2.674
   79    HH   TYR  10           HH       TYR  10  -9.760   9.903   4.799
   80    H    ALA  11           H        ALA  11  -8.897  11.306  -2.985
   81    HA   ALA  11           HA       ALA  11  -6.563  12.244  -1.471
   82   1HB   ALA  11          1HB       ALA  11  -5.558  13.256  -3.342
   83   2HB   ALA  11          2HB       ALA  11  -6.988  13.010  -4.345
   84   3HB   ALA  11          3HB       ALA  11  -5.996  11.631  -3.869
   85    H    GLY  12           H        GLY  12  -7.395  13.728  -0.147
   86   1HA   GLY  12          2HA       GLY  12  -8.302  16.205  -0.997
   87   2HA   GLY  12          1HA       GLY  12  -9.739  15.232  -0.710
   88    H    ALA  13           H        ALA  13  -8.576  17.635   0.666
   89    HA   ALA  13           HA       ALA  13  -8.609  18.457   2.786
   90   1HB   ALA  13          1HB       ALA  13 -10.363  16.409   2.936
   91   2HB   ALA  13          2HB       ALA  13  -9.971  17.474   4.287
   92   3HB   ALA  13          3HB       ALA  13  -9.175  15.907   4.138
   93    H    CYS  14           H        CYS  14  -6.234  17.432   1.600
   94    HA   CYS  14           HA       CYS  14  -4.554  17.375   3.914
   95   1HB   CYS  14          2HB       CYS  14  -3.639  15.112   2.404
   96   2HB   CYS  14          1HB       CYS  14  -4.070  15.198   4.105
   97    H    ARG  15           H        ARG  15  -2.196  17.291   3.246
   98    HA   ARG  15           HA       ARG  15  -1.625  17.813   0.476
   99   1HB   ARG  15          2HB       ARG  15  -2.559  19.974   1.369
  100   2HB   ARG  15          1HB       ARG  15  -1.145  20.067   2.410
  101   1HG   ARG  15          2HG       ARG  15  -0.660  19.643  -0.475
  102   2HG   ARG  15          1HG       ARG  15  -1.265  21.227   0.017
  103   1HD   ARG  15          2HD       ARG  15   0.630  20.996   1.838
  104   2HD   ARG  15          1HD       ARG  15   1.315  19.891   0.649
  105    HE   ARG  15           HE       ARG  15   0.535  22.577  -0.211
  106   1HH1  ARG  15          1HH1      ARG  15   3.075  20.280   0.492
  107   2HH1  ARG  15          2HH1      ARG  15   4.291  21.191  -0.336
  108   1HH2  ARG  15          1HH2      ARG  15   2.138  23.767  -1.294
  109   2HH2  ARG  15          2HH2      ARG  15   3.762  23.168  -1.346
  110    H    ALA  16           H        ALA  16   0.073  16.499   0.319
  111    HA   ALA  16           HA       ALA  16   2.227  15.788   0.483
  112   1HB   ALA  16          1HB       ALA  16   2.842  17.881   2.525
  113   2HB   ALA  16          2HB       ALA  16   2.585  18.319   0.836
  114   3HB   ALA  16          3HB       ALA  16   3.879  17.203   1.270
  115    H    ALA  17           H        ALA  17   2.032  13.834   1.406
  116    HA   ALA  17           HA       ALA  17   2.868  13.513   4.064
  117   1HB   ALA  17          1HB       ALA  17   0.221  12.237   3.672
  118   2HB   ALA  17          2HB       ALA  17   0.266  13.953   4.073
  119   3HB   ALA  17          3HB       ALA  17   1.000  12.775   5.159
  120    H    ALA  18           H        ALA  18   3.982  12.748   1.753
  121    HA   ALA  18           HA       ALA  18   3.317  10.101   0.951
  122   1HB   ALA  18          1HB       ALA  18   5.785  10.309   0.014
  123   2HB   ALA  18          2HB       ALA  18   5.505  12.014   0.369
  124   3HB   ALA  18          3HB       ALA  18   4.427  11.154  -0.730
  125    H    ALA  19           H        ALA  19   3.261   8.830   2.814
  126    HA   ALA  19           HA       ALA  19   5.775   7.654   3.526
  127   1HB   ALA  19          1HB       ALA  19   5.781   8.124   5.870
  128   2HB   ALA  19          2HB       ALA  19   4.249   8.991   5.751
  129   3HB   ALA  19          3HB       ALA  19   5.700   9.659   5.004
  130    H    ARG  20           H        ARG  20   2.974   7.062   2.522
  131    HA   ARG  20           HA       ARG  20   2.609   4.651   4.108
  132   1HB   ARG  20          2HB       ARG  20   0.365   6.611   3.570
  133   2HB   ARG  20          1HB       ARG  20   0.163   5.005   4.274
  134   1HG   ARG  20          2HG       ARG  20   1.498   5.659   6.190
  135   2HG   ARG  20          1HG       ARG  20   1.741   7.260   5.490
  136   1HD   ARG  20          2HD       ARG  20  -0.214   7.968   6.269
  137   2HD   ARG  20          1HD       ARG  20  -1.057   6.592   5.558
  138    HE   ARG  20           HE       ARG  20  -0.016   5.450   7.689
  139   1HH1  ARG  20          1HH1      ARG  20  -1.625   8.537   7.392
  140   2HH1  ARG  20          2HH1      ARG  20  -2.209   8.532   9.021
  141   1HH2  ARG  20          1HH2      ARG  20  -0.780   5.451   9.842
  142   2HH2  ARG  20          2HH2      ARG  20  -1.732   6.782  10.410
  143    H    TYR  21           H        TYR  21   0.964   3.174   3.018
  144    HA   TYR  21           HA       TYR  21   0.865   3.610   0.118
  145   1HB   TYR  21          2HB       TYR  21   1.827   1.060   1.428
  146   2HB   TYR  21          1HB       TYR  21   1.589   1.302  -0.300
  147    HD1  TYR  21           1HD      TYR  21   3.580   2.499   2.606
  148    HD2  TYR  21           2HD      TYR  21   3.312   2.187  -1.629
  149    HE1  TYR  21           1HE      TYR  21   5.900   3.287   2.403
  150    HE2  TYR  21           2HE      TYR  21   5.631   2.973  -1.839
  151    HH   TYR  21           HH       TYR  21   7.255   4.270  -0.553
  152    H    PHE  22           H        PHE  22  -0.483   1.780  -0.925
  153    HA   PHE  22           HA       PHE  22  -2.621   0.774   0.790
  154   1HB   PHE  22          2HB       PHE  22  -4.341   1.662  -0.818
  155   2HB   PHE  22          1HB       PHE  22  -3.583   2.866   0.204
  156    HD1  PHE  22           1HD      PHE  22  -3.706   1.465  -3.193
  157    HD2  PHE  22           2HD      PHE  22  -2.311   4.644  -0.737
  158    HE1  PHE  22           1HE      PHE  22  -3.099   2.744  -5.202
  159    HE2  PHE  22           2HE      PHE  22  -1.705   5.926  -2.744
  160    HZ   PHE  22           HZ       PHE  22  -2.095   4.979  -4.978
  161    H    TYR  23           H        TYR  23  -3.918  -0.856  -0.246
  162    HA   TYR  23           HA       TYR  23  -2.368  -2.317  -2.244
  163   1HB   TYR  23          2HB       TYR  23  -3.268  -3.565  -0.341
  164   2HB   TYR  23          1HB       TYR  23  -4.915  -3.119  -0.807
  165    HD1  TYR  23           1HD      TYR  23  -6.103  -4.461  -2.327
  166    HD2  TYR  23           2HD      TYR  23  -1.890  -4.923  -2.004
  167    HE1  TYR  23           1HE      TYR  23  -6.218  -6.433  -3.787
  168    HE2  TYR  23           2HE      TYR  23  -1.989  -6.899  -3.462
  169    HH   TYR  23           HH       TYR  23  -3.409  -8.456  -4.371
  170    H    ASN  24           H        ASN  24  -2.992  -2.757  -4.296
  171    HA   ASN  24           HA       ASN  24  -5.408  -1.374  -5.276
  172   1HB   ASN  24          2HB       ASN  24  -3.317  -0.370  -6.102
  173   2HB   ASN  24          1HB       ASN  24  -2.818  -1.935  -6.748
  174   1HD2  ASN  24          1HD2      ASN  24  -3.309   0.649  -8.046
  175   2HD2  ASN  24          2HD2      ASN  24  -4.461   0.311  -9.297
  176    H    ALA  25           H        ALA  25  -6.781  -3.159  -5.044
  177    HA   ALA  25           HA       ALA  25  -6.282  -5.784  -5.767
  178   1HB   ALA  25          1HB       ALA  25  -8.491  -6.150  -5.408
  179   2HB   ALA  25          2HB       ALA  25  -8.993  -4.750  -6.354
  180   3HB   ALA  25          3HB       ALA  25  -8.395  -4.533  -4.709
  181    H    LYS  26           H        LYS  26  -7.004  -3.029  -7.777
  182    HA   LYS  26           HA       LYS  26  -7.564  -4.567 -10.143
  183   1HB   LYS  26          2HB       LYS  26  -8.399  -2.200  -9.564
  184   2HB   LYS  26          1HB       LYS  26  -6.815  -1.655 -10.095
  185   1HG   LYS  26          2HG       LYS  26  -7.231  -2.116 -12.286
  186   2HG   LYS  26          1HG       LYS  26  -8.353  -3.427 -11.911
  187   1HD   LYS  26          2HD       LYS  26  -9.839  -1.509 -10.956
  188   2HD   LYS  26          1HD       LYS  26  -8.834  -0.475 -11.974
  189   1HE   LYS  26          2HE       LYS  26  -9.761  -1.236 -13.880
  190   2HE   LYS  26          1HE       LYS  26  -9.857  -2.895 -13.288
  191   1HZ   LYS  26          1HZ       LYS  26 -12.049  -1.924 -13.649
  192   2HZ   LYS  26          2HZ       LYS  26 -11.711  -0.700 -12.533
  193   3HZ   LYS  26          3HZ       LYS  26 -11.813  -2.307 -12.018
  194    H    ALA  27           H        ALA  27  -4.739  -4.038  -8.500
  195    HA   ALA  27           HA       ALA  27  -3.170  -4.448 -10.949
  196   1HB   ALA  27          1HB       ALA  27  -3.176  -2.034  -9.788
  197   2HB   ALA  27          2HB       ALA  27  -1.780  -2.702 -10.634
  198   3HB   ALA  27          3HB       ALA  27  -1.875  -2.801  -8.876
  199    H    GLY  28           H        GLY  28  -3.963  -5.637  -7.968
  200   1HA   GLY  28          2HA       GLY  28  -3.149  -7.377  -6.753
  201   2HA   GLY  28          1HA       GLY  28  -2.008  -7.623  -8.049
  202    H    LEU  29           H        LEU  29  -1.318  -4.588  -7.281
  203    HA   LEU  29           HA       LEU  29   0.462  -5.326  -5.060
  204   1HB   LEU  29          2HB       LEU  29   1.095  -4.251  -7.706
  205   2HB   LEU  29          1HB       LEU  29   1.814  -3.334  -6.396
  206    HG   LEU  29           HG       LEU  29   2.245  -6.118  -5.897
  207   1HD1  LEU  29          1HD1      LEU  29   3.878  -6.202  -8.003
  208   2HD1  LEU  29          2HD1      LEU  29   2.565  -5.261  -8.711
  209   3HD1  LEU  29          3HD1      LEU  29   2.242  -6.859  -8.037
  210   1HD2  LEU  29          1HD2      LEU  29   3.567  -4.149  -5.105
  211   2HD2  LEU  29          2HD2      LEU  29   4.224  -4.006  -6.736
  212   3HD2  LEU  29          3HD2      LEU  29   4.534  -5.459  -5.784
  213    H    CYS  30           H        CYS  30   1.514  -3.178  -4.160
  214    HA   CYS  30           HA       CYS  30  -0.749  -1.456  -3.491
  215   1HB   CYS  30          2HB       CYS  30   1.913  -1.265  -2.136
  216   2HB   CYS  30          1HB       CYS  30   0.315  -0.907  -1.502
  217    H    GLN  31           H        GLN  31  -0.103   0.852  -2.971
  218    HA   GLN  31           HA       GLN  31   1.888   1.957  -4.779
  219   1HB   GLN  31          2HB       GLN  31  -1.001   2.078  -5.243
  220   2HB   GLN  31          1HB       GLN  31  -0.232   3.658  -5.247
  221   1HG   GLN  31          2HG       GLN  31   0.318   3.292  -7.353
  222   2HG   GLN  31          1HG       GLN  31   1.436   2.052  -6.787
  223   1HE2  GLN  31          1HE2      GLN  31  -1.070   2.653  -8.827
  224   2HE2  GLN  31          2HE2      GLN  31  -1.647   1.042  -9.061
  225    H    THR  32           H        THR  32   2.698   3.934  -4.114
  226    HA   THR  32           HA       THR  32   2.171   4.650  -1.390
  227    HB   THR  32           HB       THR  32   4.421   4.767  -2.711
  228    HG1  THR  32           1HG      THR  32   4.164   5.445  -0.552
  229   1HG2  THR  32          1HG2      THR  32   4.994   6.987  -3.515
  230   2HG2  THR  32          2HG2      THR  32   3.325   7.510  -3.294
  231   3HG2  THR  32          3HG2      THR  32   3.710   6.270  -4.487
  232    H    PHE  33           H        PHE  33   1.085   6.352  -0.575
  233    HA   PHE  33           HA       PHE  33  -1.064   7.423  -1.949
  234   1HB   PHE  33          2HB       PHE  33   0.373   8.256   0.553
  235   2HB   PHE  33          1HB       PHE  33  -0.962   9.219  -0.071
  236    HD1  PHE  33           1HD      PHE  33   0.004   6.167   1.598
  237    HD2  PHE  33           2HD      PHE  33  -3.229   8.235  -0.236
  238    HE1  PHE  33           1HE      PHE  33  -1.579   4.606   2.650
  239    HE2  PHE  33           2HE      PHE  33  -4.822   6.680   0.821
  240    HZ   PHE  33           HZ       PHE  33  -3.994   4.864   2.265
  241    H    ALA  34           H        ALA  34  -1.270   8.925  -3.456
  242    HA   ALA  34           HA       ALA  34   0.981  10.406  -4.404
  243   1HB   ALA  34          1HB       ALA  34  -0.257  10.815  -6.257
  244   2HB   ALA  34          2HB       ALA  34  -1.736  11.110  -5.342
  245   3HB   ALA  34          3HB       ALA  34  -1.188   9.457  -5.625
  246    H    TYR  35           H        TYR  35   0.109  12.817  -5.172
  247    HA   TYR  35           HA       TYR  35   0.582  14.480  -3.030
  248   1HB   TYR  35          2HB       TYR  35   0.500  14.959  -5.599
  249   2HB   TYR  35          1HB       TYR  35  -1.172  15.417  -5.281
  250    HD1  TYR  35           1HD      TYR  35   2.329  16.330  -4.858
  251    HD2  TYR  35           2HD      TYR  35  -1.675  17.347  -3.840
  252    HE1  TYR  35           1HE      TYR  35   3.088  18.548  -4.114
  253    HE2  TYR  35           2HE      TYR  35  -0.927  19.569  -3.095
  254    HH   TYR  35           HH       TYR  35   1.117  20.659  -2.313
  255    H    GLY  36           H        GLY  36  -0.638  15.658  -1.621
  256   1HA   GLY  36          2HA       GLY  36  -2.288  15.964  -0.105
  257   2HA   GLY  36          1HA       GLY  36  -3.222  16.260  -1.543
  258    H    ALA  37           H        ALA  37  -2.047  13.030  -1.211
  259    HA   ALA  37           HA       ALA  37  -4.699  12.005  -1.035
  260   1HB   ALA  37          1HB       ALA  37  -2.469  10.200  -0.365
  261   2HB   ALA  37          2HB       ALA  37  -2.392  10.970  -1.949
  262   3HB   ALA  37          3HB       ALA  37  -3.792   9.993  -1.511
  263    H    CYS  38           H        CYS  38  -4.915  10.060   0.714
  264    HA   CYS  38           HA       CYS  38  -3.928  10.832   3.318
  265   1HB   CYS  38          2HB       CYS  38  -6.620  11.553   2.412
  266   2HB   CYS  38          1HB       CYS  38  -6.600  10.660   3.930
  267    H    ALA  39           H        ALA  39  -4.293   9.284   4.934
  268    HA   ALA  39           HA       ALA  39  -4.383   6.593   3.994
  269   1HB   ALA  39          1HB       ALA  39  -4.461   7.569   6.846
  270   2HB   ALA  39          2HB       ALA  39  -2.989   7.356   5.900
  271   3HB   ALA  39          3HB       ALA  39  -3.999   5.962   6.283
  272    H    ALA  40           H        ALA  40  -5.968   5.065   4.169
  273    HA   ALA  40           HA       ALA  40  -8.649   6.063   4.736
  274   1HB   ALA  40          1HB       ALA  40  -8.944   4.916   2.825
  275   2HB   ALA  40          2HB       ALA  40  -9.035   3.515   3.893
  276   3HB   ALA  40          3HB       ALA  40  -7.518   3.911   3.087
  277    H    LYS  41           H        LYS  41 -10.057   3.951   5.542
  278    HA   LYS  41           HA       LYS  41  -9.523   3.773   8.283
  279   1HB   LYS  41          2HB       LYS  41 -11.557   2.874   6.480
  280   2HB   LYS  41          1HB       LYS  41 -11.112   1.536   7.530
  281   1HG   LYS  41          2HG       LYS  41 -11.358   3.882   9.120
  282   2HG   LYS  41          1HG       LYS  41 -12.788   3.737   8.097
  283   1HD   LYS  41          2HD       LYS  41 -11.919   1.224   9.338
  284   2HD   LYS  41          1HD       LYS  41 -12.441   2.462  10.481
  285   1HE   LYS  41          2HE       LYS  41 -14.562   2.001  10.015
  286   2HE   LYS  41          1HE       LYS  41 -14.288   2.428   8.326
  287   1HZ   LYS  41          1HZ       LYS  41 -13.320   0.042   8.206
  288   2HZ   LYS  41          2HZ       LYS  41 -14.997   0.264   8.171
  289   3HZ   LYS  41          3HZ       LYS  41 -14.239  -0.221   9.601
  290    H    ARG  42           H        ARG  42  -9.760   0.831   6.305
  291    HA   ARG  42           HA       ARG  42  -7.689  -0.373   7.927
  292   1HB   ARG  42          2HB       ARG  42  -9.079  -1.738   5.647
  293   2HB   ARG  42          1HB       ARG  42  -8.352  -2.456   7.073
  294   1HG   ARG  42          2HG       ARG  42 -10.639  -0.624   7.503
  295   2HG   ARG  42          1HG       ARG  42 -10.975  -2.200   6.779
  296   1HD   ARG  42          2HD       ARG  42  -9.422  -3.033   8.745
  297   2HD   ARG  42          1HD       ARG  42  -9.952  -1.530   9.493
  298    HE   ARG  42           HE       ARG  42 -11.624  -3.832   8.815
  299   1HH1  ARG  42          1HH1      ARG  42 -11.384  -0.613  10.158
  300   2HH1  ARG  42          2HH1      ARG  42 -12.908  -0.709  10.972
  301   1HH2  ARG  42          1HH2      ARG  42 -13.631  -3.945   9.879
  302   2HH2  ARG  42          2HH2      ARG  42 -14.184  -2.594  10.811
  303    H    ASN  43           H        ASN  43  -8.176   0.709   4.618
  304    HA   ASN  43           HA       ASN  43  -5.814  -0.480   3.579
  305   1HB   ASN  43          2HB       ASN  43  -8.086   0.771   2.568
  306   2HB   ASN  43          1HB       ASN  43  -6.781   1.884   2.165
  307   1HD2  ASN  43          1HD2      ASN  43  -7.893  -1.367   1.978
  308   2HD2  ASN  43          2HD2      ASN  43  -7.043  -1.810   0.525
  309    H    ASN  44           H        ASN  44  -4.455   0.337   5.432
  310    HA   ASN  44           HA       ASN  44  -3.015   2.683   4.548
  311   1HB   ASN  44          2HB       ASN  44  -3.158   3.836   6.728
  312   2HB   ASN  44          1HB       ASN  44  -4.731   3.704   5.947
  313   1HD2  ASN  44          1HD2      ASN  44  -4.532   4.215   8.623
  314   2HD2  ASN  44          2HD2      ASN  44  -5.085   2.848   9.523
  315    H    PHE  45           H        PHE  45  -1.215   1.340   4.290
  316    HA   PHE  45           HA       PHE  45  -0.182   0.081   6.735
  317   1HB   PHE  45          2HB       PHE  45   0.507  -0.415   3.825
  318   2HB   PHE  45          1HB       PHE  45   1.243  -1.239   5.199
  319    HD1  PHE  45           1HD      PHE  45  -0.095  -2.784   6.581
  320    HD2  PHE  45           2HD      PHE  45  -1.658  -1.012   3.042
  321    HE1  PHE  45           1HE      PHE  45  -1.909  -4.443   6.556
  322    HE2  PHE  45           2HE      PHE  45  -3.475  -2.668   3.009
  323    HZ   PHE  45           HZ       PHE  45  -3.604  -4.388   4.768
  324    H    LYS  46           H        LYS  46   1.632   0.858   7.650
  325    HA   LYS  46           HA       LYS  46   2.672   3.354   6.906
  326   1HB   LYS  46          2HB       LYS  46   4.493   2.804   8.576
  327   2HB   LYS  46          1HB       LYS  46   2.843   2.734   9.181
  328   1HG   LYS  46          2HG       LYS  46   3.815   0.183   8.150
  329   2HG   LYS  46          1HG       LYS  46   4.749   0.805   9.512
  330   1HD   LYS  46          2HD       LYS  46   1.810   0.958   9.767
  331   2HD   LYS  46          1HD       LYS  46   2.508  -0.661   9.787
  332   1HE   LYS  46          2HE       LYS  46   3.118   1.639  11.632
  333   2HE   LYS  46          1HE       LYS  46   2.386   0.089  12.043
  334   1HZ   LYS  46          1HZ       LYS  46   5.169   0.784  11.711
  335   2HZ   LYS  46          2HZ       LYS  46   4.727  -0.663  10.959
  336   3HZ   LYS  46          3HZ       LYS  46   4.464  -0.458  12.618
  337    H    SER  47           H        SER  47   3.303   0.316   5.565
  338    HA   SER  47           HA       SER  47   5.416   1.428   3.944
  339   1HB   SER  47          2HB       SER  47   6.565  -1.009   4.610
  340   2HB   SER  47          1HB       SER  47   7.095   0.579   5.167
  341    HG   SER  47           HG       SER  47   5.796  -1.428   6.525
  342    H    ALA  48           H        ALA  48   5.774   0.291   2.023
  343    HA   ALA  48           HA       ALA  48   3.557  -1.086   0.981
  344   1HB   ALA  48          1HB       ALA  48   5.803  -1.838  -0.550
  345   2HB   ALA  48          2HB       ALA  48   6.113  -0.197   0.011
  346   3HB   ALA  48          3HB       ALA  48   4.643  -0.556  -0.897
  347    H    GLU  49           H        GLU  49   6.530  -2.169   2.493
  348    HA   GLU  49           HA       GLU  49   6.289  -4.913   1.921
  349   1HB   GLU  49          2HB       GLU  49   8.116  -3.357   3.269
  350   2HB   GLU  49          1HB       GLU  49   7.367  -4.257   4.580
  351   1HG   GLU  49          2HG       GLU  49   7.846  -6.182   2.664
  352   2HG   GLU  49          1HG       GLU  49   9.256  -5.127   2.564
  353    H    ASP  50           H        ASP  50   4.970  -2.806   4.397
  354    HA   ASP  50           HA       ASP  50   3.736  -4.828   5.955
  355   1HB   ASP  50          2HB       ASP  50   3.932  -1.969   5.996
  356   2HB   ASP  50          1HB       ASP  50   2.239  -2.426   6.177
  357    H    CYS  51           H        CYS  51   2.528  -2.711   3.321
  358    HA   CYS  51           HA       CYS  51  -0.125  -3.651   3.347
  359   1HB   CYS  51          2HB       CYS  51   0.257  -1.688   2.112
  360   2HB   CYS  51          1HB       CYS  51   1.630  -2.385   1.250
  361    H    LEU  52           H        LEU  52   2.585  -4.604   1.242
  362    HA   LEU  52           HA       LEU  52   1.351  -6.646  -0.148
  363   1HB   LEU  52          2HB       LEU  52   4.217  -6.302   0.714
  364   2HB   LEU  52          1HB       LEU  52   3.695  -7.601  -0.340
  365    HG   LEU  52           HG       LEU  52   3.526  -4.647  -0.924
  366   1HD1  LEU  52          1HD1      LEU  52   4.991  -5.593  -2.896
  367   2HD1  LEU  52          2HD1      LEU  52   5.371  -6.840  -1.710
  368   3HD1  LEU  52          3HD1      LEU  52   5.712  -5.148  -1.350
  369   1HD2  LEU  52          1HD2      LEU  52   1.601  -5.746  -1.872
  370   2HD2  LEU  52          2HD2      LEU  52   2.616  -7.017  -2.552
  371   3HD2  LEU  52          3HD2      LEU  52   2.745  -5.366  -3.156
  372    H    ARG  53           H        ARG  53   3.001  -6.803   2.994
  373    HA   ARG  53           HA       ARG  53   2.910  -9.583   3.315
  374   1HB   ARG  53          2HB       ARG  53   3.595  -7.318   4.915
  375   2HB   ARG  53          1HB       ARG  53   2.547  -8.361   5.864
  376   1HG   ARG  53          2HG       ARG  53   4.033 -10.237   5.495
  377   2HG   ARG  53          1HG       ARG  53   5.060  -9.242   4.461
  378   1HD   ARG  53          2HD       ARG  53   5.962  -9.473   6.741
  379   2HD   ARG  53          1HD       ARG  53   5.600  -7.799   6.319
  380    HE   ARG  53           HE       ARG  53   3.531  -9.243   7.758
  381   1HH1  ARG  53          1HH1      ARG  53   6.229  -7.028   7.935
  382   2HH1  ARG  53          2HH1      ARG  53   5.745  -6.370   9.460
  383   1HH2  ARG  53          1HH2      ARG  53   2.902  -8.379   9.765
  384   2HH2  ARG  53          2HH2      ARG  53   3.859  -7.136  10.501
  385    H    THR  54           H        THR  54   0.629  -7.109   4.485
  386    HA   THR  54           HA       THR  54  -1.225  -9.083   5.438
  387    HB   THR  54           HB       THR  54  -1.625  -6.108   5.069
  388    HG1  THR  54           1HG      THR  54  -1.100  -6.076   7.324
  389   1HG2  THR  54          1HG2      THR  54  -3.030  -7.949   6.982
  390   2HG2  THR  54          2HG2      THR  54  -3.701  -7.459   5.425
  391   3HG2  THR  54          3HG2      THR  54  -3.369  -6.248   6.665
  392    H    CYS  55           H        CYS  55  -1.490  -6.570   2.915
  393    HA   CYS  55           HA       CYS  55  -3.865  -7.738   1.859
  394   1HB   CYS  55          2HB       CYS  55  -2.122  -5.429   1.055
  395   2HB   CYS  55          1HB       CYS  55  -3.383  -6.012  -0.026
  396    H    GLY  56           H        GLY  56  -0.475  -7.670   0.815
  397   1HA   GLY  56          2HA       GLY  56  -0.959  -8.943  -1.683
  398   2HA   GLY  56          1HA       GLY  56   0.601  -8.810  -0.883
  399    H    GLY  57           H        GLY  57   1.033 -10.379   0.876
  400   1HA   GLY  57          2HA       GLY  57   0.797 -13.000   0.072
  401   2HA   GLY  57          1HA       GLY  57   1.085 -12.512   1.734
  402    H    ALA  58           H        ALA  58  -0.772 -14.454   0.009
  403    HA   ALA  58           HA       ALA  58  -2.791 -14.633   2.029
  404   1HB   ALA  58          1HB       ALA  58  -4.722 -14.151   0.699
  405   2HB   ALA  58          2HB       ALA  58  -3.729 -13.888  -0.734
  406   3HB   ALA  58          3HB       ALA  58  -3.637 -12.763   0.621
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1  -8.916 -11.551  -0.682
    2   2H    ARG   1          2HT       ARG   1  -7.769 -12.516   0.154
    3   3H    ARG   1          3HT       ARG   1  -7.397 -11.888  -1.399
    4    HA   ARG   1           HA       ARG   1  -6.390 -10.757   0.568
    5   1HB   ARG   1          2HB       ARG   1  -6.614  -8.602  -0.529
    6   2HB   ARG   1          1HB       ARG   1  -6.496  -9.873  -1.738
    7   1HG   ARG   1          2HG       ARG   1  -9.243  -9.260  -0.993
    8   2HG   ARG   1          1HG       ARG   1  -8.377  -7.880  -1.670
    9   1HD   ARG   1          2HD       ARG   1  -8.852  -8.725  -3.677
   10   2HD   ARG   1          1HD       ARG   1  -7.667  -9.981  -3.323
   11    HE   ARG   1           HE       ARG   1 -10.269 -10.578  -2.289
   12   1HH1  ARG   1          1HH1      ARG   1  -8.249 -10.709  -5.132
   13   2HH1  ARG   1          2HH1      ARG   1  -9.131 -12.015  -5.851
   14   1HH2  ARG   1          1HH2      ARG   1 -11.430 -12.294  -3.234
   15   2HH2  ARG   1          2HH2      ARG   1 -10.937 -12.914  -4.774
   16    HA   PRO   2           HA       PRO   2  -9.027  -9.506   3.862
   17   1HB   PRO   2          2HB       PRO   2  -7.454  -7.022   4.108
   18   2HB   PRO   2          1HB       PRO   2  -7.694  -8.326   5.280
   19   1HG   PRO   2          2HG       PRO   2  -5.351  -7.981   4.007
   20   2HG   PRO   2          1HG       PRO   2  -5.966  -9.590   4.432
   21   1HD   PRO   2          2HD       PRO   2  -5.949  -8.203   1.785
   22   2HD   PRO   2          1HD       PRO   2  -5.688  -9.919   2.167
   23    H    ASP   3           H        ASP   3 -10.883  -8.420   4.079
   24    HA   ASP   3           HA       ASP   3 -12.153  -7.140   2.052
   25   1HB   ASP   3          2HB       ASP   3 -12.728  -7.717   4.719
   26   2HB   ASP   3          1HB       ASP   3 -12.973  -5.978   4.586
   27    H    PHE   4           H        PHE   4 -10.801  -5.353   4.835
   28    HA   PHE   4           HA       PHE   4 -11.226  -2.805   3.895
   29   1HB   PHE   4          2HB       PHE   4  -9.212  -2.177   5.319
   30   2HB   PHE   4          1HB       PHE   4 -10.533  -3.017   6.131
   31    HD1  PHE   4           1HD      PHE   4  -7.117  -3.336   4.820
   32    HD2  PHE   4           2HD      PHE   4 -10.223  -5.186   7.060
   33    HE1  PHE   4           1HE      PHE   4  -5.523  -5.030   5.621
   34    HE2  PHE   4           2HE      PHE   4  -8.636  -6.883   7.864
   35    HZ   PHE   4           HZ       PHE   4  -6.283  -6.806   7.145
   36    H    CYS   5           H        CYS   5  -8.689  -5.027   2.934
   37    HA   CYS   5           HA       CYS   5  -6.926  -3.155   1.797
   38   1HB   CYS   5          2HB       CYS   5  -7.401  -6.040   1.057
   39   2HB   CYS   5          1HB       CYS   5  -6.074  -5.052   0.461
   40    H    LEU   6           H        LEU   6 -10.008  -4.205   0.849
   41    HA   LEU   6           HA       LEU   6  -9.698  -3.612  -1.963
   42   1HB   LEU   6          2HB       LEU   6 -12.300  -3.911  -0.481
   43   2HB   LEU   6          1HB       LEU   6 -11.995  -4.163  -2.188
   44    HG   LEU   6           HG       LEU   6 -10.827  -5.905  -0.022
   45   1HD1  LEU   6          1HD1      LEU   6 -13.374  -5.873  -0.188
   46   2HD1  LEU   6          2HD1      LEU   6 -12.567  -7.436  -0.314
   47   3HD1  LEU   6          3HD1      LEU   6 -13.155  -6.628  -1.767
   48   1HD2  LEU   6          1HD2      LEU   6 -10.809  -7.448  -2.151
   49   2HD2  LEU   6          2HD2      LEU   6  -9.513  -6.285  -1.864
   50   3HD2  LEU   6          3HD2      LEU   6 -10.806  -5.903  -3.001
   51    H    GLU   7           H        GLU   7 -10.161  -1.789   0.841
   52    HA   GLU   7           HA       GLU   7 -11.822   0.271  -0.215
   53   1HB   GLU   7          2HB       GLU   7  -9.890   0.400   2.108
   54   2HB   GLU   7          1HB       GLU   7 -11.189   1.537   1.772
   55   1HG   GLU   7          2HG       GLU   7 -11.737  -1.371   2.231
   56   2HG   GLU   7          1HG       GLU   7 -11.574  -0.233   3.568
   57    HA   PRO   8           HA       PRO   8  -8.425   2.106  -2.521
   58   1HB   PRO   8          2HB       PRO   8  -9.879   3.636  -4.149
   59   2HB   PRO   8          1HB       PRO   8  -9.861   1.877  -4.335
   60   1HG   PRO   8          2HG       PRO   8 -11.914   3.624  -3.039
   61   2HG   PRO   8          1HG       PRO   8 -12.148   2.239  -4.121
   62   1HD   PRO   8          2HD       PRO   8 -12.337   2.117  -1.371
   63   2HD   PRO   8          1HD       PRO   8 -11.964   0.728  -2.412
   64    HA   PRO   9           HA       PRO   9  -8.243   6.022  -0.399
   65   1HB   PRO   9          2HB       PRO   9  -5.785   6.752  -1.202
   66   2HB   PRO   9          1HB       PRO   9  -6.044   5.396  -0.101
   67   1HG   PRO   9          2HG       PRO   9  -5.231   5.380  -2.929
   68   2HG   PRO   9          1HG       PRO   9  -5.015   4.142  -1.686
   69   1HD   PRO   9          2HD       PRO   9  -7.032   4.279  -3.743
   70   2HD   PRO   9          1HD       PRO   9  -6.757   3.000  -2.538
   71    H    TYR  10           H        TYR  10  -8.606   8.161  -0.764
   72    HA   TYR  10           HA       TYR  10  -9.164   8.953  -3.505
   73   1HB   TYR  10          2HB       TYR  10 -10.079  11.035  -2.416
   74   2HB   TYR  10          1HB       TYR  10 -10.876   9.536  -1.953
   75    HD1  TYR  10           1HD      TYR  10  -9.078  12.432  -0.805
   76    HD2  TYR  10           2HD      TYR  10 -10.332   8.519   0.297
   77    HE1  TYR  10           1HE      TYR  10  -8.726  12.990   1.561
   78    HE2  TYR  10           2HE      TYR  10  -9.977   9.066   2.667
   79    HH   TYR  10           HH       TYR  10  -8.235  11.694   3.709
   80    H    ALA  11           H        ALA  11  -8.153  10.601  -4.607
   81    HA   ALA  11           HA       ALA  11  -5.686  11.649  -3.373
   82   1HB   ALA  11          1HB       ALA  11  -6.200  10.456  -6.027
   83   2HB   ALA  11          2HB       ALA  11  -4.753  10.411  -5.021
   84   3HB   ALA  11          3HB       ALA  11  -5.114  11.845  -5.980
   85    H    GLY  12           H        GLY  12  -6.048  13.709  -2.828
   86   1HA   GLY  12          2HA       GLY  12  -6.016  15.955  -3.936
   87   2HA   GLY  12          1HA       GLY  12  -7.469  15.429  -4.773
   88    H    ALA  13           H        ALA  13  -6.879  17.682  -2.870
   89    HA   ALA  13           HA       ALA  13  -7.976  18.828  -1.242
   90   1HB   ALA  13          1HB       ALA  13 -10.348  18.165  -0.792
   91   2HB   ALA  13          2HB       ALA  13 -10.106  16.793  -1.874
   92   3HB   ALA  13          3HB       ALA  13  -9.969  18.438  -2.493
   93    H    CYS  14           H        CYS  14  -6.075  17.190  -0.269
   94    HA   CYS  14           HA       CYS  14  -6.994  16.690   2.390
   95   1HB   CYS  14          2HB       CYS  14  -7.661  14.621   0.985
   96   2HB   CYS  14          1HB       CYS  14  -5.939  14.256   0.975
   97    H    ARG  15           H        ARG  15  -5.208  15.840   3.789
   98    HA   ARG  15           HA       ARG  15  -2.521  15.944   2.776
   99   1HB   ARG  15          2HB       ARG  15  -3.059  18.347   2.946
  100   2HB   ARG  15          1HB       ARG  15  -3.460  18.129   4.644
  101   1HG   ARG  15          2HG       ARG  15  -1.027  17.189   4.793
  102   2HG   ARG  15          1HG       ARG  15  -0.800  18.115   3.308
  103   1HD   ARG  15          2HD       ARG  15  -2.159  19.848   4.995
  104   2HD   ARG  15          1HD       ARG  15  -1.012  19.026   6.053
  105    HE   ARG  15           HE       ARG  15   0.419  19.776   3.820
  106   1HH1  ARG  15          1HH1      ARG  15  -1.432  21.389   6.301
  107   2HH1  ARG  15          2HH1      ARG  15  -0.495  22.843   6.229
  108   1HH2  ARG  15          1HH2      ARG  15   1.651  21.687   3.724
  109   2HH2  ARG  15          2HH2      ARG  15   1.255  23.013   4.765
  110    H    ALA  16           H        ALA  16  -2.646  13.816   3.745
  111    HA   ALA  16           HA       ALA  16  -1.647  13.796   6.416
  112   1HB   ALA  16          1HB       ALA  16  -3.932  12.057   6.555
  113   2HB   ALA  16          2HB       ALA  16  -4.434  13.710   6.198
  114   3HB   ALA  16          3HB       ALA  16  -3.457  13.374   7.628
  115    H    ALA  17           H        ALA  17  -0.780  11.802   7.039
  116    HA   ALA  17           HA       ALA  17   0.116   9.727   6.793
  117   1HB   ALA  17          1HB       ALA  17  -0.942   8.087   5.374
  118   2HB   ALA  17          2HB       ALA  17  -1.843   9.350   4.536
  119   3HB   ALA  17          3HB       ALA  17  -2.176   9.007   6.234
  120    H    ALA  18           H        ALA  18   1.784  11.422   5.978
  121    HA   ALA  18           HA       ALA  18   2.402  11.440   3.196
  122   1HB   ALA  18          1HB       ALA  18   3.992  12.951   3.730
  123   2HB   ALA  18          2HB       ALA  18   4.568  12.017   5.110
  124   3HB   ALA  18          3HB       ALA  18   3.120  13.010   5.261
  125    H    ALA  19           H        ALA  19   4.380  10.605   2.249
  126    HA   ALA  19           HA       ALA  19   5.390   8.643   1.538
  127   1HB   ALA  19          1HB       ALA  19   7.197   9.747   2.536
  128   2HB   ALA  19          2HB       ALA  19   7.282   8.096   3.151
  129   3HB   ALA  19          3HB       ALA  19   6.632   9.384   4.167
  130    H    ARG  20           H        ARG  20   3.364   7.344   1.760
  131    HA   ARG  20           HA       ARG  20   3.889   5.089   3.535
  132   1HB   ARG  20          2HB       ARG  20   1.332   6.679   3.497
  133   2HB   ARG  20          1HB       ARG  20   1.382   5.005   4.051
  134   1HG   ARG  20          2HG       ARG  20   3.338   6.888   5.230
  135   2HG   ARG  20          1HG       ARG  20   1.646   7.072   5.692
  136   1HD   ARG  20          2HD       ARG  20   2.214   4.318   5.786
  137   2HD   ARG  20          1HD       ARG  20   3.563   5.136   6.569
  138    HE   ARG  20           HE       ARG  20   0.741   5.383   7.362
  139   1HH1  ARG  20          1HH1      ARG  20   4.151   5.582   8.126
  140   2HH1  ARG  20          2HH1      ARG  20   3.879   5.886   9.807
  141   1HH2  ARG  20          1HH2      ARG  20   0.398   5.795   9.578
  142   2HH2  ARG  20          2HH2      ARG  20   1.757   6.006  10.630
  143    H    TYR  21           H        TYR  21   2.056   3.343   3.025
  144    HA   TYR  21           HA       TYR  21   1.753   3.245   0.099
  145   1HB   TYR  21          2HB       TYR  21   2.843   1.153   1.961
  146   2HB   TYR  21          1HB       TYR  21   2.145   0.710   0.408
  147    HD1  TYR  21           1HD      TYR  21   4.815   2.762   1.980
  148    HD2  TYR  21           2HD      TYR  21   3.410   0.866  -1.558
  149    HE1  TYR  21           1HE      TYR  21   6.976   3.199   0.894
  150    HE2  TYR  21           2HE      TYR  21   5.567   1.297  -2.652
  151    HH   TYR  21           HH       TYR  21   7.819   1.797  -2.156
  152    H    PHE  22           H        PHE  22   0.079   1.906  -0.714
  153    HA   PHE  22           HA       PHE  22  -1.930   0.917   1.174
  154   1HB   PHE  22          2HB       PHE  22  -3.734   2.044  -0.167
  155   2HB   PHE  22          1HB       PHE  22  -2.766   3.112   0.832
  156    HD1  PHE  22           1HD      PHE  22  -1.004   4.514  -0.230
  157    HD2  PHE  22           2HD      PHE  22  -3.795   2.260  -2.510
  158    HE1  PHE  22           1HE      PHE  22  -0.459   5.849  -2.217
  159    HE2  PHE  22           2HE      PHE  22  -3.254   3.595  -4.503
  160    HZ   PHE  22           HZ       PHE  22  -1.578   5.394  -4.358
  161    H    TYR  23           H        TYR  23  -3.398  -0.572   0.228
  162    HA   TYR  23           HA       TYR  23  -2.221  -1.975  -2.033
  163   1HB   TYR  23          2HB       TYR  23  -3.003  -3.256  -0.092
  164   2HB   TYR  23          1HB       TYR  23  -4.656  -2.704  -0.387
  165    HD1  TYR  23           1HD      TYR  23  -1.845  -4.427  -2.150
  166    HD2  TYR  23           2HD      TYR  23  -6.050  -4.070  -1.640
  167    HE1  TYR  23           1HE      TYR  23  -2.189  -6.312  -3.689
  168    HE2  TYR  23           2HE      TYR  23  -6.406  -5.955  -3.173
  169    HH   TYR  23           HH       TYR  23  -3.860  -7.983  -4.212
  170    H    ASN  24           H        ASN  24  -3.075  -2.237  -4.015
  171    HA   ASN  24           HA       ASN  24  -5.471  -0.647  -4.677
  172   1HB   ASN  24          2HB       ASN  24  -3.439   0.215  -5.738
  173   2HB   ASN  24          1HB       ASN  24  -3.097  -1.377  -6.415
  174   1HD2  ASN  24          1HD2      ASN  24  -3.442   1.133  -7.771
  175   2HD2  ASN  24          2HD2      ASN  24  -4.760   0.912  -8.876
  176    H    ALA  25           H        ALA  25  -6.930  -2.350  -4.265
  177    HA   ALA  25           HA       ALA  25  -6.750  -4.971  -5.135
  178   1HB   ALA  25          1HB       ALA  25  -9.389  -3.571  -5.176
  179   2HB   ALA  25          2HB       ALA  25  -8.523  -3.774  -3.653
  180   3HB   ALA  25          3HB       ALA  25  -8.985  -5.188  -4.600
  181    H    LYS  26           H        LYS  26  -7.417  -2.101  -6.956
  182    HA   LYS  26           HA       LYS  26  -8.545  -3.467  -9.224
  183   1HB   LYS  26          2HB       LYS  26  -8.052  -0.705  -8.414
  184   2HB   LYS  26          1HB       LYS  26  -7.731  -0.981 -10.121
  185   1HG   LYS  26          2HG       LYS  26 -10.012  -2.034 -10.266
  186   2HG   LYS  26          1HG       LYS  26 -10.302  -1.433  -8.632
  187   1HD   LYS  26          2HD       LYS  26 -11.095   0.380  -9.708
  188   2HD   LYS  26          1HD       LYS  26  -9.389   0.811  -9.840
  189   1HE   LYS  26          2HE       LYS  26 -10.259   1.056 -12.010
  190   2HE   LYS  26          1HE       LYS  26  -9.389  -0.477 -12.029
  191   1HZ   LYS  26          1HZ       LYS  26 -11.349  -1.681 -12.055
  192   2HZ   LYS  26          2HZ       LYS  26 -11.719  -0.371 -13.058
  193   3HZ   LYS  26          3HZ       LYS  26 -12.282  -0.401 -11.463
  194    H    ALA  27           H        ALA  27  -5.429  -3.281  -8.046
  195    HA   ALA  27           HA       ALA  27  -4.360  -3.944 -10.696
  196   1HB   ALA  27          1HB       ALA  27  -3.038  -2.173 -10.849
  197   2HB   ALA  27          2HB       ALA  27  -2.386  -2.453  -9.234
  198   3HB   ALA  27          3HB       ALA  27  -3.856  -1.501  -9.438
  199    H    GLY  28           H        GLY  28  -4.758  -4.946  -7.602
  200   1HA   GLY  28          2HA       GLY  28  -3.915  -6.711  -6.443
  201   2HA   GLY  28          1HA       GLY  28  -2.994  -7.083  -7.876
  202    H    LEU  29           H        LEU  29  -1.994  -4.078  -7.266
  203    HA   LEU  29           HA       LEU  29   0.083  -4.971  -5.379
  204   1HB   LEU  29          2HB       LEU  29   0.306  -3.856  -8.054
  205   2HB   LEU  29          1HB       LEU  29   1.218  -2.925  -6.882
  206    HG   LEU  29           HG       LEU  29   2.269  -5.135  -6.161
  207   1HD1  LEU  29          1HD1      LEU  29   2.282  -6.878  -7.927
  208   2HD1  LEU  29          2HD1      LEU  29   0.997  -5.996  -8.752
  209   3HD1  LEU  29          3HD1      LEU  29   0.713  -6.672  -7.148
  210   1HD2  LEU  29          1HD2      LEU  29   3.969  -4.969  -7.802
  211   2HD2  LEU  29          2HD2      LEU  29   3.318  -3.344  -7.592
  212   3HD2  LEU  29          3HD2      LEU  29   2.852  -4.306  -8.994
  213    H    CYS  30           H        CYS  30   1.341  -2.960  -4.511
  214    HA   CYS  30           HA       CYS  30  -0.689  -1.085  -3.529
  215   1HB   CYS  30          2HB       CYS  30   2.027  -1.226  -2.311
  216   2HB   CYS  30          1HB       CYS  30   0.482  -0.859  -1.565
  217    H    GLN  31           H        GLN  31   0.176   1.117  -2.987
  218    HA   GLN  31           HA       GLN  31   2.268   2.062  -4.758
  219   1HB   GLN  31          2HB       GLN  31  -0.621   2.780  -5.069
  220   2HB   GLN  31          1HB       GLN  31   0.621   3.950  -5.484
  221   1HG   GLN  31          2HG       GLN  31   1.569   2.406  -7.094
  222   2HG   GLN  31          1HG       GLN  31   0.381   1.184  -6.644
  223   1HE2  GLN  31          1HE2      GLN  31  -1.952   2.289  -6.634
  224   2HE2  GLN  31          2HE2      GLN  31  -2.343   3.067  -8.126
  225    H    THR  32           H        THR  32   2.940   4.242  -4.342
  226    HA   THR  32           HA       THR  32   2.764   4.951  -1.547
  227    HB   THR  32           HB       THR  32   4.876   5.111  -2.960
  228    HG1  THR  32           1HG      THR  32   4.086   7.521  -1.702
  229   1HG2  THR  32          1HG2      THR  32   5.249   6.804  -4.458
  230   2HG2  THR  32          2HG2      THR  32   3.913   7.783  -3.850
  231   3HG2  THR  32          3HG2      THR  32   3.584   6.359  -4.837
  232    H    PHE  33           H        PHE  33   1.935   6.890  -0.718
  233    HA   PHE  33           HA       PHE  33  -0.452   7.779  -1.941
  234   1HB   PHE  33          2HB       PHE  33   1.137   8.680   0.441
  235   2HB   PHE  33          1HB       PHE  33  -0.252   9.615  -0.109
  236    HD1  PHE  33           1HD      PHE  33   0.848   6.789   1.749
  237    HD2  PHE  33           2HD      PHE  33  -2.481   8.408  -0.335
  238    HE1  PHE  33           1HE      PHE  33  -0.642   5.226   2.927
  239    HE2  PHE  33           2HE      PHE  33  -3.980   6.851   0.838
  240    HZ   PHE  33           HZ       PHE  33  -3.059   5.255   2.471
  241    H    ALA  34           H        ALA  34  -0.656   9.087  -3.605
  242    HA   ALA  34           HA       ALA  34   1.484  10.701  -4.588
  243   1HB   ALA  34          1HB       ALA  34   0.186   9.909  -6.310
  244   2HB   ALA  34          2HB       ALA  34  -0.487  11.527  -6.119
  245   3HB   ALA  34          3HB       ALA  34  -1.321  10.139  -5.424
  246    H    TYR  35           H        TYR  35   0.438  13.025  -5.443
  247    HA   TYR  35           HA       TYR  35   0.774  14.815  -3.432
  248   1HB   TYR  35          2HB       TYR  35   0.170  15.011  -6.080
  249   2HB   TYR  35          1HB       TYR  35  -1.292  15.664  -5.348
  250    HD1  TYR  35           1HD      TYR  35  -0.737  17.342  -3.300
  251    HD2  TYR  35           2HD      TYR  35   1.815  16.531  -6.606
  252    HE1  TYR  35           1HE      TYR  35   0.417  19.481  -2.927
  253    HE2  TYR  35           2HE      TYR  35   2.974  18.671  -6.243
  254    HH   TYR  35           HH       TYR  35   2.426  20.905  -5.173
  255    H    GLY  36           H        GLY  36  -0.374  15.663  -1.794
  256   1HA   GLY  36          2HA       GLY  36  -1.912  15.650  -0.106
  257   2HA   GLY  36          1HA       GLY  36  -2.926  16.187  -1.425
  258    H    ALA  37           H        ALA  37  -1.666  12.929  -1.408
  259    HA   ALA  37           HA       ALA  37  -4.284  11.815  -1.508
  260   1HB   ALA  37          1HB       ALA  37  -1.874  10.172  -0.870
  261   2HB   ALA  37          2HB       ALA  37  -2.041  10.904  -2.465
  262   3HB   ALA  37          3HB       ALA  37  -3.264   9.777  -1.880
  263    H    CYS  38           H        CYS  38  -4.921   9.979   0.041
  264    HA   CYS  38           HA       CYS  38  -3.949  10.270   2.749
  265   1HB   CYS  38          2HB       CYS  38  -6.646  11.279   1.907
  266   2HB   CYS  38          1HB       CYS  38  -6.397  10.642   3.532
  267    H    ALA  39           H        ALA  39  -4.479   8.592   4.092
  268    HA   ALA  39           HA       ALA  39  -5.179   6.126   2.852
  269   1HB   ALA  39          1HB       ALA  39  -5.042   5.221   5.177
  270   2HB   ALA  39          2HB       ALA  39  -4.765   6.867   5.746
  271   3HB   ALA  39          3HB       ALA  39  -3.606   6.104   4.658
  272    H    ALA  40           H        ALA  40  -6.854   4.671   4.091
  273    HA   ALA  40           HA       ALA  40  -9.307   6.247   4.497
  274   1HB   ALA  40          1HB       ALA  40  -8.793   3.983   2.682
  275   2HB   ALA  40          2HB       ALA  40  -9.937   5.317   2.540
  276   3HB   ALA  40          3HB       ALA  40 -10.319   3.934   3.567
  277    H    LYS  41           H        LYS  41  -7.504   5.349   6.479
  278    HA   LYS  41           HA       LYS  41  -7.859   4.749   8.675
  279   1HB   LYS  41          2HB       LYS  41 -10.359   4.615   7.981
  280   2HB   LYS  41          1HB       LYS  41 -10.075   2.882   7.924
  281   1HG   LYS  41          2HG       LYS  41 -10.928   3.291  10.062
  282   2HG   LYS  41          1HG       LYS  41  -9.190   3.096  10.292
  283   1HD   LYS  41          2HD       LYS  41  -9.954   5.855   9.759
  284   2HD   LYS  41          1HD       LYS  41 -10.729   5.199  11.202
  285   1HE   LYS  41          2HE       LYS  41  -8.520   4.491  12.033
  286   2HE   LYS  41          1HE       LYS  41  -7.771   5.220  10.614
  287   1HZ   LYS  41          1HZ       LYS  41  -9.504   6.843  12.356
  288   2HZ   LYS  41          2HZ       LYS  41  -8.239   7.338  11.348
  289   3HZ   LYS  41          3HZ       LYS  41  -7.899   6.549  12.805
  290    H    ARG  42           H        ARG  42  -8.807   1.905   6.743
  291    HA   ARG  42           HA       ARG  42  -6.883   0.297   8.179
  292   1HB   ARG  42          2HB       ARG  42  -8.994  -0.356   6.135
  293   2HB   ARG  42          1HB       ARG  42  -7.853  -1.554   6.725
  294   1HG   ARG  42          2HG       ARG  42  -9.617  -1.941   8.114
  295   2HG   ARG  42          1HG       ARG  42  -8.716  -0.765   9.073
  296   1HD   ARG  42          2HD       ARG  42 -10.260   0.873   8.766
  297   2HD   ARG  42          1HD       ARG  42 -10.700   0.307   7.159
  298    HE   ARG  42           HE       ARG  42 -11.654  -0.876   9.684
  299   1HH1  ARG  42          1HH1      ARG  42 -12.069  -0.250   6.263
  300   2HH1  ARG  42          2HH1      ARG  42 -13.653  -0.943   6.211
  301   1HH2  ARG  42          1HH2      ARG  42 -13.734  -1.785   9.598
  302   2HH2  ARG  42          2HH2      ARG  42 -14.596  -1.812   8.096
  303    H    ASN  43           H        ASN  43  -7.416   1.411   4.858
  304    HA   ASN  43           HA       ASN  43  -5.252  -0.060   3.755
  305   1HB   ASN  43          2HB       ASN  43  -7.438   1.389   2.815
  306   2HB   ASN  43          1HB       ASN  43  -6.050   2.330   2.280
  307   1HD2  ASN  43          1HD2      ASN  43  -7.504  -0.790   2.338
  308   2HD2  ASN  43          2HD2      ASN  43  -6.802  -1.396   0.865
  309    H    ASN  44           H        ASN  44  -3.700   0.678   5.483
  310    HA   ASN  44           HA       ASN  44  -2.083   2.834   4.427
  311   1HB   ASN  44          2HB       ASN  44  -3.535   4.124   5.843
  312   2HB   ASN  44          1HB       ASN  44  -3.338   2.986   7.169
  313   1HD2  ASN  44          1HD2      ASN  44  -1.777   3.316   8.598
  314   2HD2  ASN  44          2HD2      ASN  44  -0.541   4.512   8.466
  315    H    PHE  45           H        PHE  45  -0.427   1.316   4.119
  316    HA   PHE  45           HA       PHE  45   0.610   0.011   6.540
  317   1HB   PHE  45          2HB       PHE  45   1.131  -0.554   3.610
  318   2HB   PHE  45          1HB       PHE  45   1.888  -1.405   4.953
  319    HD1  PHE  45           1HD      PHE  45   0.527  -2.838   6.438
  320    HD2  PHE  45           2HD      PHE  45  -1.084  -1.056   2.926
  321    HE1  PHE  45           1HE      PHE  45  -1.371  -4.402   6.520
  322    HE2  PHE  45           2HE      PHE  45  -2.983  -2.617   2.999
  323    HZ   PHE  45           HZ       PHE  45  -3.130  -4.295   4.798
  324    H    LYS  46           H        LYS  46   2.506   0.670   7.380
  325    HA   LYS  46           HA       LYS  46   3.743   3.037   6.504
  326   1HB   LYS  46          2HB       LYS  46   3.791   2.169   8.840
  327   2HB   LYS  46          1HB       LYS  46   4.921   0.927   8.317
  328   1HG   LYS  46          2HG       LYS  46   6.589   2.551   7.809
  329   2HG   LYS  46          1HG       LYS  46   5.448   3.876   8.048
  330   1HD   LYS  46          2HD       LYS  46   5.229   3.173  10.427
  331   2HD   LYS  46          1HD       LYS  46   6.498   1.980  10.147
  332   1HE   LYS  46          2HE       LYS  46   7.452   4.459   9.178
  333   2HE   LYS  46          1HE       LYS  46   6.742   4.759  10.764
  334   1HZ   LYS  46          1HZ       LYS  46   8.103   2.696  11.446
  335   2HZ   LYS  46          2HZ       LYS  46   8.897   4.178  11.270
  336   3HZ   LYS  46          3HZ       LYS  46   9.002   3.013  10.048
  337    H    SER  47           H        SER  47   4.033  -0.125   5.322
  338    HA   SER  47           HA       SER  47   6.234   0.695   3.624
  339   1HB   SER  47          2HB       SER  47   7.000  -1.893   4.268
  340   2HB   SER  47          1HB       SER  47   7.781  -0.409   4.809
  341    HG   SER  47           HG       SER  47   6.475  -0.469   6.665
  342    H    ALA  48           H        ALA  48   6.330  -0.382   1.680
  343    HA   ALA  48           HA       ALA  48   3.925  -1.486   0.717
  344   1HB   ALA  48          1HB       ALA  48   6.503  -0.815  -0.371
  345   2HB   ALA  48          2HB       ALA  48   4.955  -0.985  -1.202
  346   3HB   ALA  48          3HB       ALA  48   5.993  -2.392  -0.972
  347    H    GLU  49           H        GLU  49   6.826  -2.910   2.069
  348    HA   GLU  49           HA       GLU  49   6.323  -5.589   1.387
  349   1HB   GLU  49          2HB       GLU  49   7.782  -4.320   3.707
  350   2HB   GLU  49          1HB       GLU  49   7.666  -6.065   3.518
  351   1HG   GLU  49          2HG       GLU  49   9.754  -5.400   2.630
  352   2HG   GLU  49          1HG       GLU  49   8.714  -5.808   1.266
  353    H    ASP  50           H        ASP  50   5.257  -3.501   4.000
  354    HA   ASP  50           HA       ASP  50   3.878  -5.466   5.494
  355   1HB   ASP  50          2HB       ASP  50   4.447  -2.767   5.803
  356   2HB   ASP  50          1HB       ASP  50   2.694  -2.809   5.642
  357    H    CYS  51           H        CYS  51   2.766  -3.142   2.985
  358    HA   CYS  51           HA       CYS  51   0.057  -3.914   3.044
  359   1HB   CYS  51          2HB       CYS  51   0.542  -1.907   1.907
  360   2HB   CYS  51          1HB       CYS  51   1.827  -2.650   0.955
  361    H    LEU  52           H        LEU  52   2.679  -4.964   0.873
  362    HA   LEU  52           HA       LEU  52   1.242  -6.823  -0.605
  363   1HB   LEU  52          2HB       LEU  52   4.160  -6.794   0.162
  364   2HB   LEU  52          1HB       LEU  52   3.471  -7.901  -1.012
  365    HG   LEU  52           HG       LEU  52   3.455  -4.893  -1.267
  366   1HD1  LEU  52          1HD1      LEU  52   5.712  -5.729  -1.456
  367   2HD1  LEU  52          2HD1      LEU  52   5.114  -5.274  -3.051
  368   3HD1  LEU  52          3HD1      LEU  52   5.188  -6.974  -2.589
  369   1HD2  LEU  52          1HD2      LEU  52   2.463  -7.125  -3.007
  370   2HD2  LEU  52          2HD2      LEU  52   2.899  -5.554  -3.678
  371   3HD2  LEU  52          3HD2      LEU  52   1.614  -5.674  -2.475
  372    H    ARG  53           H        ARG  53   3.060  -7.302   2.423
  373    HA   ARG  53           HA       ARG  53   2.729 -10.072   2.593
  374   1HB   ARG  53          2HB       ARG  53   4.038  -8.259   4.097
  375   2HB   ARG  53          1HB       ARG  53   2.649  -8.548   5.134
  376   1HG   ARG  53          2HG       ARG  53   4.379 -10.750   4.041
  377   2HG   ARG  53          1HG       ARG  53   4.667  -9.961   5.593
  378   1HD   ARG  53          2HD       ARG  53   3.398 -11.721   6.294
  379   2HD   ARG  53          1HD       ARG  53   2.119 -10.553   5.963
  380    HE   ARG  53           HE       ARG  53   1.424 -11.848   4.197
  381   1HH1  ARG  53          1HH1      ARG  53   4.547 -12.970   5.289
  382   2HH1  ARG  53          2HH1      ARG  53   4.507 -14.405   4.322
  383   1HH2  ARG  53          1HH2      ARG  53   1.375 -13.735   2.925
  384   2HH2  ARG  53          2HH2      ARG  53   2.708 -14.840   2.979
  385    H    THR  54           H        THR  54   0.689  -7.452   3.848
  386    HA   THR  54           HA       THR  54  -1.239  -9.299   4.923
  387    HB   THR  54           HB       THR  54  -1.429  -6.301   4.585
  388    HG1  THR  54           1HG      THR  54  -0.550  -6.165   6.562
  389   1HG2  THR  54          1HG2      THR  54  -3.157  -8.298   5.933
  390   2HG2  THR  54          2HG2      THR  54  -3.583  -6.802   5.102
  391   3HG2  THR  54          3HG2      THR  54  -2.896  -6.743   6.726
  392    H    CYS  55           H        CYS  55  -1.574  -6.703   2.472
  393    HA   CYS  55           HA       CYS  55  -3.971  -7.960   1.492
  394   1HB   CYS  55          2HB       CYS  55  -2.610  -5.534   0.337
  395   2HB   CYS  55          1HB       CYS  55  -4.293  -6.016   0.163
  396    H    GLY  56           H        GLY  56  -0.636  -7.719   0.452
  397   1HA   GLY  56          2HA       GLY  56  -1.052  -8.378  -2.265
  398   2HA   GLY  56          1HA       GLY  56   0.448  -8.607  -1.380
  399    H    GLY  57           H        GLY  57   1.119 -10.648  -1.509
  400   1HA   GLY  57          2HA       GLY  57   1.033 -12.942  -1.092
  401   2HA   GLY  57          1HA       GLY  57  -0.700 -12.808  -0.832
  402    H    ALA  58           H        ALA  58  -1.816 -11.990  -3.023
  403    HA   ALA  58           HA       ALA  58  -1.394 -14.136  -4.879
  404   1HB   ALA  58          1HB       ALA  58  -3.470 -12.220  -4.313
  405   2HB   ALA  58          2HB       ALA  58  -3.572 -13.775  -5.138
  406   3HB   ALA  58          3HB       ALA  58  -3.165 -12.319  -6.047
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  -7.780 -13.315   0.500
    2   2H    ARG   1          2HT       ARG   1  -6.811 -13.334  -0.916
    3   3H    ARG   1          3HT       ARG   1  -8.471 -12.911  -1.016
    4    HA   ARG   1           HA       ARG   1  -6.228 -11.402   0.101
    5   1HB   ARG   1          2HB       ARG   1  -6.947  -9.737  -1.448
    6   2HB   ARG   1          1HB       ARG   1  -6.942 -11.265  -2.317
    7   1HG   ARG   1          2HG       ARG   1  -9.465 -11.325  -1.620
    8   2HG   ARG   1          1HG       ARG   1  -9.240  -9.583  -1.451
    9   1HD   ARG   1          2HD       ARG   1  -9.904  -9.731  -3.645
   10   2HD   ARG   1          1HD       ARG   1  -8.151  -9.794  -3.818
   11    HE   ARG   1           HE       ARG   1  -8.822 -12.397  -3.644
   12   1HH1  ARG   1          1HH1      ARG   1 -10.015  -9.784  -5.625
   13   2HH1  ARG   1          2HH1      ARG   1 -10.438 -10.816  -6.950
   14   1HH2  ARG   1          1HH2      ARG   1  -9.377 -13.755  -5.387
   15   2HH2  ARG   1          2HH2      ARG   1 -10.076 -13.070  -6.815
   16    HA   PRO   2           HA       PRO   2  -8.797 -10.144   3.498
   17   1HB   PRO   2          2HB       PRO   2  -7.303  -7.609   3.483
   18   2HB   PRO   2          1HB       PRO   2  -7.423  -8.840   4.748
   19   1HG   PRO   2          2HG       PRO   2  -5.171  -8.461   3.293
   20   2HG   PRO   2          1HG       PRO   2  -5.653 -10.042   3.936
   21   1HD   PRO   2          2HD       PRO   2  -5.836  -8.998   1.152
   22   2HD   PRO   2          1HD       PRO   2  -5.518 -10.646   1.726
   23    H    ASP   3           H        ASP   3 -10.699  -9.125   3.629
   24    HA   ASP   3           HA       ASP   3 -11.976  -8.003   1.490
   25   1HB   ASP   3          2HB       ASP   3 -12.502  -7.513   4.425
   26   2HB   ASP   3          1HB       ASP   3 -13.621  -7.102   3.129
   27    H    PHE   4           H        PHE   4 -10.663  -6.089   4.223
   28    HA   PHE   4           HA       PHE   4 -11.309  -3.588   3.269
   29   1HB   PHE   4          2HB       PHE   4  -9.188  -2.829   4.530
   30   2HB   PHE   4          1HB       PHE   4 -10.494  -3.588   5.442
   31    HD1  PHE   4           1HD      PHE   4 -10.213  -5.807   6.378
   32    HD2  PHE   4           2HD      PHE   4  -7.081  -3.916   4.207
   33    HE1  PHE   4           1HE      PHE   4  -8.608  -7.438   7.279
   34    HE2  PHE   4           2HE      PHE   4  -5.472  -5.547   5.099
   35    HZ   PHE   4           HZ       PHE   4  -6.233  -7.310   6.637
   36    H    CYS   5           H        CYS   5  -8.857  -5.701   2.070
   37    HA   CYS   5           HA       CYS   5  -7.157  -3.815   0.861
   38   1HB   CYS   5          2HB       CYS   5  -7.776  -6.640   0.008
   39   2HB   CYS   5          1HB       CYS   5  -6.463  -5.656  -0.608
   40    H    LEU   6           H        LEU   6 -10.336  -4.759   0.155
   41    HA   LEU   6           HA       LEU   6 -10.252  -4.067  -2.652
   42   1HB   LEU   6          2HB       LEU   6 -12.699  -4.468  -0.936
   43   2HB   LEU   6          1HB       LEU   6 -12.590  -4.571  -2.683
   44    HG   LEU   6           HG       LEU   6 -11.303  -6.502  -0.746
   45   1HD1  LEU   6          1HD1      LEU   6 -13.471  -7.143  -0.577
   46   2HD1  LEU   6          2HD1      LEU   6 -13.066  -7.985  -2.072
   47   3HD1  LEU   6          3HD1      LEU   6 -13.919  -6.444  -2.133
   48   1HD2  LEU   6          1HD2      LEU   6 -11.659  -7.119  -3.619
   49   2HD2  LEU   6          2HD2      LEU   6 -10.372  -7.586  -2.507
   50   3HD2  LEU   6          3HD2      LEU   6 -10.392  -5.965  -3.202
   51    H    GLU   7           H        GLU   7 -10.560  -2.361   0.279
   52    HA   GLU   7           HA       GLU   7 -12.266  -0.265  -0.625
   53   1HB   GLU   7          2HB       GLU   7 -10.647  -0.823   1.774
   54   2HB   GLU   7          1HB       GLU   7 -10.844   0.880   1.395
   55   1HG   GLU   7          2HG       GLU   7 -12.606   0.427   2.825
   56   2HG   GLU   7          1HG       GLU   7 -13.343   0.356   1.225
   57    HA   PRO   8           HA       PRO   8  -9.006   1.786  -2.923
   58   1HB   PRO   8          2HB       PRO   8 -10.559   3.412  -4.358
   59   2HB   PRO   8          1HB       PRO   8 -10.539   1.670  -4.664
   60   1HG   PRO   8          2HG       PRO   8 -12.563   3.318  -3.216
   61   2HG   PRO   8          1HG       PRO   8 -12.804   1.929  -4.289
   62   1HD   PRO   8          2HD       PRO   8 -12.798   1.853  -1.497
   63   2HD   PRO   8          1HD       PRO   8 -12.619   0.453  -2.572
   64    HA   PRO   9           HA       PRO   9  -8.631   5.570  -0.620
   65   1HB   PRO   9          2HB       PRO   9  -6.500   6.640  -1.851
   66   2HB   PRO   9          1HB       PRO   9  -6.372   5.156  -0.901
   67   1HG   PRO   9          2HG       PRO   9  -6.363   5.523  -3.842
   68   2HG   PRO   9          1HG       PRO   9  -5.581   4.278  -2.860
   69   1HD   PRO   9          2HD       PRO   9  -8.019   4.046  -4.286
   70   2HD   PRO   9          1HD       PRO   9  -7.317   2.873  -3.149
   71    H    TYR  10           H        TYR  10  -8.139   8.028  -1.151
   72    HA   TYR  10           HA       TYR  10  -9.347   8.941  -3.617
   73   1HB   TYR  10          2HB       TYR  10 -11.194  10.080  -2.661
   74   2HB   TYR  10          1HB       TYR  10 -11.227   8.458  -1.981
   75    HD1  TYR  10           1HD      TYR  10 -10.744  12.005  -1.271
   76    HD2  TYR  10           2HD      TYR  10 -10.676   8.082   0.374
   77    HE1  TYR  10           1HE      TYR  10 -10.789  12.960   0.995
   78    HE2  TYR  10           2HE      TYR  10 -10.721   9.027   2.645
   79    HH   TYR  10           HH       TYR  10  -9.958  11.378   3.676
   80    H    ALA  11           H        ALA  11  -9.030  11.171  -4.023
   81    HA   ALA  11           HA       ALA  11  -7.119  12.487  -2.205
   82   1HB   ALA  11          1HB       ALA  11  -6.393  13.520  -4.581
   83   2HB   ALA  11          2HB       ALA  11  -6.901  11.909  -5.087
   84   3HB   ALA  11          3HB       ALA  11  -5.643  12.093  -3.864
   85    H    GLY  12           H        GLY  12  -7.760  14.400  -1.504
   86   1HA   GLY  12          2HA       GLY  12  -8.908  16.408  -3.100
   87   2HA   GLY  12          1HA       GLY  12 -10.194  15.591  -2.220
   88    H    ALA  13           H        ALA  13  -7.360  17.591  -1.978
   89    HA   ALA  13           HA       ALA  13  -6.563  18.965  -0.348
   90   1HB   ALA  13          1HB       ALA  13  -8.102  20.352   0.577
   91   2HB   ALA  13          2HB       ALA  13  -9.153  19.030   1.087
   92   3HB   ALA  13          3HB       ALA  13  -9.149  19.557  -0.598
   93    H    CYS  14           H        CYS  14  -5.145  17.625   0.701
   94    HA   CYS  14           HA       CYS  14  -5.798  16.925   3.403
   95   1HB   CYS  14          2HB       CYS  14  -5.539  14.799   1.317
   96   2HB   CYS  14          1HB       CYS  14  -4.917  14.493   2.933
   97    H    ARG  15           H        ARG  15  -3.841  15.773   4.440
   98    HA   ARG  15           HA       ARG  15  -1.307  16.243   3.139
   99   1HB   ARG  15          2HB       ARG  15  -0.524  17.689   5.094
  100   2HB   ARG  15          1HB       ARG  15  -1.555  18.456   3.894
  101   1HG   ARG  15          2HG       ARG  15  -3.149  18.891   5.388
  102   2HG   ARG  15          1HG       ARG  15  -3.063  17.271   6.081
  103   1HD   ARG  15          2HD       ARG  15  -0.703  18.771   6.752
  104   2HD   ARG  15          1HD       ARG  15  -2.147  19.674   7.207
  105    HE   ARG  15           HE       ARG  15  -1.111  17.404   8.518
  106   1HH1  ARG  15          1HH1      ARG  15  -4.148  18.807   7.523
  107   2HH1  ARG  15          2HH1      ARG  15  -5.056  18.050   8.788
  108   1HH2  ARG  15          1HH2      ARG  15  -2.304  16.407  10.183
  109   2HH2  ARG  15          2HH2      ARG  15  -4.010  16.688  10.299
  110    H    ALA  16           H        ALA  16   0.534  15.756   4.729
  111    HA   ALA  16           HA       ALA  16   1.533  14.449   6.322
  112   1HB   ALA  16          1HB       ALA  16  -0.828  13.121   7.403
  113   2HB   ALA  16          2HB       ALA  16  -0.919  14.880   7.477
  114   3HB   ALA  16          3HB       ALA  16   0.438  14.035   8.224
  115    H    ALA  17           H        ALA  17   2.420  13.175   4.714
  116    HA   ALA  17           HA       ALA  17   1.585  10.485   4.713
  117   1HB   ALA  17          1HB       ALA  17   0.125  11.525   2.953
  118   2HB   ALA  17          2HB       ALA  17   1.106  10.164   2.415
  119   3HB   ALA  17          3HB       ALA  17   1.595  11.812   2.023
  120    H    ALA  18           H        ALA  18   3.787  10.936   5.747
  121    HA   ALA  18           HA       ALA  18   6.018  11.410   4.046
  122   1HB   ALA  18          1HB       ALA  18   7.340  11.154   5.928
  123   2HB   ALA  18          2HB       ALA  18   6.251   9.976   6.660
  124   3HB   ALA  18          3HB       ALA  18   5.804  11.682   6.617
  125    H    ALA  19           H        ALA  19   5.651   9.910   2.323
  126    HA   ALA  19           HA       ALA  19   5.987   7.971   1.176
  127   1HB   ALA  19          1HB       ALA  19   8.191   7.773   1.569
  128   2HB   ALA  19          2HB       ALA  19   7.703   6.411   2.576
  129   3HB   ALA  19          3HB       ALA  19   8.008   7.986   3.310
  130    H    ARG  20           H        ARG  20   3.919   7.102   1.317
  131    HA   ARG  20           HA       ARG  20   3.695   4.799   3.117
  132   1HB   ARG  20          2HB       ARG  20   1.379   6.680   2.618
  133   2HB   ARG  20          1HB       ARG  20   1.403   5.266   3.675
  134   1HG   ARG  20          2HG       ARG  20   3.433   6.735   4.705
  135   2HG   ARG  20          1HG       ARG  20   2.320   7.997   4.166
  136   1HD   ARG  20          2HD       ARG  20   0.983   7.605   5.894
  137   2HD   ARG  20          1HD       ARG  20   0.853   5.903   5.452
  138    HE   ARG  20           HE       ARG  20   2.880   5.527   6.757
  139   1HH1  ARG  20          1HH1      ARG  20   1.087   8.466   7.372
  140   2HH1  ARG  20          2HH1      ARG  20   1.728   8.664   8.966
  141   1HH2  ARG  20          1HH2      ARG  20   3.721   5.800   8.852
  142   2HH2  ARG  20          2HH2      ARG  20   3.221   7.157   9.805
  143    H    TYR  21           H        TYR  21   1.885   3.313   2.400
  144    HA   TYR  21           HA       TYR  21   1.437   3.472  -0.495
  145   1HB   TYR  21          2HB       TYR  21   2.639   1.175   1.031
  146   2HB   TYR  21          1HB       TYR  21   1.850   0.938  -0.523
  147    HD1  TYR  21           1HD      TYR  21   4.471   3.113   1.027
  148    HD2  TYR  21           2HD      TYR  21   3.161   0.983  -2.412
  149    HE1  TYR  21           1HE      TYR  21   6.574   3.675  -0.114
  150    HE2  TYR  21           2HE      TYR  21   5.259   1.540  -3.562
  151    HH   TYR  21           HH       TYR  21   7.498   2.208  -3.088
  152    H    PHE  22           H        PHE  22  -0.186   1.877  -1.256
  153    HA   PHE  22           HA       PHE  22  -2.103   0.942   0.741
  154   1HB   PHE  22          2HB       PHE  22  -3.990   1.900  -0.639
  155   2HB   PHE  22          1HB       PHE  22  -3.073   3.061   0.297
  156    HD1  PHE  22           1HD      PHE  22  -1.360   4.480  -0.877
  157    HD2  PHE  22           2HD      PHE  22  -4.178   2.074  -2.967
  158    HE1  PHE  22           1HE      PHE  22  -0.970   5.797  -2.916
  159    HE2  PHE  22           2HE      PHE  22  -3.791   3.388  -5.011
  160    HZ   PHE  22           HZ       PHE  22  -2.183   5.252  -4.987
  161    H    TYR  23           H        TYR  23  -3.540  -0.664  -0.087
  162    HA   TYR  23           HA       TYR  23  -2.275  -2.177  -2.224
  163   1HB   TYR  23          2HB       TYR  23  -3.023  -3.339  -0.197
  164   2HB   TYR  23          1HB       TYR  23  -4.697  -2.892  -0.555
  165    HD1  TYR  23           1HD      TYR  23  -1.786  -4.788  -1.882
  166    HD2  TYR  23           2HD      TYR  23  -5.998  -4.231  -1.976
  167    HE1  TYR  23           1HE      TYR  23  -2.014  -6.800  -3.275
  168    HE2  TYR  23           2HE      TYR  23  -6.241  -6.246  -3.361
  169    HH   TYR  23           HH       TYR  23  -4.950  -7.624  -4.848
  170    H    ASN  24           H        ASN  24  -3.081  -2.656  -4.178
  171    HA   ASN  24           HA       ASN  24  -5.563  -1.287  -5.000
  172   1HB   ASN  24          2HB       ASN  24  -3.601  -0.296  -6.060
  173   2HB   ASN  24          1HB       ASN  24  -3.063  -1.883  -6.608
  174   1HD2  ASN  24          1HD2      ASN  24  -3.669   0.530  -8.106
  175   2HD2  ASN  24          2HD2      ASN  24  -4.882   0.074  -9.257
  176    H    ALA  25           H        ALA  25  -6.909  -3.066  -4.575
  177    HA   ALA  25           HA       ALA  25  -6.465  -5.717  -5.209
  178   1HB   ALA  25          1HB       ALA  25  -8.574  -6.030  -4.520
  179   2HB   ALA  25          2HB       ALA  25  -9.227  -4.864  -5.669
  180   3HB   ALA  25          3HB       ALA  25  -8.545  -4.308  -4.141
  181    H    LYS  26           H        LYS  26  -7.316  -3.082  -7.314
  182    HA   LYS  26           HA       LYS  26  -8.084  -4.755  -9.524
  183   1HB   LYS  26          2HB       LYS  26  -8.232  -1.990  -8.870
  184   2HB   LYS  26          1HB       LYS  26  -7.370  -2.132 -10.395
  185   1HG   LYS  26          2HG       LYS  26  -9.750  -3.809 -10.258
  186   2HG   LYS  26          1HG       LYS  26 -10.089  -2.087 -10.085
  187   1HD   LYS  26          2HD       LYS  26  -8.275  -3.051 -12.261
  188   2HD   LYS  26          1HD       LYS  26 -10.025  -3.153 -12.457
  189   1HE   LYS  26          2HE       LYS  26  -9.872  -1.058 -13.233
  190   2HE   LYS  26          1HE       LYS  26  -9.703  -0.600 -11.539
  191   1HZ   LYS  26          1HZ       LYS  26  -7.525  -0.152 -11.786
  192   2HZ   LYS  26          2HZ       LYS  26  -7.944   0.057 -13.411
  193   3HZ   LYS  26          3HZ       LYS  26  -7.261  -1.402 -12.896
  194    H    ALA  27           H        ALA  27  -5.129  -4.188  -8.150
  195    HA   ALA  27           HA       ALA  27  -3.772  -4.819 -10.674
  196   1HB   ALA  27          1HB       ALA  27  -3.471  -2.448 -10.417
  197   2HB   ALA  27          2HB       ALA  27  -1.937  -3.264 -10.112
  198   3HB   ALA  27          3HB       ALA  27  -2.901  -2.662  -8.763
  199    H    GLY  28           H        GLY  28  -4.296  -5.675  -7.508
  200   1HA   GLY  28          2HA       GLY  28  -3.388  -7.292  -6.193
  201   2HA   GLY  28          1HA       GLY  28  -2.402  -7.713  -7.569
  202    H    LEU  29           H        LEU  29  -1.666  -4.589  -7.108
  203    HA   LEU  29           HA       LEU  29   0.420  -5.193  -5.124
  204   1HB   LEU  29          2HB       LEU  29   0.684  -4.353  -7.881
  205   2HB   LEU  29          1HB       LEU  29   1.461  -3.215  -6.797
  206    HG   LEU  29           HG       LEU  29   2.312  -5.692  -5.871
  207   1HD1  LEU  29          1HD1      LEU  29   1.717  -7.018  -7.651
  208   2HD1  LEU  29          2HD1      LEU  29   3.342  -6.518  -8.122
  209   3HD1  LEU  29          3HD1      LEU  29   1.934  -5.724  -8.829
  210   1HD2  LEU  29          1HD2      LEU  29   3.863  -3.996  -5.843
  211   2HD2  LEU  29          2HD2      LEU  29   3.504  -3.493  -7.495
  212   3HD2  LEU  29          3HD2      LEU  29   4.440  -4.959  -7.202
  213    H    CYS  30           H        CYS  30   1.511  -3.064  -4.362
  214    HA   CYS  30           HA       CYS  30  -0.660  -1.259  -3.596
  215   1HB   CYS  30          2HB       CYS  30   2.040  -1.117  -2.332
  216   2HB   CYS  30          1HB       CYS  30   0.462  -0.783  -1.636
  217    H    GLN  31           H        GLN  31   0.066   1.043  -3.162
  218    HA   GLN  31           HA       GLN  31   2.064   2.035  -5.024
  219   1HB   GLN  31          2HB       GLN  31  -0.421   1.846  -6.004
  220   2HB   GLN  31          1HB       GLN  31  -0.561   3.407  -5.210
  221   1HG   GLN  31          2HG       GLN  31   1.817   3.620  -6.565
  222   2HG   GLN  31          1HG       GLN  31   0.816   2.665  -7.659
  223   1HE2  GLN  31          1HE2      GLN  31   1.806   5.394  -7.930
  224   2HE2  GLN  31          2HE2      GLN  31   0.411   6.391  -8.141
  225    H    THR  32           H        THR  32   2.728   4.195  -4.623
  226    HA   THR  32           HA       THR  32   2.521   4.996  -1.878
  227    HB   THR  32           HB       THR  32   4.525   5.261  -3.519
  228    HG1  THR  32           1HG      THR  32   4.366   6.095  -1.336
  229   1HG2  THR  32          1HG2      THR  32   3.348   6.571  -5.227
  230   2HG2  THR  32          2HG2      THR  32   4.741   7.421  -4.559
  231   3HG2  THR  32          3HG2      THR  32   3.110   7.863  -4.049
  232    H    PHE  33           H        PHE  33   1.633   6.854  -1.012
  233    HA   PHE  33           HA       PHE  33  -0.796   7.752  -2.250
  234   1HB   PHE  33          2HB       PHE  33   0.616   8.273   0.336
  235   2HB   PHE  33          1HB       PHE  33  -0.606   9.425  -0.193
  236    HD1  PHE  33           1HD      PHE  33   0.022   6.034   0.982
  237    HD2  PHE  33           2HD      PHE  33  -2.942   8.794  -0.318
  238    HE1  PHE  33           1HE      PHE  33  -1.733   4.560   1.869
  239    HE2  PHE  33           2HE      PHE  33  -4.704   7.326   0.570
  240    HZ   PHE  33           HZ       PHE  33  -4.100   5.205   1.666
  241    H    ALA  34           H        ALA  34  -1.118   9.558  -3.450
  242    HA   ALA  34           HA       ALA  34   1.123  11.104  -4.322
  243   1HB   ALA  34          1HB       ALA  34  -0.542  10.791  -5.944
  244   2HB   ALA  34          2HB       ALA  34  -0.714  12.477  -5.459
  245   3HB   ALA  34          3HB       ALA  34  -1.832  11.262  -4.838
  246    H    TYR  35           H        TYR  35   1.300  13.453  -4.122
  247    HA   TYR  35           HA       TYR  35   1.050  14.317  -1.433
  248   1HB   TYR  35          2HB       TYR  35   2.631  15.084  -3.451
  249   2HB   TYR  35          1HB       TYR  35   1.407  16.341  -3.584
  250    HD1  TYR  35           1HD      TYR  35   4.275  15.160  -1.765
  251    HD2  TYR  35           2HD      TYR  35   0.939  17.793  -1.572
  252    HE1  TYR  35           1HE      TYR  35   5.358  16.388   0.070
  253    HE2  TYR  35           2HE      TYR  35   2.014  19.029   0.262
  254    HH   TYR  35           HH       TYR  35   5.296  18.550   1.128
  255    H    GLY  36           H        GLY  36  -1.358  13.718  -1.546
  256   1HA   GLY  36          2HA       GLY  36  -2.926  15.902  -1.079
  257   2HA   GLY  36          1HA       GLY  36  -3.138  15.461  -2.756
  258    H    ALA  37           H        ALA  37  -2.715  12.607  -2.223
  259    HA   ALA  37           HA       ALA  37  -5.397  11.847  -1.878
  260   1HB   ALA  37          1HB       ALA  37  -2.880  10.198  -1.749
  261   2HB   ALA  37          2HB       ALA  37  -3.898  10.479  -3.161
  262   3HB   ALA  37          3HB       ALA  37  -4.514   9.533  -1.805
  263    H    CYS  38           H        CYS  38  -6.585  11.372  -0.161
  264    HA   CYS  38           HA       CYS  38  -5.456  11.703   2.480
  265   1HB   CYS  38          2HB       CYS  38  -8.299  10.959   1.792
  266   2HB   CYS  38          1HB       CYS  38  -7.710  11.720   3.266
  267    H    ALA  39           H        ALA  39  -5.532  10.159   4.149
  268    HA   ALA  39           HA       ALA  39  -4.950   7.500   3.339
  269   1HB   ALA  39          1HB       ALA  39  -5.204   7.212   5.976
  270   2HB   ALA  39          2HB       ALA  39  -5.066   8.969   5.903
  271   3HB   ALA  39          3HB       ALA  39  -3.789   7.954   5.230
  272    H    ALA  40           H        ALA  40  -5.997   5.569   4.287
  273    HA   ALA  40           HA       ALA  40  -8.928   5.869   4.250
  274   1HB   ALA  40          1HB       ALA  40  -8.001   4.610   2.346
  275   2HB   ALA  40          2HB       ALA  40  -9.061   3.626   3.354
  276   3HB   ALA  40          3HB       ALA  40  -7.311   3.445   3.475
  277    H    LYS  41           H        LYS  41 -10.081   4.057   5.434
  278    HA   LYS  41           HA       LYS  41  -9.349   4.126   8.149
  279   1HB   LYS  41          2HB       LYS  41 -11.619   3.434   6.716
  280   2HB   LYS  41          1HB       LYS  41 -11.138   1.923   7.477
  281   1HG   LYS  41          2HG       LYS  41 -11.107   3.064   9.659
  282   2HG   LYS  41          1HG       LYS  41 -11.671   4.539   8.870
  283   1HD   LYS  41          2HD       LYS  41 -13.638   3.169   8.039
  284   2HD   LYS  41          1HD       LYS  41 -13.115   1.915   9.164
  285   1HE   LYS  41          2HE       LYS  41 -14.848   3.292  10.166
  286   2HE   LYS  41          1HE       LYS  41 -13.319   3.504  11.018
  287   1HZ   LYS  41          1HZ       LYS  41 -13.746   5.376   8.864
  288   2HZ   LYS  41          2HZ       LYS  41 -13.218   5.650  10.448
  289   3HZ   LYS  41          3HZ       LYS  41 -14.871   5.510  10.121
  290    H    ARG  42           H        ARG  42  -9.817   1.090   6.343
  291    HA   ARG  42           HA       ARG  42  -7.882  -0.209   8.048
  292   1HB   ARG  42          2HB       ARG  42  -9.580  -1.313   5.807
  293   2HB   ARG  42          1HB       ARG  42  -8.572  -2.270   6.883
  294   1HG   ARG  42          2HG       ARG  42 -10.730  -0.490   7.953
  295   2HG   ARG  42          1HG       ARG  42 -11.076  -2.123   7.382
  296   1HD   ARG  42          2HD       ARG  42  -9.960  -3.112   9.105
  297   2HD   ARG  42          1HD       ARG  42  -8.811  -1.784   9.264
  298    HE   ARG  42           HE       ARG  42 -10.163  -0.903  10.866
  299   1HH1  ARG  42          1HH1      ARG  42 -12.095  -3.000   8.854
  300   2HH1  ARG  42          2HH1      ARG  42 -13.525  -2.810   9.813
  301   1HH2  ARG  42          1HH2      ARG  42 -12.041  -0.653  12.129
  302   2HH2  ARG  42          2HH2      ARG  42 -13.494  -1.478  11.672
  303    H    ASN  43           H        ASN  43  -8.123   0.871   4.721
  304    HA   ASN  43           HA       ASN  43  -5.842  -0.535   3.770
  305   1HB   ASN  43          2HB       ASN  43  -7.913   0.976   2.675
  306   2HB   ASN  43          1HB       ASN  43  -6.463   1.926   2.359
  307   1HD2  ASN  43          1HD2      ASN  43  -7.952  -1.162   2.055
  308   2HD2  ASN  43          2HD2      ASN  43  -7.074  -1.701   0.652
  309    H    ASN  44           H        ASN  44  -4.204   1.033   2.593
  310    HA   ASN  44           HA       ASN  44  -2.481   2.528   2.742
  311   1HB   ASN  44          2HB       ASN  44  -4.184   4.156   3.489
  312   2HB   ASN  44          1HB       ASN  44  -3.895   3.666   5.154
  313   1HD2  ASN  44          1HD2      ASN  44  -3.573   6.277   4.058
  314   2HD2  ASN  44          2HD2      ASN  44  -1.910   6.707   4.237
  315    H    PHE  45           H        PHE  45  -0.602   1.646   3.294
  316    HA   PHE  45           HA       PHE  45  -0.204   0.776   6.081
  317   1HB   PHE  45          2HB       PHE  45   0.811  -0.410   3.492
  318   2HB   PHE  45          1HB       PHE  45   1.497  -0.812   5.064
  319    HD1  PHE  45           1HD      PHE  45   0.468  -2.398   6.466
  320    HD2  PHE  45           2HD      PHE  45  -1.610  -0.908   3.062
  321    HE1  PHE  45           1HE      PHE  45  -1.273  -4.109   6.785
  322    HE2  PHE  45           2HE      PHE  45  -3.354  -2.617   3.374
  323    HZ   PHE  45           HZ       PHE  45  -3.188  -4.219   5.238
  324    H    LYS  46           H        LYS  46   1.761   1.338   7.057
  325    HA   LYS  46           HA       LYS  46   2.937   3.738   6.188
  326   1HB   LYS  46          2HB       LYS  46   4.447   3.520   8.042
  327   2HB   LYS  46          1HB       LYS  46   2.859   2.970   8.552
  328   1HG   LYS  46          2HG       LYS  46   3.555   0.662   8.335
  329   2HG   LYS  46          1HG       LYS  46   5.129   1.174   7.724
  330   1HD   LYS  46          2HD       LYS  46   4.793   2.559  10.128
  331   2HD   LYS  46          1HD       LYS  46   4.202   0.928  10.451
  332   1HE   LYS  46          2HE       LYS  46   6.261   0.065  10.401
  333   2HE   LYS  46          1HE       LYS  46   6.681   0.938   8.928
  334   1HZ   LYS  46          1HZ       LYS  46   7.386   2.782  10.136
  335   2HZ   LYS  46          2HZ       LYS  46   7.977   1.476  11.034
  336   3HZ   LYS  46          3HZ       LYS  46   6.592   2.299  11.550
  337    H    SER  47           H        SER  47   3.531   0.531   5.222
  338    HA   SER  47           HA       SER  47   5.710   1.421   3.544
  339   1HB   SER  47          2HB       SER  47   6.730  -1.001   4.452
  340   2HB   SER  47          1HB       SER  47   7.334   0.603   4.852
  341    HG   SER  47           HG       SER  47   5.199  -0.477   6.323
  342    H    ALA  48           H        ALA  48   6.022   0.176   1.717
  343    HA   ALA  48           HA       ALA  48   3.787  -1.194   0.734
  344   1HB   ALA  48          1HB       ALA  48   4.908  -0.851  -1.162
  345   2HB   ALA  48          2HB       ALA  48   6.046  -2.114  -0.700
  346   3HB   ALA  48          3HB       ALA  48   6.363  -0.437  -0.255
  347    H    GLU  49           H        GLU  49   6.755  -2.351   2.244
  348    HA   GLU  49           HA       GLU  49   6.348  -5.093   1.818
  349   1HB   GLU  49          2HB       GLU  49   8.251  -3.555   3.122
  350   2HB   GLU  49          1HB       GLU  49   7.489  -4.437   4.438
  351   1HG   GLU  49          2HG       GLU  49   7.857  -6.509   2.928
  352   2HG   GLU  49          1HG       GLU  49   9.030  -5.481   2.107
  353    H    ASP  50           H        ASP  50   5.196  -2.833   4.256
  354    HA   ASP  50           HA       ASP  50   3.872  -4.737   5.886
  355   1HB   ASP  50          2HB       ASP  50   4.313  -1.972   5.946
  356   2HB   ASP  50          1HB       ASP  50   2.564  -2.156   5.896
  357    H    CYS  51           H        CYS  51   2.801  -2.727   3.140
  358    HA   CYS  51           HA       CYS  51   0.076  -3.462   3.230
  359   1HB   CYS  51          2HB       CYS  51   0.624  -1.584   1.897
  360   2HB   CYS  51          1HB       CYS  51   1.913  -2.446   1.056
  361    H    LEU  52           H        LEU  52   2.677  -4.655   1.112
  362    HA   LEU  52           HA       LEU  52   1.314  -6.713  -0.125
  363   1HB   LEU  52          2HB       LEU  52   4.224  -6.415   0.592
  364   2HB   LEU  52          1HB       LEU  52   3.622  -7.754  -0.366
  365    HG   LEU  52           HG       LEU  52   3.561  -4.829  -1.095
  366   1HD1  LEU  52          1HD1      LEU  52   5.152  -5.327  -2.710
  367   2HD1  LEU  52          2HD1      LEU  52   4.817  -7.058  -2.648
  368   3HD1  LEU  52          3HD1      LEU  52   5.680  -6.278  -1.321
  369   1HD2  LEU  52          1HD2      LEU  52   2.315  -7.204  -2.466
  370   2HD2  LEU  52          2HD2      LEU  52   2.601  -5.654  -3.256
  371   3HD2  LEU  52          3HD2      LEU  52   1.507  -5.751  -1.876
  372    H    ARG  53           H        ARG  53   3.170  -6.835   2.922
  373    HA   ARG  53           HA       ARG  53   2.952  -9.590   3.346
  374   1HB   ARG  53          2HB       ARG  53   4.192  -7.594   4.672
  375   2HB   ARG  53          1HB       ARG  53   2.827  -7.858   5.747
  376   1HG   ARG  53          2HG       ARG  53   4.614 -10.084   4.814
  377   2HG   ARG  53          1HG       ARG  53   4.946  -9.130   6.260
  378   1HD   ARG  53          2HD       ARG  53   2.207 -10.080   6.193
  379   2HD   ARG  53          1HD       ARG  53   3.365 -11.404   6.091
  380    HE   ARG  53           HE       ARG  53   4.146 -10.874   8.223
  381   1HH1  ARG  53          1HH1      ARG  53   1.677  -8.620   7.198
  382   2HH1  ARG  53          2HH1      ARG  53   1.414  -8.000   8.792
  383   1HH2  ARG  53          1HH2      ARG  53   3.799 -10.051  10.312
  384   2HH2  ARG  53          2HH2      ARG  53   2.617  -8.808  10.558
  385    H    THR  54           H        THR  54   0.868  -6.964   4.552
  386    HA   THR  54           HA       THR  54  -0.997  -8.802   5.729
  387    HB   THR  54           HB       THR  54  -1.358  -5.849   5.194
  388    HG1  THR  54           1HG      THR  54  -0.284  -7.151   7.474
  389   1HG2  THR  54          1HG2      THR  54  -2.524  -6.629   7.623
  390   2HG2  THR  54          2HG2      THR  54  -3.054  -7.796   6.411
  391   3HG2  THR  54          3HG2      THR  54  -3.331  -6.074   6.157
  392    H    CYS  55           H        CYS  55  -1.390  -6.379   3.135
  393    HA   CYS  55           HA       CYS  55  -3.840  -7.523   2.279
  394   1HB   CYS  55          2HB       CYS  55  -2.233  -5.175   1.614
  395   2HB   CYS  55          1HB       CYS  55  -3.029  -5.882   0.214
  396    H    GLY  56           H        GLY  56  -0.534  -7.625   1.002
  397   1HA   GLY  56          2HA       GLY  56  -1.237  -9.003  -1.387
  398   2HA   GLY  56          1HA       GLY  56   0.379  -8.880  -0.710
  399    H    GLY  57           H        GLY  57   1.146 -10.517   0.649
  400   1HA   GLY  57          2HA       GLY  57   0.225 -13.114   0.121
  401   2HA   GLY  57          1HA       GLY  57   1.357 -12.679   1.393
  402    H    ALA  58           H        ALA  58  -1.984 -13.284   0.599
  403    HA   ALA  58           HA       ALA  58  -2.986 -12.724   3.227
  404   1HB   ALA  58          1HB       ALA  58  -4.821 -12.591   1.965
  405   2HB   ALA  58          2HB       ALA  58  -4.855 -14.354   2.009
  406   3HB   ALA  58          3HB       ALA  58  -4.086 -13.520   0.659
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1  -7.613 -13.414  -0.639
    2   2H    ARG   1          2HT       ARG   1  -7.600 -13.023  -2.311
    3   3H    ARG   1          3HT       ARG   1  -9.012 -12.750  -1.374
    4    HA   ARG   1           HA       ARG   1  -6.454 -11.461  -0.764
    5   1HB   ARG   1          2HB       ARG   1  -7.416  -9.505  -2.033
    6   2HB   ARG   1          1HB       ARG   1  -6.897 -10.857  -3.029
    7   1HG   ARG   1          2HG       ARG   1  -8.932 -11.137  -3.870
    8   2HG   ARG   1          1HG       ARG   1  -9.677 -11.101  -2.272
    9   1HD   ARG   1          2HD       ARG   1  -9.683  -8.679  -2.292
   10   2HD   ARG   1          1HD       ARG   1  -8.832  -8.664  -3.837
   11    HE   ARG   1           HE       ARG   1 -11.638  -9.093  -3.407
   12   1HH1  ARG   1          1HH1      ARG   1  -8.959  -9.678  -5.566
   13   2HH1  ARG   1          2HH1      ARG   1  -9.966  -9.880  -6.961
   14   1HH2  ARG   1          1HH2      ARG   1 -12.962  -9.359  -5.240
   15   2HH2  ARG   1          2HH2      ARG   1 -12.237  -9.697  -6.776
   16    HA   PRO   2           HA       PRO   2  -8.764 -10.378   2.878
   17   1HB   PRO   2          2HB       PRO   2  -7.100  -7.930   2.853
   18   2HB   PRO   2          1HB       PRO   2  -7.304  -9.145   4.123
   19   1HG   PRO   2          2HG       PRO   2  -5.060  -8.975   2.617
   20   2HG   PRO   2          1HG       PRO   2  -5.672 -10.505   3.271
   21   1HD   PRO   2          2HD       PRO   2  -5.737  -9.478   0.494
   22   2HD   PRO   2          1HD       PRO   2  -5.697 -11.149   1.083
   23    H    ASP   3           H        ASP   3 -10.657  -9.371   3.081
   24    HA   ASP   3           HA       ASP   3 -11.947  -8.014   1.096
   25   1HB   ASP   3          2HB       ASP   3 -12.364  -8.332   4.000
   26   2HB   ASP   3          1HB       ASP   3 -13.217  -6.981   3.257
   27    H    PHE   4           H        PHE   4 -10.363  -6.415   3.886
   28    HA   PHE   4           HA       PHE   4 -11.026  -3.820   3.238
   29   1HB   PHE   4          2HB       PHE   4  -8.755  -3.218   4.324
   30   2HB   PHE   4          1HB       PHE   4 -10.006  -3.977   5.305
   31    HD1  PHE   4           1HD      PHE   4  -9.814  -6.478   5.728
   32    HD2  PHE   4           2HD      PHE   4  -6.645  -4.129   4.134
   33    HE1  PHE   4           1HE      PHE   4  -8.198  -8.200   6.407
   34    HE2  PHE   4           2HE      PHE   4  -5.026  -5.852   4.809
   35    HZ   PHE   4           HZ       PHE   4  -5.802  -7.889   5.946
   36    H    CYS   5           H        CYS   5  -8.828  -5.882   1.598
   37    HA   CYS   5           HA       CYS   5  -7.117  -4.057   0.359
   38   1HB   CYS   5          2HB       CYS   5  -8.234  -6.637  -0.741
   39   2HB   CYS   5          1HB       CYS   5  -6.866  -5.757  -1.398
   40    H    LEU   6           H        LEU   6 -10.449  -4.645  -0.031
   41    HA   LEU   6           HA       LEU   6 -10.649  -3.556  -2.697
   42   1HB   LEU   6          2HB       LEU   6 -12.884  -4.033  -0.730
   43   2HB   LEU   6          1HB       LEU   6 -13.013  -3.883  -2.472
   44    HG   LEU   6           HG       LEU   6 -11.703  -6.172  -0.988
   45   1HD1  LEU   6          1HD1      LEU   6 -14.227  -6.149  -2.631
   46   2HD1  LEU   6          2HD1      LEU   6 -14.190  -6.055  -0.871
   47   3HD1  LEU   6          3HD1      LEU   6 -13.567  -7.487  -1.690
   48   1HD2  LEU   6          1HD2      LEU   6 -10.835  -5.404  -3.333
   49   2HD2  LEU   6          2HD2      LEU   6 -12.315  -6.171  -3.910
   50   3HD2  LEU   6          3HD2      LEU   6 -11.127  -7.113  -3.008
   51    H    GLU   7           H        GLU   7 -10.533  -2.297   0.486
   52    HA   GLU   7           HA       GLU   7 -12.071   0.066   0.015
   53   1HB   GLU   7          2HB       GLU   7 -11.543  -1.027   2.274
   54   2HB   GLU   7          1HB       GLU   7  -9.972  -0.242   2.148
   55   1HG   GLU   7          2HG       GLU   7 -11.276   1.190   3.454
   56   2HG   GLU   7          1HG       GLU   7 -11.238   1.930   1.855
   57    HA   PRO   8           HA       PRO   8  -8.570   2.106  -1.946
   58   1HB   PRO   8          2HB       PRO   8 -10.092   3.721  -3.532
   59   2HB   PRO   8          1HB       PRO   8  -9.714   2.044  -3.925
   60   1HG   PRO   8          2HG       PRO   8 -12.266   3.208  -3.190
   61   2HG   PRO   8          1HG       PRO   8 -11.919   1.574  -3.778
   62   1HD   PRO   8          2HD       PRO   8 -12.348   2.513  -1.031
   63   2HD   PRO   8          1HD       PRO   8 -12.388   0.859  -1.677
   64    HA   PRO   9           HA       PRO   9  -8.402   5.894   0.371
   65   1HB   PRO   9          2HB       PRO   9  -6.602   7.311  -1.042
   66   2HB   PRO   9          1HB       PRO   9  -6.141   5.850  -0.159
   67   1HG   PRO   9          2HG       PRO   9  -6.771   6.181  -3.073
   68   2HG   PRO   9          1HG       PRO   9  -5.413   5.327  -2.320
   69   1HD   PRO   9          2HD       PRO   9  -7.625   4.046  -3.214
   70   2HD   PRO   9          1HD       PRO   9  -6.686   3.477  -1.812
   71    H    TYR  10           H        TYR  10  -7.998   8.457  -0.510
   72    HA   TYR  10           HA       TYR  10  -9.931   9.071  -2.581
   73   1HB   TYR  10          2HB       TYR  10 -11.332  10.448  -1.186
   74   2HB   TYR  10          1HB       TYR  10 -11.242   8.840  -0.478
   75    HD1  TYR  10           1HD      TYR  10  -9.533   8.505   1.434
   76    HD2  TYR  10           2HD      TYR  10 -10.884  12.322   0.128
   77    HE1  TYR  10           1HE      TYR  10  -8.853   9.475   3.590
   78    HE2  TYR  10           2HE      TYR  10 -10.206  13.306   2.279
   79    HH   TYR  10           HH       TYR  10  -8.466  11.430   4.699
   80    H    ALA  11           H        ALA  11  -9.672  11.088  -3.485
   81    HA   ALA  11           HA       ALA  11  -7.286  12.571  -2.600
   82   1HB   ALA  11          1HB       ALA  11  -8.499  12.217  -5.331
   83   2HB   ALA  11          2HB       ALA  11  -6.908  11.703  -4.771
   84   3HB   ALA  11          3HB       ALA  11  -7.259  13.420  -4.978
   85    H    GLY  12           H        GLY  12  -7.746  14.395  -1.571
   86   1HA   GLY  12          2HA       GLY  12  -8.867  16.651  -2.383
   87   2HA   GLY  12          1HA       GLY  12 -10.317  15.721  -2.027
   88    H    ALA  13           H        ALA  13  -8.916  18.165  -0.797
   89    HA   ALA  13           HA       ALA  13  -8.715  19.081   1.278
   90   1HB   ALA  13          1HB       ALA  13 -10.928  17.502   1.408
   91   2HB   ALA  13          2HB       ALA  13 -10.381  18.571   2.700
   92   3HB   ALA  13          3HB       ALA  13  -9.962  16.858   2.736
   93    H    CYS  14           H        CYS  14  -6.527  17.727   0.366
   94    HA   CYS  14           HA       CYS  14  -5.174  17.073   2.813
   95   1HB   CYS  14          2HB       CYS  14  -6.436  14.962   1.662
   96   2HB   CYS  14          1HB       CYS  14  -4.885  14.895   0.847
   97    H    ARG  15           H        ARG  15  -2.830  16.262   2.150
   98    HA   ARG  15           HA       ARG  15  -1.938  17.481  -0.351
   99   1HB   ARG  15          2HB       ARG  15  -0.936  18.376   2.357
  100   2HB   ARG  15          1HB       ARG  15  -0.214  18.830   0.823
  101   1HG   ARG  15          2HG       ARG  15  -1.518  20.624   0.922
  102   2HG   ARG  15          1HG       ARG  15  -2.837  19.543   0.477
  103   1HD   ARG  15          2HD       ARG  15  -2.587  19.203   3.216
  104   2HD   ARG  15          1HD       ARG  15  -2.325  20.930   2.979
  105    HE   ARG  15           HE       ARG  15  -4.781  19.463   2.572
  106   1HH1  ARG  15          1HH1      ARG  15  -3.012  22.398   1.898
  107   2HH1  ARG  15          2HH1      ARG  15  -4.436  23.326   1.571
  108   1HH2  ARG  15          1HH2      ARG  15  -6.651  20.685   2.140
  109   2HH2  ARG  15          2HH2      ARG  15  -6.501  22.355   1.708
  110    H    ALA  16           H        ALA  16   0.730  17.465  -0.061
  111    HA   ALA  16           HA       ALA  16   1.368  14.698  -0.221
  112   1HB   ALA  16          1HB       ALA  16   3.298  15.371  -1.181
  113   2HB   ALA  16          2HB       ALA  16   3.579  16.638   0.013
  114   3HB   ALA  16          3HB       ALA  16   2.442  16.908  -1.308
  115    H    ALA  17           H        ALA  17   1.745  13.392   1.396
  116    HA   ALA  17           HA       ALA  17   3.502  14.055   3.499
  117   1HB   ALA  17          1HB       ALA  17   0.605  13.577   4.155
  118   2HB   ALA  17          2HB       ALA  17   1.526  15.052   4.450
  119   3HB   ALA  17          3HB       ALA  17   1.912  13.579   5.339
  120    H    ALA  18           H        ALA  18   4.148  12.265   1.841
  121    HA   ALA  18           HA       ALA  18   3.039   9.689   2.068
  122   1HB   ALA  18          1HB       ALA  18   4.856   8.930   0.800
  123   2HB   ALA  18          2HB       ALA  18   5.921  10.201   1.400
  124   3HB   ALA  18          3HB       ALA  18   4.621  10.598   0.277
  125    H    ALA  19           H        ALA  19   3.420   8.011   3.394
  126    HA   ALA  19           HA       ALA  19   5.670   7.869   5.151
  127   1HB   ALA  19          1HB       ALA  19   3.959   9.543   6.185
  128   2HB   ALA  19          2HB       ALA  19   4.732   8.330   7.204
  129   3HB   ALA  19          3HB       ALA  19   3.085   8.077   6.628
  130    H    ARG  20           H        ARG  20   2.406   6.750   4.388
  131    HA   ARG  20           HA       ARG  20   3.285   4.001   4.991
  132   1HB   ARG  20          2HB       ARG  20   0.401   4.833   5.088
  133   2HB   ARG  20          1HB       ARG  20   1.179   3.436   5.830
  134   1HG   ARG  20          2HG       ARG  20   2.383   5.735   6.938
  135   2HG   ARG  20          1HG       ARG  20   0.640   6.003   6.948
  136   1HD   ARG  20          2HD       ARG  20   0.536   4.737   8.774
  137   2HD   ARG  20          1HD       ARG  20   0.991   3.359   7.776
  138    HE   ARG  20           HE       ARG  20   3.173   3.526   8.557
  139   1HH1  ARG  20          1HH1      ARG  20   1.215   6.132   9.816
  140   2HH1  ARG  20          2HH1      ARG  20   2.363   6.565  11.037
  141   1HH2  ARG  20          1HH2      ARG  20   4.680   4.101  10.159
  142   2HH2  ARG  20          2HH2      ARG  20   4.329   5.416  11.230
  143    H    TYR  21           H        TYR  21   1.502   2.465   3.897
  144    HA   TYR  21           HA       TYR  21   1.155   3.332   1.100
  145   1HB   TYR  21          2HB       TYR  21   2.213   0.645   2.004
  146   2HB   TYR  21          1HB       TYR  21   1.865   1.103   0.341
  147    HD1  TYR  21           1HD      TYR  21   3.557   1.983  -0.976
  148    HD2  TYR  21           2HD      TYR  21   3.961   2.123   3.257
  149    HE1  TYR  21           1HE      TYR  21   5.856   2.815  -1.230
  150    HE2  TYR  21           2HE      TYR  21   6.262   2.957   3.015
  151    HH   TYR  21           HH       TYR  21   7.476   4.231   0.253
  152    H    PHE  22           H        PHE  22  -0.325   1.840  -0.116
  153    HA   PHE  22           HA       PHE  22  -2.269   0.444   1.568
  154   1HB   PHE  22          2HB       PHE  22  -4.156   1.550   0.371
  155   2HB   PHE  22          1HB       PHE  22  -3.267   2.611   1.444
  156    HD1  PHE  22           1HD      PHE  22  -1.675   4.275   0.483
  157    HD2  PHE  22           2HD      PHE  22  -4.296   1.966  -1.945
  158    HE1  PHE  22           1HE      PHE  22  -1.332   5.848  -1.375
  159    HE2  PHE  22           2HE      PHE  22  -3.959   3.536  -3.809
  160    HZ   PHE  22           HZ       PHE  22  -2.474   5.480  -3.524
  161    H    TYR  23           H        TYR  23  -3.580  -1.023   0.436
  162    HA   TYR  23           HA       TYR  23  -2.257  -2.081  -1.936
  163   1HB   TYR  23          2HB       TYR  23  -2.892  -3.614  -0.122
  164   2HB   TYR  23          1HB       TYR  23  -4.593  -3.198  -0.366
  165    HD1  TYR  23           1HD      TYR  23  -1.652  -4.829  -1.894
  166    HD2  TYR  23           2HD      TYR  23  -5.854  -4.207  -2.113
  167    HE1  TYR  23           1HE      TYR  23  -1.819  -6.602  -3.588
  168    HE2  TYR  23           2HE      TYR  23  -6.035  -5.984  -3.805
  169    HH   TYR  23           HH       TYR  23  -3.191  -7.840  -4.844
  170    H    ASN  24           H        ASN  24  -3.178  -2.329  -3.936
  171    HA   ASN  24           HA       ASN  24  -5.683  -0.840  -4.411
  172   1HB   ASN  24          2HB       ASN  24  -3.662   0.214  -5.384
  173   2HB   ASN  24          1HB       ASN  24  -3.358  -1.260  -6.306
  174   1HD2  ASN  24          1HD2      ASN  24  -3.770   1.379  -7.313
  175   2HD2  ASN  24          2HD2      ASN  24  -5.174   1.314  -8.327
  176    H    ALA  25           H        ALA  25  -7.220  -2.400  -4.483
  177    HA   ALA  25           HA       ALA  25  -6.910  -5.033  -5.318
  178   1HB   ALA  25          1HB       ALA  25  -9.515  -3.621  -5.698
  179   2HB   ALA  25          2HB       ALA  25  -8.862  -3.849  -4.077
  180   3HB   ALA  25          3HB       ALA  25  -9.197  -5.247  -5.098
  181    H    LYS  26           H        LYS  26  -7.377  -2.152  -7.216
  182    HA   LYS  26           HA       LYS  26  -8.093  -3.627  -9.609
  183   1HB   LYS  26          2HB       LYS  26  -8.535  -1.034  -8.710
  184   2HB   LYS  26          1HB       LYS  26  -7.382  -0.840 -10.023
  185   1HG   LYS  26          2HG       LYS  26  -9.990  -2.330 -10.226
  186   2HG   LYS  26          1HG       LYS  26  -9.724  -0.668 -10.757
  187   1HD   LYS  26          2HD       LYS  26  -7.874  -1.579 -12.228
  188   2HD   LYS  26          1HD       LYS  26  -8.492  -3.187 -11.849
  189   1HE   LYS  26          2HE       LYS  26 -10.657  -1.481 -12.635
  190   2HE   LYS  26          1HE       LYS  26  -9.380  -1.417 -13.849
  191   1HZ   LYS  26          1HZ       LYS  26 -11.226  -3.268 -13.888
  192   2HZ   LYS  26          2HZ       LYS  26 -10.161  -4.045 -12.829
  193   3HZ   LYS  26          3HZ       LYS  26  -9.640  -3.597 -14.375
  194    H    ALA  27           H        ALA  27  -5.185  -2.706  -8.086
  195    HA   ALA  27           HA       ALA  27  -3.732  -2.956 -10.641
  196   1HB   ALA  27          1HB       ALA  27  -3.100  -0.876  -9.933
  197   2HB   ALA  27          2HB       ALA  27  -1.850  -1.860  -9.173
  198   3HB   ALA  27          3HB       ALA  27  -3.224  -1.296  -8.226
  199    H    GLY  28           H        GLY  28  -4.340  -4.453  -7.659
  200   1HA   GLY  28          2HA       GLY  28  -3.638  -6.472  -6.866
  201   2HA   GLY  28          1HA       GLY  28  -2.622  -6.588  -8.278
  202    H    LEU  29           H        LEU  29  -1.715  -3.742  -7.116
  203    HA   LEU  29           HA       LEU  29   0.200  -4.861  -5.187
  204   1HB   LEU  29          2HB       LEU  29   0.690  -3.177  -7.604
  205   2HB   LEU  29          1HB       LEU  29   1.733  -2.977  -6.209
  206    HG   LEU  29           HG       LEU  29   1.785  -5.682  -6.503
  207   1HD1  LEU  29          1HD1      LEU  29   0.503  -4.963  -8.775
  208   2HD1  LEU  29          2HD1      LEU  29   1.515  -6.399  -8.614
  209   3HD1  LEU  29          3HD1      LEU  29   2.183  -4.923  -9.311
  210   1HD2  LEU  29          1HD2      LEU  29   3.562  -3.584  -7.734
  211   2HD2  LEU  29          2HD2      LEU  29   3.979  -5.296  -7.638
  212   3HD2  LEU  29          3HD2      LEU  29   3.744  -4.362  -6.162
  213    H    CYS  30           H        CYS  30   1.417  -2.894  -4.094
  214    HA   CYS  30           HA       CYS  30  -0.704  -1.133  -3.105
  215   1HB   CYS  30          2HB       CYS  30   1.941  -1.292  -1.752
  216   2HB   CYS  30          1HB       CYS  30   0.342  -1.040  -1.069
  217    H    GLN  31           H        GLN  31   0.060   1.040  -2.339
  218    HA   GLN  31           HA       GLN  31   2.229   2.199  -3.864
  219   1HB   GLN  31          2HB       GLN  31   0.321   2.243  -5.435
  220   2HB   GLN  31          1HB       GLN  31  -0.601   3.172  -4.262
  221   1HG   GLN  31          2HG       GLN  31   0.169   4.975  -5.296
  222   2HG   GLN  31          1HG       GLN  31   1.716   4.627  -4.523
  223   1HE2  GLN  31          1HE2      GLN  31   3.407   3.946  -5.745
  224   2HE2  GLN  31          2HE2      GLN  31   3.356   3.785  -7.464
  225    H    THR  32           H        THR  32   2.975   4.134  -3.043
  226    HA   THR  32           HA       THR  32   2.154   4.732  -0.345
  227    HB   THR  32           HB       THR  32   4.561   4.851  -1.602
  228    HG1  THR  32           1HG      THR  32   3.945   4.986   0.711
  229   1HG2  THR  32          1HG2      THR  32   4.084   6.849  -2.879
  230   2HG2  THR  32          2HG2      THR  32   5.293   7.182  -1.639
  231   3HG2  THR  32          3HG2      THR  32   3.626   7.705  -1.406
  232    H    PHE  33           H        PHE  33   1.281   6.646   0.405
  233    HA   PHE  33           HA       PHE  33  -0.686   7.844  -1.170
  234   1HB   PHE  33          2HB       PHE  33   0.609   8.825   1.385
  235   2HB   PHE  33          1HB       PHE  33  -0.850   9.515   0.678
  236    HD1  PHE  33           1HD      PHE  33  -2.952   8.499   0.974
  237    HD2  PHE  33           2HD      PHE  33   0.583   6.460   2.171
  238    HE1  PHE  33           1HE      PHE  33  -4.320   6.799   2.109
  239    HE2  PHE  33           2HE      PHE  33  -0.776   4.758   3.311
  240    HZ   PHE  33           HZ       PHE  33  -3.233   4.924   3.277
  241    H    ALA  34           H        ALA  34  -0.756   9.595  -2.459
  242    HA   ALA  34           HA       ALA  34   1.179  11.696  -2.388
  243   1HB   ALA  34          1HB       ALA  34   1.964  11.307  -4.761
  244   2HB   ALA  34          2HB       ALA  34   1.323   9.672  -4.607
  245   3HB   ALA  34          3HB       ALA  34   2.617  10.215  -3.540
  246    H    TYR  35           H        TYR  35   0.826  13.200  -4.363
  247    HA   TYR  35           HA       TYR  35  -0.622  14.614  -5.422
  248   1HB   TYR  35          2HB       TYR  35  -0.793  12.320  -6.732
  249   2HB   TYR  35          1HB       TYR  35  -2.431  12.325  -6.088
  250    HD1  TYR  35           1HD      TYR  35  -0.657  13.049  -8.903
  251    HD2  TYR  35           2HD      TYR  35  -3.490  14.882  -6.312
  252    HE1  TYR  35           1HE      TYR  35  -1.354  14.538 -10.730
  253    HE2  TYR  35           2HE      TYR  35  -4.197  16.376  -8.133
  254    HH   TYR  35           HH       TYR  35  -3.438  17.244 -10.205
  255    H    GLY  36           H        GLY  36  -1.058  15.051  -3.014
  256   1HA   GLY  36          2HA       GLY  36  -2.471  15.656  -1.371
  257   2HA   GLY  36          1HA       GLY  36  -3.603  15.881  -2.671
  258    H    ALA  37           H        ALA  37  -2.720  12.626  -2.570
  259    HA   ALA  37           HA       ALA  37  -5.289  11.809  -1.723
  260   1HB   ALA  37          1HB       ALA  37  -4.019  10.419  -3.220
  261   2HB   ALA  37          2HB       ALA  37  -4.329   9.521  -1.734
  262   3HB   ALA  37          3HB       ALA  37  -2.738  10.229  -2.021
  263    H    CYS  38           H        CYS  38  -6.101  11.513   0.235
  264    HA   CYS  38           HA       CYS  38  -4.411  11.885   2.558
  265   1HB   CYS  38          2HB       CYS  38  -7.145  12.366   1.937
  266   2HB   CYS  38          1HB       CYS  38  -7.102  11.214   3.265
  267    H    ALA  39           H        ALA  39  -5.049  10.480   4.526
  268    HA   ALA  39           HA       ALA  39  -4.237   7.815   3.943
  269   1HB   ALA  39          1HB       ALA  39  -5.213   8.018   6.607
  270   2HB   ALA  39          2HB       ALA  39  -4.320   9.487   6.215
  271   3HB   ALA  39          3HB       ALA  39  -3.546   7.912   6.044
  272    H    ALA  40           H        ALA  40  -5.413   6.033   3.618
  273    HA   ALA  40           HA       ALA  40  -8.259   6.208   3.411
  274   1HB   ALA  40          1HB       ALA  40  -6.341   3.899   3.157
  275   2HB   ALA  40          2HB       ALA  40  -7.147   4.786   1.863
  276   3HB   ALA  40          3HB       ALA  40  -8.083   3.739   2.931
  277    H    LYS  41           H        LYS  41  -9.704   4.565   4.503
  278    HA   LYS  41           HA       LYS  41  -9.544   4.882   7.291
  279   1HB   LYS  41          2HB       LYS  41 -11.510   4.116   5.525
  280   2HB   LYS  41          1HB       LYS  41 -11.211   2.632   6.418
  281   1HG   LYS  41          2HG       LYS  41 -11.843   3.572   8.445
  282   2HG   LYS  41          1HG       LYS  41 -11.644   5.222   7.849
  283   1HD   LYS  41          2HD       LYS  41 -13.535   4.561   6.187
  284   2HD   LYS  41          1HD       LYS  41 -13.866   3.281   7.355
  285   1HE   LYS  41          2HE       LYS  41 -13.973   5.064   9.123
  286   2HE   LYS  41          1HE       LYS  41 -13.901   6.256   7.824
  287   1HZ   LYS  41          1HZ       LYS  41 -16.081   4.479   8.599
  288   2HZ   LYS  41          2HZ       LYS  41 -15.891   4.772   6.944
  289   3HZ   LYS  41          3HZ       LYS  41 -16.134   6.063   8.009
  290    H    ARG  42           H        ARG  42  -9.811   1.641   5.856
  291    HA   ARG  42           HA       ARG  42  -8.023   0.652   7.921
  292   1HB   ARG  42          2HB       ARG  42  -8.785  -1.604   7.135
  293   2HB   ARG  42          1HB       ARG  42 -10.055  -0.566   7.764
  294   1HG   ARG  42          2HG       ARG  42  -9.914  -0.093   4.985
  295   2HG   ARG  42          1HG       ARG  42  -9.866  -1.839   5.225
  296   1HD   ARG  42          2HD       ARG  42 -11.816  -0.984   6.992
  297   2HD   ARG  42          1HD       ARG  42 -12.069   0.024   5.568
  298    HE   ARG  42           HE       ARG  42 -11.781  -2.557   4.639
  299   1HH1  ARG  42          1HH1      ARG  42 -13.954  -0.856   6.774
  300   2HH1  ARG  42          2HH1      ARG  42 -15.306  -1.878   6.418
  301   1HH2  ARG  42          1HH2      ARG  42 -13.557  -3.905   4.168
  302   2HH2  ARG  42          2HH2      ARG  42 -15.080  -3.611   4.938
  303    H    ASN  43           H        ASN  43  -8.066   1.193   4.494
  304    HA   ASN  43           HA       ASN  43  -5.972  -0.608   3.835
  305   1HB   ASN  43          2HB       ASN  43  -7.823   0.928   2.444
  306   2HB   ASN  43          1HB       ASN  43  -6.281   1.687   2.053
  307   1HD2  ASN  43          1HD2      ASN  43  -7.648  -1.481   2.503
  308   2HD2  ASN  43          2HD2      ASN  43  -6.924  -2.225   1.107
  309    H    ASN  44           H        ASN  44  -4.449  -0.002   5.540
  310    HA   ASN  44           HA       ASN  44  -2.579   2.004   4.610
  311   1HB   ASN  44          2HB       ASN  44  -3.785   2.221   7.372
  312   2HB   ASN  44          1HB       ASN  44  -2.482   3.212   6.729
  313   1HD2  ASN  44          1HD2      ASN  44  -3.015   5.075   5.857
  314   2HD2  ASN  44          2HD2      ASN  44  -4.593   5.526   5.316
  315    H    PHE  45           H        PHE  45  -0.830   0.671   4.496
  316    HA   PHE  45           HA       PHE  45  -0.256  -1.050   6.807
  317   1HB   PHE  45          2HB       PHE  45   0.732  -1.110   3.946
  318   2HB   PHE  45          1HB       PHE  45   1.400  -2.124   5.228
  319    HD1  PHE  45           1HD      PHE  45  -1.282  -1.681   2.868
  320    HD2  PHE  45           2HD      PHE  45  -0.090  -3.772   6.378
  321    HE1  PHE  45           1HE      PHE  45  -3.074  -3.325   2.493
  322    HE2  PHE  45           2HE      PHE  45  -1.879  -5.420   6.007
  323    HZ   PHE  45           HZ       PHE  45  -3.370  -5.198   4.062
  324    H    LYS  46           H        LYS  46   1.638  -0.823   7.950
  325    HA   LYS  46           HA       LYS  46   2.808   1.713   8.068
  326   1HB   LYS  46          2HB       LYS  46   2.815  -0.516   9.666
  327   2HB   LYS  46          1HB       LYS  46   4.485  -0.448   9.119
  328   1HG   LYS  46          2HG       LYS  46   4.537   1.942   9.870
  329   2HG   LYS  46          1HG       LYS  46   2.953   1.674  10.599
  330   1HD   LYS  46          2HD       LYS  46   4.651  -0.445  11.422
  331   2HD   LYS  46          1HD       LYS  46   5.530   1.067  11.653
  332   1HE   LYS  46          2HE       LYS  46   2.748   0.500  12.670
  333   2HE   LYS  46          1HE       LYS  46   4.219   0.409  13.637
  334   1HZ   LYS  46          1HZ       LYS  46   3.915   2.548  14.078
  335   2HZ   LYS  46          2HZ       LYS  46   2.664   2.685  12.949
  336   3HZ   LYS  46          3HZ       LYS  46   4.270   2.896  12.460
  337    H    SER  47           H        SER  47   3.444  -0.837   5.913
  338    HA   SER  47           HA       SER  47   5.482   0.665   4.599
  339   1HB   SER  47          2HB       SER  47   6.906  -1.705   4.891
  340   2HB   SER  47          1HB       SER  47   7.260  -0.176   5.692
  341    HG   SER  47           HG       SER  47   5.667  -2.297   6.692
  342    H    ALA  48           H        ALA  48   6.082  -0.238   2.546
  343    HA   ALA  48           HA       ALA  48   3.988  -1.558   1.226
  344   1HB   ALA  48          1HB       ALA  48   6.248  -2.082  -0.309
  345   2HB   ALA  48          2HB       ALA  48   6.645  -0.587   0.539
  346   3HB   ALA  48          3HB       ALA  48   5.191  -0.679  -0.453
  347    H    GLU  49           H        GLU  49   6.942  -2.724   2.737
  348    HA   GLU  49           HA       GLU  49   6.780  -5.400   1.881
  349   1HB   GLU  49          2HB       GLU  49   8.070  -3.988   4.186
  350   2HB   GLU  49          1HB       GLU  49   7.951  -5.741   4.238
  351   1HG   GLU  49          2HG       GLU  49   9.096  -5.809   2.024
  352   2HG   GLU  49          1HG       GLU  49   9.350  -4.070   2.167
  353    H    ASP  50           H        ASP  50   5.299  -3.555   4.468
  354    HA   ASP  50           HA       ASP  50   4.073  -5.739   5.804
  355   1HB   ASP  50          2HB       ASP  50   3.990  -2.814   5.956
  356   2HB   ASP  50          1HB       ASP  50   2.447  -3.576   6.333
  357    H    CYS  51           H        CYS  51   2.842  -3.394   3.372
  358    HA   CYS  51           HA       CYS  51   0.245  -4.493   3.212
  359   1HB   CYS  51          2HB       CYS  51   0.667  -2.303   2.316
  360   2HB   CYS  51          1HB       CYS  51   1.909  -2.925   1.231
  361    H    LEU  52           H        LEU  52   3.038  -4.956   1.044
  362    HA   LEU  52           HA       LEU  52   1.942  -6.817  -0.658
  363   1HB   LEU  52          2HB       LEU  52   4.770  -6.494   0.327
  364   2HB   LEU  52          1HB       LEU  52   4.332  -7.667  -0.900
  365    HG   LEU  52           HG       LEU  52   3.877  -4.696  -1.158
  366   1HD1  LEU  52          1HD1      LEU  52   5.916  -6.197  -2.727
  367   2HD1  LEU  52          2HD1      LEU  52   6.308  -5.665  -1.091
  368   3HD1  LEU  52          3HD1      LEU  52   5.845  -4.483  -2.315
  369   1HD2  LEU  52          1HD2      LEU  52   3.209  -7.058  -2.797
  370   2HD2  LEU  52          2HD2      LEU  52   3.869  -5.668  -3.660
  371   3HD2  LEU  52          3HD2      LEU  52   2.412  -5.489  -2.684
  372    H    ARG  53           H        ARG  53   3.795  -7.484   2.323
  373    HA   ARG  53           HA       ARG  53   3.564 -10.264   2.252
  374   1HB   ARG  53          2HB       ARG  53   3.963  -8.284   4.470
  375   2HB   ARG  53          1HB       ARG  53   3.735  -9.986   4.842
  376   1HG   ARG  53          2HG       ARG  53   5.679  -9.796   2.784
  377   2HG   ARG  53          1HG       ARG  53   6.103  -8.643   4.052
  378   1HD   ARG  53          2HD       ARG  53   5.253 -11.176   5.159
  379   2HD   ARG  53          1HD       ARG  53   6.598 -11.383   4.041
  380    HE   ARG  53           HE       ARG  53   7.605  -9.467   5.468
  381   1HH1  ARG  53          1HH1      ARG  53   5.652 -12.114   6.657
  382   2HH1  ARG  53          2HH1      ARG  53   6.379 -12.101   8.226
  383   1HH2  ARG  53          1HH2      ARG  53   8.558  -9.463   7.531
  384   2HH2  ARG  53          2HH2      ARG  53   8.025 -10.601   8.722
  385    H    THR  54           H        THR  54   1.350  -7.801   3.427
  386    HA   THR  54           HA       THR  54  -0.446  -9.706   4.617
  387    HB   THR  54           HB       THR  54  -0.954  -6.796   3.987
  388    HG1  THR  54           1HG      THR  54  -0.209  -6.414   6.074
  389   1HG2  THR  54          1HG2      THR  54  -2.940  -7.089   4.904
  390   2HG2  THR  54          2HG2      THR  54  -2.162  -7.626   6.394
  391   3HG2  THR  54          3HG2      THR  54  -2.598  -8.801   5.153
  392    H    CYS  55           H        CYS  55  -1.129  -7.279   2.075
  393    HA   CYS  55           HA       CYS  55  -3.090  -9.123   0.986
  394   1HB   CYS  55          2HB       CYS  55  -3.662  -6.727   1.515
  395   2HB   CYS  55          1HB       CYS  55  -2.641  -6.265   0.156
  396    H    GLY  56           H        GLY  56   0.014  -7.818   0.193
  397   1HA   GLY  56          2HA       GLY  56   0.088  -7.840  -2.549
  398   2HA   GLY  56          1HA       GLY  56   1.438  -8.346  -1.548
  399    H    GLY  57           H        GLY  57  -1.088  -9.354  -3.652
  400   1HA   GLY  57          2HA       GLY  57  -0.043 -12.114  -3.509
  401   2HA   GLY  57          1HA       GLY  57  -1.777 -11.817  -3.526
  402    H    ALA  58           H        ALA  58  -1.514 -13.293  -5.441
  403    HA   ALA  58           HA       ALA  58  -1.348 -13.694  -7.688
  404   1HB   ALA  58          1HB       ALA  58  -3.085 -11.581  -7.189
  405   2HB   ALA  58          2HB       ALA  58  -3.019 -12.581  -8.640
  406   3HB   ALA  58          3HB       ALA  58  -2.129 -11.060  -8.576
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  -9.345 -12.661  -0.243
    2   2H    ARG   1          2HT       ARG   1  -8.396 -12.804  -1.666
    3   3H    ARG   1          3HT       ARG   1  -9.848 -11.889  -1.688
    4    HA   ARG   1           HA       ARG   1  -7.292 -11.276  -0.396
    5   1HB   ARG   1          2HB       ARG   1  -9.085  -9.615  -2.165
    6   2HB   ARG   1          1HB       ARG   1  -7.407  -9.305  -1.742
    7   1HG   ARG   1          2HG       ARG   1  -6.929 -10.222  -3.714
    8   2HG   ARG   1          1HG       ARG   1  -7.254 -11.765  -2.921
    9   1HD   ARG   1          2HD       ARG   1  -8.531 -11.784  -4.902
   10   2HD   ARG   1          1HD       ARG   1  -9.673 -11.446  -3.603
   11    HE   ARG   1           HE       ARG   1 -10.056  -9.383  -4.518
   12   1HH1  ARG   1          1HH1      ARG   1  -7.160 -10.725  -5.928
   13   2HH1  ARG   1          2HH1      ARG   1  -7.018  -9.485  -7.128
   14   1HH2  ARG   1          1HH2      ARG   1  -9.871  -7.750  -6.094
   15   2HH2  ARG   1          2HH2      ARG   1  -8.558  -7.795  -7.222
   16    HA   PRO   2           HA       PRO   2  -9.384  -9.477   3.043
   17   1HB   PRO   2          2HB       PRO   2  -7.438  -7.284   3.045
   18   2HB   PRO   2          1HB       PRO   2  -7.724  -8.533   4.262
   19   1HG   PRO   2          2HG       PRO   2  -5.514  -8.482   2.678
   20   2HG   PRO   2          1HG       PRO   2  -6.219  -9.973   3.330
   21   1HD   PRO   2          2HD       PRO   2  -6.360  -8.858   0.576
   22   2HD   PRO   2          1HD       PRO   2  -6.333 -10.547   1.116
   23    H    ASP   3           H        ASP   3 -11.058  -8.141   3.252
   24    HA   ASP   3           HA       ASP   3 -12.170  -6.709   1.211
   25   1HB   ASP   3          2HB       ASP   3 -12.640  -7.022   4.040
   26   2HB   ASP   3          1HB       ASP   3 -13.011  -5.376   3.537
   27    H    PHE   4           H        PHE   4 -10.476  -5.178   3.960
   28    HA   PHE   4           HA       PHE   4 -10.624  -2.566   3.146
   29   1HB   PHE   4          2HB       PHE   4  -8.341  -2.321   4.345
   30   2HB   PHE   4          1HB       PHE   4  -9.741  -2.865   5.272
   31    HD1  PHE   4           1HD      PHE   4  -6.547  -3.843   3.786
   32    HD2  PHE   4           2HD      PHE   4  -9.869  -5.103   6.122
   33    HE1  PHE   4           1HE      PHE   4  -5.298  -5.846   4.474
   34    HE2  PHE   4           2HE      PHE   4  -8.628  -7.108   6.813
   35    HZ   PHE   4           HZ       PHE   4  -6.339  -7.481   5.989
   36    H    CYS   5           H        CYS   5  -8.636  -5.054   1.765
   37    HA   CYS   5           HA       CYS   5  -6.655  -3.468   0.571
   38   1HB   CYS   5          2HB       CYS   5  -7.837  -6.068  -0.402
   39   2HB   CYS   5          1HB       CYS   5  -6.362  -5.331  -0.997
   40    H    LEU   6           H        LEU   6  -9.960  -4.013  -0.197
   41    HA   LEU   6           HA       LEU   6  -9.774  -2.972  -2.894
   42   1HB   LEU   6          2HB       LEU   6 -12.347  -3.279  -1.391
   43   2HB   LEU   6          1HB       LEU   6 -12.044  -3.457  -3.108
   44    HG   LEU   6           HG       LEU   6 -11.113  -5.407  -0.996
   45   1HD1  LEU   6          1HD1      LEU   6 -12.931  -6.740  -2.486
   46   2HD1  LEU   6          2HD1      LEU   6 -13.643  -5.127  -2.466
   47   3HD1  LEU   6          3HD1      LEU   6 -13.291  -5.953  -0.949
   48   1HD2  LEU   6          1HD2      LEU   6  -9.938  -5.085  -3.335
   49   2HD2  LEU   6          2HD2      LEU   6 -11.319  -6.025  -3.901
   50   3HD2  LEU   6          3HD2      LEU   6 -10.240  -6.694  -2.676
   51    H    GLU   7           H        GLU   7  -9.993  -1.663   0.228
   52    HA   GLU   7           HA       GLU   7 -11.577   0.631  -0.341
   53   1HB   GLU   7          2HB       GLU   7 -10.722  -0.529   1.943
   54   2HB   GLU   7          1HB       GLU   7  -9.570   0.795   1.825
   55   1HG   GLU   7          2HG       GLU   7 -11.078   2.286   2.470
   56   2HG   GLU   7          1HG       GLU   7 -12.272   1.686   1.320
   57    HA   PRO   8           HA       PRO   8  -8.161   2.824  -2.278
   58   1HB   PRO   8          2HB       PRO   8  -9.624   4.382  -3.859
   59   2HB   PRO   8          1HB       PRO   8  -9.518   2.644  -4.165
   60   1HG   PRO   8          2HG       PRO   8 -11.747   4.228  -3.001
   61   2HG   PRO   8          1HG       PRO   8 -11.806   2.760  -3.991
   62   1HD   PRO   8          2HD       PRO   8 -11.991   2.940  -1.157
   63   2HD   PRO   8          1HD       PRO   8 -11.886   1.463  -2.135
   64    HA   PRO   9           HA       PRO   9  -8.134   6.513   0.220
   65   1HB   PRO   9          2HB       PRO   9  -6.157   7.895  -0.937
   66   2HB   PRO   9          1HB       PRO   9  -5.833   6.379  -0.083
   67   1HG   PRO   9          2HG       PRO   9  -6.134   6.862  -3.025
   68   2HG   PRO   9          1HG       PRO   9  -4.914   5.910  -2.170
   69   1HD   PRO   9          2HD       PRO   9  -7.101   4.806  -3.363
   70   2HD   PRO   9          1HD       PRO   9  -6.300   4.092  -1.947
   71    H    TYR  10           H        TYR  10  -8.952   8.585   0.244
   72    HA   TYR  10           HA       TYR  10 -10.392   9.401  -2.137
   73   1HB   TYR  10          2HB       TYR  10 -11.270  11.239  -0.646
   74   2HB   TYR  10          1HB       TYR  10 -11.660   9.604  -0.140
   75    HD1  TYR  10           1HD      TYR  10 -10.248  12.731   0.831
   76    HD2  TYR  10           2HD      TYR  10 -10.222   8.572   1.729
   77    HE1  TYR  10           1HE      TYR  10  -9.376  13.226   3.078
   78    HE2  TYR  10           2HE      TYR  10  -9.346   9.056   3.975
   79    HH   TYR  10           HH       TYR  10  -9.177  12.278   5.231
   80    H    ALA  11           H        ALA  11  -9.806  10.958  -3.501
   81    HA   ALA  11           HA       ALA  11  -7.293  12.364  -2.973
   82   1HB   ALA  11          1HB       ALA  11  -6.862  12.175  -5.156
   83   2HB   ALA  11          2HB       ALA  11  -8.470  12.740  -5.613
   84   3HB   ALA  11          3HB       ALA  11  -8.213  11.044  -5.202
   85    H    GLY  12           H        GLY  12  -8.062  13.981  -1.575
   86   1HA   GLY  12          2HA       GLY  12  -8.567  16.452  -2.476
   87   2HA   GLY  12          1HA       GLY  12 -10.180  15.752  -2.505
   88    H    ALA  13           H        ALA  13  -9.218  17.978  -0.923
   89    HA   ALA  13           HA       ALA  13  -9.397  18.809   1.187
   90   1HB   ALA  13          1HB       ALA  13 -10.802  16.439   2.246
   91   2HB   ALA  13          2HB       ALA  13 -11.542  17.225   0.851
   92   3HB   ALA  13          3HB       ALA  13 -11.237  18.146   2.324
   93    H    CYS  14           H        CYS  14  -7.063  17.331   0.563
   94    HA   CYS  14           HA       CYS  14  -6.075  16.847   3.203
   95   1HB   CYS  14          2HB       CYS  14  -7.188  14.714   2.681
   96   2HB   CYS  14          1HB       CYS  14  -6.153  14.533   1.277
   97    H    ARG  15           H        ARG  15  -3.712  16.396   3.166
   98    HA   ARG  15           HA       ARG  15  -2.320  16.730   0.663
   99   1HB   ARG  15          2HB       ARG  15  -3.031  19.047   1.295
  100   2HB   ARG  15          1HB       ARG  15  -2.039  18.899   2.739
  101   1HG   ARG  15          2HG       ARG  15  -0.313  19.649   1.579
  102   2HG   ARG  15          1HG       ARG  15  -0.385  18.192   0.589
  103   1HD   ARG  15          2HD       ARG  15  -0.919  19.445  -1.164
  104   2HD   ARG  15          1HD       ARG  15  -2.413  19.907  -0.350
  105    HE   ARG  15           HE       ARG  15  -0.087  21.435   0.422
  106   1HH1  ARG  15          1HH1      ARG  15  -2.807  21.199  -1.755
  107   2HH1  ARG  15          2HH1      ARG  15  -2.824  22.892  -2.116
  108   1HH2  ARG  15          1HH2      ARG  15  -0.108  23.661  -0.054
  109   2HH2  ARG  15          2HH2      ARG  15  -1.290  24.289  -1.153
  110    H    ALA  16           H        ALA  16  -0.336  15.867   0.731
  111    HA   ALA  16           HA       ALA  16   1.563  14.884   1.501
  112   1HB   ALA  16          1HB       ALA  16   1.935  15.570   4.124
  113   2HB   ALA  16          2HB       ALA  16   0.976  16.917   3.512
  114   3HB   ALA  16          3HB       ALA  16   2.501  16.494   2.733
  115    H    ALA  17           H        ALA  17   1.618  12.776   1.844
  116    HA   ALA  17           HA       ALA  17   0.792  11.627   4.272
  117   1HB   ALA  17          1HB       ALA  17  -1.378  11.787   3.069
  118   2HB   ALA  17          2HB       ALA  17  -0.915  10.139   3.484
  119   3HB   ALA  17          3HB       ALA  17  -0.713  10.721   1.832
  120    H    ALA  18           H        ALA  18   3.213  11.776   3.131
  121    HA   ALA  18           HA       ALA  18   3.934   9.542   1.538
  122   1HB   ALA  18          1HB       ALA  18   5.909  10.868   3.327
  123   2HB   ALA  18          2HB       ALA  18   5.175  11.799   2.022
  124   3HB   ALA  18          3HB       ALA  18   6.082  10.331   1.655
  125    H    ALA  19           H        ALA  19   6.083   8.410   2.660
  126    HA   ALA  19           HA       ALA  19   6.634   6.529   3.830
  127   1HB   ALA  19          1HB       ALA  19   6.489   6.794   6.288
  128   2HB   ALA  19          2HB       ALA  19   5.522   8.249   6.039
  129   3HB   ALA  19          3HB       ALA  19   7.190   8.190   5.471
  130    H    ARG  20           H        ARG  20   3.841   6.617   2.726
  131    HA   ARG  20           HA       ARG  20   2.849   4.358   4.286
  132   1HB   ARG  20          2HB       ARG  20   1.060   6.648   3.469
  133   2HB   ARG  20          1HB       ARG  20   0.564   5.180   4.306
  134   1HG   ARG  20          2HG       ARG  20   1.589   5.825   6.299
  135   2HG   ARG  20          1HG       ARG  20   2.598   7.030   5.501
  136   1HD   ARG  20          2HD       ARG  20   1.083   8.500   6.231
  137   2HD   ARG  20          1HD       ARG  20   0.101   7.919   4.892
  138    HE   ARG  20           HE       ARG  20  -0.963   6.392   6.495
  139   1HH1  ARG  20          1HH1      ARG  20   0.727   9.189   7.755
  140   2HH1  ARG  20          2HH1      ARG  20  -0.173   9.211   9.232
  141   1HH2  ARG  20          1HH2      ARG  20  -2.134   6.436   8.440
  142   2HH2  ARG  20          2HH2      ARG  20  -1.791   7.654   9.621
  143    H    TYR  21           H        TYR  21   1.277   3.061   3.139
  144    HA   TYR  21           HA       TYR  21   1.176   3.477   0.243
  145   1HB   TYR  21          2HB       TYR  21   1.988   0.831   1.456
  146   2HB   TYR  21          1HB       TYR  21   1.899   1.234  -0.253
  147    HD1  TYR  21           1HD      TYR  21   3.635   2.397   2.851
  148    HD2  TYR  21           2HD      TYR  21   3.863   1.727  -1.343
  149    HE1  TYR  21           1HE      TYR  21   6.014   3.012   2.888
  150    HE2  TYR  21           2HE      TYR  21   6.243   2.343  -1.319
  151    HH   TYR  21           HH       TYR  21   8.032   2.761  -0.001
  152    H    PHE  22           H        PHE  22  -0.230   1.711  -0.783
  153    HA   PHE  22           HA       PHE  22  -2.296   0.619   0.939
  154   1HB   PHE  22          2HB       PHE  22  -4.132   1.619  -0.404
  155   2HB   PHE  22          1HB       PHE  22  -3.243   2.797   0.540
  156    HD1  PHE  22           1HD      PHE  22  -4.342   1.817  -2.714
  157    HD2  PHE  22           2HD      PHE  22  -1.503   4.212  -0.638
  158    HE1  PHE  22           1HE      PHE  22  -3.949   3.120  -4.763
  159    HE2  PHE  22           2HE      PHE  22  -1.107   5.520  -2.682
  160    HZ   PHE  22           HZ       PHE  22  -2.329   4.975  -4.748
  161    H    TYR  23           H        TYR  23  -3.667  -0.889  -0.182
  162    HA   TYR  23           HA       TYR  23  -2.191  -2.252  -2.280
  163   1HB   TYR  23          2HB       TYR  23  -3.189  -3.559  -0.468
  164   2HB   TYR  23          1HB       TYR  23  -4.801  -3.015  -0.946
  165    HD1  TYR  23           1HD      TYR  23  -1.833  -4.907  -2.141
  166    HD2  TYR  23           2HD      TYR  23  -6.002  -4.194  -2.589
  167    HE1  TYR  23           1HE      TYR  23  -1.986  -6.807  -3.694
  168    HE2  TYR  23           2HE      TYR  23  -6.168  -6.095  -4.139
  169    HH   TYR  23           HH       TYR  23  -3.654  -8.364  -4.539
  170    H    ASN  24           H        ASN  24  -2.761  -2.477  -4.360
  171    HA   ASN  24           HA       ASN  24  -5.005  -0.832  -5.319
  172   1HB   ASN  24          2HB       ASN  24  -2.775  -0.204  -6.160
  173   2HB   ASN  24          1HB       ASN  24  -2.560  -1.832  -6.807
  174   1HD2  ASN  24          1HD2      ASN  24  -2.584   0.778  -8.116
  175   2HD2  ASN  24          2HD2      ASN  24  -3.793   0.657  -9.353
  176    H    ALA  25           H        ALA  25  -6.664  -2.333  -5.089
  177    HA   ALA  25           HA       ALA  25  -6.627  -5.019  -5.742
  178   1HB   ALA  25          1HB       ALA  25  -8.482  -3.428  -4.699
  179   2HB   ALA  25          2HB       ALA  25  -8.877  -4.992  -5.412
  180   3HB   ALA  25          3HB       ALA  25  -9.111  -3.514  -6.345
  181    H    LYS  26           H        LYS  26  -6.635  -2.291  -7.861
  182    HA   LYS  26           HA       LYS  26  -7.492  -3.854 -10.163
  183   1HB   LYS  26          2HB       LYS  26  -7.586  -1.125  -9.460
  184   2HB   LYS  26          1HB       LYS  26  -6.512  -1.237 -10.848
  185   1HG   LYS  26          2HG       LYS  26  -8.403  -2.690 -11.871
  186   2HG   LYS  26          1HG       LYS  26  -9.408  -1.929 -10.637
  187   1HD   LYS  26          2HD       LYS  26  -8.317   0.274 -11.552
  188   2HD   LYS  26          1HD       LYS  26  -8.032  -0.710 -12.988
  189   1HE   LYS  26          2HE       LYS  26 -10.102   0.348 -13.356
  190   2HE   LYS  26          1HE       LYS  26 -10.496  -1.307 -12.891
  191   1HZ   LYS  26          1HZ       LYS  26 -10.681   1.133 -11.217
  192   2HZ   LYS  26          2HZ       LYS  26 -10.796  -0.430 -10.581
  193   3HZ   LYS  26          3HZ       LYS  26 -11.940   0.112 -11.704
  194    H    ALA  27           H        ALA  27  -4.612  -3.520  -8.554
  195    HA   ALA  27           HA       ALA  27  -3.124  -4.155 -11.007
  196   1HB   ALA  27          1HB       ALA  27  -1.542  -2.612  -9.102
  197   2HB   ALA  27          2HB       ALA  27  -2.884  -1.713  -9.810
  198   3HB   ALA  27          3HB       ALA  27  -1.680  -2.465 -10.854
  199    H    GLY  28           H        GLY  28  -3.939  -5.124  -7.939
  200   1HA   GLY  28          2HA       GLY  28  -3.285  -6.918  -6.710
  201   2HA   GLY  28          1HA       GLY  28  -2.179  -7.292  -8.003
  202    H    LEU  29           H        LEU  29  -1.225  -4.308  -7.279
  203    HA   LEU  29           HA       LEU  29   0.535  -5.204  -5.094
  204   1HB   LEU  29          2HB       LEU  29   1.166  -4.054  -7.719
  205   2HB   LEU  29          1HB       LEU  29   2.013  -3.301  -6.382
  206    HG   LEU  29           HG       LEU  29   2.639  -5.730  -5.713
  207   1HD1  LEU  29          1HD1      LEU  29   2.736  -7.314  -7.506
  208   2HD1  LEU  29          2HD1      LEU  29   2.085  -6.136  -8.646
  209   3HD1  LEU  29          3HD1      LEU  29   1.070  -6.758  -7.345
  210   1HD2  LEU  29          1HD2      LEU  29   4.255  -4.089  -6.449
  211   2HD2  LEU  29          2HD2      LEU  29   3.811  -4.366  -8.133
  212   3HD2  LEU  29          3HD2      LEU  29   4.598  -5.644  -7.206
  213    H    CYS  30           H        CYS  30   1.680  -3.261  -4.026
  214    HA   CYS  30           HA       CYS  30  -0.391  -1.269  -3.452
  215   1HB   CYS  30          2HB       CYS  30   2.051  -1.424  -1.772
  216   2HB   CYS  30          1HB       CYS  30   0.396  -1.063  -1.317
  217    H    GLN  31           H        GLN  31   0.364   0.903  -2.884
  218    HA   GLN  31           HA       GLN  31   2.820   1.795  -4.137
  219   1HB   GLN  31          2HB       GLN  31   0.098   2.629  -5.124
  220   2HB   GLN  31          1HB       GLN  31   1.544   3.583  -5.421
  221   1HG   GLN  31          2HG       GLN  31   2.529   1.833  -6.700
  222   2HG   GLN  31          1HG       GLN  31   1.257   0.705  -6.237
  223   1HE2  GLN  31          1HE2      GLN  31   0.561   0.255  -8.279
  224   2HE2  GLN  31          2HE2      GLN  31  -0.221   1.411  -9.298
  225    H    THR  32           H        THR  32   3.271   4.090  -3.702
  226    HA   THR  32           HA       THR  32   2.558   4.778  -1.010
  227    HB   THR  32           HB       THR  32   4.812   5.181  -2.170
  228    HG1  THR  32           1HG      THR  32   5.115   7.104  -0.955
  229   1HG2  THR  32          1HG2      THR  32   3.297   6.740  -3.905
  230   2HG2  THR  32          2HG2      THR  32   5.056   6.669  -3.788
  231   3HG2  THR  32          3HG2      THR  32   4.160   7.890  -2.884
  232    H    PHE  33           H        PHE  33   1.626   6.809  -0.351
  233    HA   PHE  33           HA       PHE  33  -0.745   7.424  -1.822
  234   1HB   PHE  33          2HB       PHE  33   0.496   8.611   0.655
  235   2HB   PHE  33          1HB       PHE  33  -1.011   9.202  -0.034
  236    HD1  PHE  33           1HD      PHE  33   0.629   6.312   1.549
  237    HD2  PHE  33           2HD      PHE  33  -3.042   8.022   0.252
  238    HE1  PHE  33           1HE      PHE  33  -0.607   4.573   2.770
  239    HE2  PHE  33           2HE      PHE  33  -4.285   6.288   1.474
  240    HZ   PHE  33           HZ       PHE  33  -3.068   4.560   2.735
  241    H    ALA  34           H        ALA  34  -0.360   8.399  -3.759
  242    HA   ALA  34           HA       ALA  34   1.522  10.548  -4.052
  243   1HB   ALA  34          1HB       ALA  34   1.397   9.552  -6.075
  244   2HB   ALA  34          2HB       ALA  34   0.062  10.679  -6.316
  245   3HB   ALA  34          3HB       ALA  34  -0.264   9.017  -5.825
  246    H    TYR  35           H        TYR  35   0.843  12.683  -4.962
  247    HA   TYR  35           HA       TYR  35  -0.153  14.705  -4.413
  248   1HB   TYR  35          2HB       TYR  35  -2.619  14.682  -5.043
  249   2HB   TYR  35          1HB       TYR  35  -1.491  14.150  -6.281
  250    HD1  TYR  35           1HD      TYR  35  -1.563  11.931  -7.141
  251    HD2  TYR  35           2HD      TYR  35  -4.003  13.015  -3.831
  252    HE1  TYR  35           1HE      TYR  35  -2.823   9.835  -7.391
  253    HE2  TYR  35           2HE      TYR  35  -5.269  10.924  -4.072
  254    HH   TYR  35           HH       TYR  35  -4.739   8.746  -6.775
  255    H    GLY  36           H        GLY  36  -2.478  15.454  -3.417
  256   1HA   GLY  36          2HA       GLY  36  -2.098  15.198  -0.638
  257   2HA   GLY  36          1HA       GLY  36  -3.483  15.942  -1.411
  258    H    ALA  37           H        ALA  37  -2.692  12.519  -1.976
  259    HA   ALA  37           HA       ALA  37  -5.298  11.745  -1.151
  260   1HB   ALA  37          1HB       ALA  37  -3.019  10.482  -2.366
  261   2HB   ALA  37          2HB       ALA  37  -4.718  10.023  -2.431
  262   3HB   ALA  37          3HB       ALA  37  -3.698   9.447  -1.113
  263    H    CYS  38           H        CYS  38  -6.066  11.220   0.801
  264    HA   CYS  38           HA       CYS  38  -4.295  11.363   3.082
  265   1HB   CYS  38          2HB       CYS  38  -7.122  11.717   2.603
  266   2HB   CYS  38          1HB       CYS  38  -6.858  10.630   3.962
  267    H    ALA  39           H        ALA  39  -4.520   9.765   4.863
  268    HA   ALA  39           HA       ALA  39  -3.938   7.152   3.892
  269   1HB   ALA  39          1HB       ALA  39  -2.779   8.020   5.829
  270   2HB   ALA  39          2HB       ALA  39  -3.675   6.567   6.268
  271   3HB   ALA  39          3HB       ALA  39  -4.301   8.155   6.707
  272    H    ALA  40           H        ALA  40  -5.124   5.338   3.858
  273    HA   ALA  40           HA       ALA  40  -7.954   5.558   3.942
  274   1HB   ALA  40          1HB       ALA  40  -7.105   2.824   4.038
  275   2HB   ALA  40          2HB       ALA  40  -6.080   3.729   2.924
  276   3HB   ALA  40          3HB       ALA  40  -7.829   3.721   2.702
  277    H    LYS  41           H        LYS  41  -9.417   4.450   5.320
  278    HA   LYS  41           HA       LYS  41  -8.851   4.714   8.054
  279   1HB   LYS  41          2HB       LYS  41 -11.117   4.117   6.435
  280   2HB   LYS  41          1HB       LYS  41 -11.032   2.908   7.708
  281   1HG   LYS  41          2HG       LYS  41 -10.917   4.717   9.378
  282   2HG   LYS  41          1HG       LYS  41 -11.097   5.896   8.076
  283   1HD   LYS  41          2HD       LYS  41 -13.130   3.801   8.029
  284   2HD   LYS  41          1HD       LYS  41 -13.148   4.758   9.511
  285   1HE   LYS  41          2HE       LYS  41 -12.859   6.675   7.576
  286   2HE   LYS  41          1HE       LYS  41 -13.899   5.495   6.782
  287   1HZ   LYS  41          1HZ       LYS  41 -14.401   6.901   9.344
  288   2HZ   LYS  41          2HZ       LYS  41 -15.329   5.592   8.809
  289   3HZ   LYS  41          3HZ       LYS  41 -15.288   7.023   7.908
  290    H    ARG  42           H        ARG  42  -9.640   1.671   6.356
  291    HA   ARG  42           HA       ARG  42  -8.386   0.168   8.480
  292   1HB   ARG  42          2HB       ARG  42 -10.365  -0.354   6.410
  293   2HB   ARG  42          1HB       ARG  42  -9.195  -1.657   6.572
  294   1HG   ARG  42          2HG       ARG  42  -9.994  -2.301   8.564
  295   2HG   ARG  42          1HG       ARG  42 -10.275  -0.644   9.105
  296   1HD   ARG  42          2HD       ARG  42 -12.349  -2.002   8.833
  297   2HD   ARG  42          1HD       ARG  42 -12.322  -0.520   7.879
  298    HE   ARG  42           HE       ARG  42 -11.388  -2.342   6.140
  299   1HH1  ARG  42          1HH1      ARG  42 -14.200  -2.306   8.206
  300   2HH1  ARG  42          2HH1      ARG  42 -15.144  -3.295   7.146
  301   1HH2  ARG  42          1HH2      ARG  42 -12.627  -3.644   4.745
  302   2HH2  ARG  42          2HH2      ARG  42 -14.252  -4.056   5.181
  303    H    ASN  43           H        ASN  43  -8.044   0.294   4.913
  304    HA   ASN  43           HA       ASN  43  -5.587  -1.203   5.085
  305   1HB   ASN  43          2HB       ASN  43  -6.420  -1.898   3.129
  306   2HB   ASN  43          1HB       ASN  43  -7.562  -0.567   3.067
  307   1HD2  ASN  43          1HD2      ASN  43  -6.989   1.328   2.050
  308   2HD2  ASN  43          2HD2      ASN  43  -5.717   1.387   0.874
  309    H    ASN  44           H        ASN  44  -4.038  -0.030   6.043
  310    HA   ASN  44           HA       ASN  44  -2.843   2.104   4.514
  311   1HB   ASN  44          2HB       ASN  44  -2.800   3.682   6.440
  312   2HB   ASN  44          1HB       ASN  44  -4.421   3.393   5.818
  313   1HD2  ASN  44          1HD2      ASN  44  -5.736   1.811   6.969
  314   2HD2  ASN  44          2HD2      ASN  44  -5.550   1.662   8.680
  315    H    PHE  45           H        PHE  45  -0.991   0.855   4.348
  316    HA   PHE  45           HA       PHE  45   0.283   0.009   6.853
  317   1HB   PHE  45          2HB       PHE  45   0.853  -0.781   3.986
  318   2HB   PHE  45          1HB       PHE  45   1.705  -1.395   5.402
  319    HD1  PHE  45           1HD      PHE  45   0.759  -3.077   6.785
  320    HD2  PHE  45           2HD      PHE  45  -1.521  -1.361   3.626
  321    HE1  PHE  45           1HE      PHE  45  -0.935  -4.841   7.054
  322    HE2  PHE  45           2HE      PHE  45  -3.220  -3.123   3.889
  323    HZ   PHE  45           HZ       PHE  45  -2.928  -4.866   5.605
  324    H    LYS  46           H        LYS  46   2.040   1.019   7.584
  325    HA   LYS  46           HA       LYS  46   2.993   3.391   6.401
  326   1HB   LYS  46          2HB       LYS  46   3.776   1.697   8.715
  327   2HB   LYS  46          1HB       LYS  46   4.984   2.818   8.100
  328   1HG   LYS  46          2HG       LYS  46   3.501   4.684   8.452
  329   2HG   LYS  46          1HG       LYS  46   2.197   3.598   8.933
  330   1HD   LYS  46          2HD       LYS  46   3.732   2.804  10.788
  331   2HD   LYS  46          1HD       LYS  46   4.767   4.175  10.386
  332   1HE   LYS  46          2HE       LYS  46   2.466   5.482  10.597
  333   2HE   LYS  46          1HE       LYS  46   2.080   4.121  11.649
  334   1HZ   LYS  46          1HZ       LYS  46   4.330   6.031  11.943
  335   2HZ   LYS  46          2HZ       LYS  46   4.176   4.620  12.864
  336   3HZ   LYS  46          3HZ       LYS  46   3.006   5.836  12.980
  337    H    SER  47           H        SER  47   3.651   0.144   5.670
  338    HA   SER  47           HA       SER  47   5.851   0.971   3.947
  339   1HB   SER  47          2HB       SER  47   6.627  -1.574   4.737
  340   2HB   SER  47          1HB       SER  47   7.367  -0.053   5.232
  341    HG   SER  47           HG       SER  47   6.040  -0.050   7.055
  342    H    ALA  48           H        ALA  48   5.989  -0.106   2.044
  343    HA   ALA  48           HA       ALA  48   3.645  -1.331   1.076
  344   1HB   ALA  48          1HB       ALA  48   6.368  -0.838   0.007
  345   2HB   ALA  48          2HB       ALA  48   4.792  -0.448  -0.683
  346   3HB   ALA  48          3HB       ALA  48   5.416  -2.094  -0.783
  347    H    GLU  49           H        GLU  49   6.673  -2.641   2.309
  348    HA   GLU  49           HA       GLU  49   6.252  -5.325   1.612
  349   1HB   GLU  49          2HB       GLU  49   8.404  -4.496   2.478
  350   2HB   GLU  49          1HB       GLU  49   7.662  -4.194   4.045
  351   1HG   GLU  49          2HG       GLU  49   7.603  -6.404   4.603
  352   2HG   GLU  49          1HG       GLU  49   7.512  -6.939   2.926
  353    H    ASP  50           H        ASP  50   5.171  -3.345   4.302
  354    HA   ASP  50           HA       ASP  50   3.947  -5.419   5.794
  355   1HB   ASP  50          2HB       ASP  50   4.386  -2.693   6.147
  356   2HB   ASP  50          1HB       ASP  50   2.632  -2.835   6.058
  357    H    CYS  51           H        CYS  51   2.722  -3.157   3.307
  358    HA   CYS  51           HA       CYS  51   0.024  -3.967   3.424
  359   1HB   CYS  51          2HB       CYS  51   0.434  -1.976   2.237
  360   2HB   CYS  51          1HB       CYS  51   1.745  -2.693   1.300
  361    H    LEU  52           H        LEU  52   2.610  -4.957   1.171
  362    HA   LEU  52           HA       LEU  52   1.217  -6.887  -0.236
  363   1HB   LEU  52          2HB       LEU  52   4.136  -6.757   0.509
  364   2HB   LEU  52          1HB       LEU  52   3.479  -7.940  -0.608
  365    HG   LEU  52           HG       LEU  52   3.374  -4.948  -0.996
  366   1HD1  LEU  52          1HD1      LEU  52   5.073  -6.992  -2.411
  367   2HD1  LEU  52          2HD1      LEU  52   5.651  -5.923  -1.133
  368   3HD1  LEU  52          3HD1      LEU  52   5.079  -5.247  -2.658
  369   1HD2  LEU  52          1HD2      LEU  52   2.571  -5.448  -3.214
  370   2HD2  LEU  52          2HD2      LEU  52   1.505  -6.197  -2.027
  371   3HD2  LEU  52          3HD2      LEU  52   2.680  -7.180  -2.902
  372    H    ARG  53           H        ARG  53   2.998  -7.234   2.820
  373    HA   ARG  53           HA       ARG  53   2.782 -10.007   3.074
  374   1HB   ARG  53          2HB       ARG  53   4.089  -8.318   4.530
  375   2HB   ARG  53          1HB       ARG  53   2.592  -8.153   5.435
  376   1HG   ARG  53          2HG       ARG  53   3.671 -10.881   4.950
  377   2HG   ARG  53          1HG       ARG  53   4.444  -9.859   6.163
  378   1HD   ARG  53          2HD       ARG  53   2.626  -9.887   7.545
  379   2HD   ARG  53          1HD       ARG  53   1.483 -10.073   6.216
  380    HE   ARG  53           HE       ARG  53   1.619 -12.335   6.477
  381   1HH1  ARG  53          1HH1      ARG  53   4.383 -10.876   8.031
  382   2HH1  ARG  53          2HH1      ARG  53   4.944 -12.366   8.712
  383   1HH2  ARG  53          1HH2      ARG  53   2.356 -14.295   7.373
  384   2HH2  ARG  53          2HH2      ARG  53   3.795 -14.307   8.338
  385    H    THR  54           H        THR  54   0.610  -7.446   4.239
  386    HA   THR  54           HA       THR  54  -1.329  -9.347   5.202
  387    HB   THR  54           HB       THR  54  -1.719  -6.383   4.803
  388    HG1  THR  54           1HG      THR  54   0.099  -6.577   6.043
  389   1HG2  THR  54          1HG2      THR  54  -3.699  -6.752   5.712
  390   2HG2  THR  54          2HG2      THR  54  -2.869  -7.237   7.190
  391   3HG2  THR  54          3HG2      THR  54  -3.316  -8.450   5.991
  392    H    CYS  55           H        CYS  55  -1.571  -6.744   2.773
  393    HA   CYS  55           HA       CYS  55  -3.946  -7.796   1.642
  394   1HB   CYS  55          2HB       CYS  55  -2.131  -5.517   1.086
  395   2HB   CYS  55          1HB       CYS  55  -3.123  -6.078  -0.253
  396    H    GLY  56           H        GLY  56  -0.558  -7.808   0.544
  397   1HA   GLY  56          2HA       GLY  56  -0.949  -8.916  -1.977
  398   2HA   GLY  56          1HA       GLY  56   0.505  -9.131  -1.016
  399    H    GLY  57           H        GLY  57   0.169 -10.796   0.846
  400   1HA   GLY  57          2HA       GLY  57  -0.336 -13.294  -0.348
  401   2HA   GLY  57          1HA       GLY  57  -0.111 -13.015   1.373
  402    H    ALA  58           H        ALA  58  -1.826 -13.180   2.699
  403    HA   ALA  58           HA       ALA  58  -3.986 -13.347   3.427
  404   1HB   ALA  58          1HB       ALA  58  -4.993 -12.807   0.651
  405   2HB   ALA  58          2HB       ALA  58  -4.410 -11.512   1.698
  406   3HB   ALA  58          3HB       ALA  58  -5.787 -12.496   2.195
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1  -6.722 -12.461   0.046
    2   2H    ARG   1          2HT       ARG   1  -6.187 -12.408  -1.584
    3   3H    ARG   1          3HT       ARG   1  -7.789 -12.907  -1.219
    4    HA   ARG   1           HA       ARG   1  -6.594 -10.240  -1.076
    5   1HB   ARG   1          2HB       ARG   1  -7.574 -10.921  -3.177
    6   2HB   ARG   1          1HB       ARG   1  -9.039 -11.454  -2.368
    7   1HG   ARG   1          2HG       ARG   1  -9.886  -9.455  -2.825
    8   2HG   ARG   1          1HG       ARG   1  -8.781  -8.799  -1.616
    9   1HD   ARG   1          2HD       ARG   1  -7.199  -8.188  -3.227
   10   2HD   ARG   1          1HD       ARG   1  -7.915  -9.229  -4.454
   11    HE   ARG   1           HE       ARG   1  -9.098  -6.705  -3.489
   12   1HH1  ARG   1          1HH1      ARG   1  -8.681  -9.115  -5.993
   13   2HH1  ARG   1          2HH1      ARG   1  -9.588  -8.224  -7.165
   14   1HH2  ARG   1          1HH2      ARG   1 -10.293  -5.550  -5.033
   15   2HH2  ARG   1          2HH2      ARG   1 -10.503  -6.204  -6.623
   16    HA   PRO   2           HA       PRO   2  -8.888 -10.355   2.901
   17   1HB   PRO   2          2HB       PRO   2  -7.470  -7.786   3.223
   18   2HB   PRO   2          1HB       PRO   2  -7.533  -9.186   4.304
   19   1HG   PRO   2          2HG       PRO   2  -5.334  -8.562   2.868
   20   2HG   PRO   2          1HG       PRO   2  -5.772 -10.223   3.261
   21   1HD   PRO   2          2HD       PRO   2  -6.015  -8.781   0.710
   22   2HD   PRO   2          1HD       PRO   2  -5.697 -10.494   1.003
   23    H    ASP   3           H        ASP   3 -10.622  -9.120   3.647
   24    HA   ASP   3           HA       ASP   3 -12.271  -7.928   1.809
   25   1HB   ASP   3          2HB       ASP   3 -12.101  -7.665   4.799
   26   2HB   ASP   3          1HB       ASP   3 -13.321  -6.785   3.883
   27    H    PHE   4           H        PHE   4 -10.424  -6.095   4.268
   28    HA   PHE   4           HA       PHE   4 -10.993  -3.567   3.271
   29   1HB   PHE   4          2HB       PHE   4  -8.687  -2.972   4.322
   30   2HB   PHE   4          1HB       PHE   4 -10.012  -3.494   5.360
   31    HD1  PHE   4           1HD      PHE   4  -9.924  -5.604   6.505
   32    HD2  PHE   4           2HD      PHE   4  -6.783  -4.400   3.902
   33    HE1  PHE   4           1HE      PHE   4  -8.479  -7.358   7.443
   34    HE2  PHE   4           2HE      PHE   4  -5.335  -6.156   4.831
   35    HZ   PHE   4           HZ       PHE   4  -6.183  -7.637   6.604
   36    H    CYS   5           H        CYS   5  -8.857  -5.966   2.023
   37    HA   CYS   5           HA       CYS   5  -7.073  -4.361   0.573
   38   1HB   CYS   5          2HB       CYS   5  -7.407  -7.067   0.936
   39   2HB   CYS   5          1HB       CYS   5  -7.853  -6.864  -0.753
   40    H    LEU   6           H        LEU   6 -10.389  -5.019   0.173
   41    HA   LEU   6           HA       LEU   6 -10.487  -4.362  -2.645
   42   1HB   LEU   6          2HB       LEU   6 -12.828  -4.435  -0.751
   43   2HB   LEU   6          1HB       LEU   6 -12.835  -4.673  -2.486
   44    HG   LEU   6           HG       LEU   6 -11.567  -6.597  -0.533
   45   1HD1  LEU   6          1HD1      LEU   6 -13.941  -6.521  -0.120
   46   2HD1  LEU   6          2HD1      LEU   6 -13.537  -8.010  -0.974
   47   3HD1  LEU   6          3HD1      LEU   6 -14.279  -6.667  -1.844
   48   1HD2  LEU   6          1HD2      LEU   6 -11.041  -7.903  -2.306
   49   2HD2  LEU   6          2HD2      LEU   6 -11.023  -6.353  -3.148
   50   3HD2  LEU   6          3HD2      LEU   6 -12.446  -7.392  -3.241
   51    H    GLU   7           H        GLU   7 -10.427  -2.671   0.320
   52    HA   GLU   7           HA       GLU   7 -11.921  -0.376  -0.451
   53   1HB   GLU   7          2HB       GLU   7 -11.359  -1.121   1.920
   54   2HB   GLU   7          1HB       GLU   7  -9.753  -0.457   1.642
   55   1HG   GLU   7          2HG       GLU   7 -10.599   1.424   2.480
   56   2HG   GLU   7          1HG       GLU   7 -11.345   1.620   0.894
   57    HA   PRO   8           HA       PRO   8  -8.533   1.257  -2.918
   58   1HB   PRO   8          2HB       PRO   8  -9.963   2.949  -4.400
   59   2HB   PRO   8          1HB       PRO   8 -10.098   1.201  -4.636
   60   1HG   PRO   8          2HG       PRO   8 -11.940   3.069  -3.209
   61   2HG   PRO   8          1HG       PRO   8 -12.329   1.690  -4.252
   62   1HD   PRO   8          2HD       PRO   8 -12.304   1.651  -1.469
   63   2HD   PRO   8          1HD       PRO   8 -12.222   0.222  -2.518
   64    HA   PRO   9           HA       PRO   9  -7.779   5.061  -0.748
   65   1HB   PRO   9          2HB       PRO   9  -5.652   5.962  -2.060
   66   2HB   PRO   9          1HB       PRO   9  -5.579   4.423  -1.188
   67   1HG   PRO   9          2HG       PRO   9  -5.931   4.919  -4.120
   68   2HG   PRO   9          1HG       PRO   9  -4.933   3.705  -3.309
   69   1HD   PRO   9          2HD       PRO   9  -7.445   3.232  -4.363
   70   2HD   PRO   9          1HD       PRO   9  -6.652   2.241  -3.117
   71    H    TYR  10           H        TYR  10  -7.361   7.472  -1.265
   72    HA   TYR  10           HA       TYR  10  -8.486   8.405  -3.754
   73   1HB   TYR  10          2HB       TYR  10 -10.372   9.545  -2.792
   74   2HB   TYR  10          1HB       TYR  10 -10.443   7.852  -2.320
   75    HD1  TYR  10           1HD      TYR  10  -8.918   7.499  -0.007
   76    HD2  TYR  10           2HD      TYR  10 -11.116  10.963  -1.137
   77    HE1  TYR  10           1HE      TYR  10  -9.082   8.158   2.354
   78    HE2  TYR  10           2HE      TYR  10 -11.286  11.631   1.224
   79    HH   TYR  10           HH       TYR  10  -9.459  10.701   3.537
   80    H    ALA  11           H        ALA  11  -8.163  10.599  -4.145
   81    HA   ALA  11           HA       ALA  11  -6.379  11.955  -2.237
   82   1HB   ALA  11          1HB       ALA  11  -5.659  13.174  -4.463
   83   2HB   ALA  11          2HB       ALA  11  -6.243  11.681  -5.196
   84   3HB   ALA  11          3HB       ALA  11  -4.951  11.627  -3.998
   85    H    GLY  12           H        GLY  12  -7.565  13.454  -1.222
   86   1HA   GLY  12          2HA       GLY  12  -9.035  15.368  -2.892
   87   2HA   GLY  12          1HA       GLY  12  -9.922  14.540  -1.625
   88    H    ALA  13           H        ALA  13 -10.096  15.614   0.218
   89    HA   ALA  13           HA       ALA  13  -8.738  18.022   0.622
   90   1HB   ALA  13          1HB       ALA  13 -10.392  16.693   2.716
   91   2HB   ALA  13          2HB       ALA  13 -11.130  17.419   1.288
   92   3HB   ALA  13          3HB       ALA  13 -10.183  18.415   2.393
   93    H    CYS  14           H        CYS  14  -6.550  17.199   0.665
   94    HA   CYS  14           HA       CYS  14  -5.590  16.847   3.349
   95   1HB   CYS  14          2HB       CYS  14  -5.202  14.636   1.346
   96   2HB   CYS  14          1HB       CYS  14  -4.272  14.819   2.825
   97    H    ARG  15           H        ARG  15  -3.061  16.423   3.149
   98    HA   ARG  15           HA       ARG  15  -1.893  17.634   0.799
   99   1HB   ARG  15          2HB       ARG  15  -2.688  19.578   2.132
  100   2HB   ARG  15          1HB       ARG  15  -1.645  19.060   3.449
  101   1HG   ARG  15          2HG       ARG  15   0.206  19.172   1.583
  102   2HG   ARG  15          1HG       ARG  15  -0.940  20.285   0.837
  103   1HD   ARG  15          2HD       ARG  15  -0.847  21.062   3.504
  104   2HD   ARG  15          1HD       ARG  15   0.826  20.683   3.095
  105    HE   ARG  15           HE       ARG  15  -0.528  22.346   1.169
  106   1HH1  ARG  15          1HH1      ARG  15   1.397  22.285   4.080
  107   2HH1  ARG  15          2HH1      ARG  15   2.000  23.894   3.864
  108   1HH2  ARG  15          1HH2      ARG  15   0.262  24.462   0.883
  109   2HH2  ARG  15          2HH2      ARG  15   1.355  25.131   2.049
  110    H    ALA  16           H        ALA  16  -0.412  16.094   0.482
  111    HA   ALA  16           HA       ALA  16   1.468  14.848   0.749
  112   1HB   ALA  16          1HB       ALA  16   2.921  15.695   2.824
  113   2HB   ALA  16          2HB       ALA  16   1.876  17.101   2.619
  114   3HB   ALA  16          3HB       ALA  16   2.875  16.541   1.279
  115    H    ALA  17           H        ALA  17   1.733  12.869   1.548
  116    HA   ALA  17           HA       ALA  17   1.383  12.243   4.267
  117   1HB   ALA  17          1HB       ALA  17  -0.488  10.779   4.153
  118   2HB   ALA  17          2HB       ALA  17  -0.568  10.933   2.398
  119   3HB   ALA  17          3HB       ALA  17  -0.979  12.306   3.424
  120    H    ALA  18           H        ALA  18   3.552  12.040   2.719
  121    HA   ALA  18           HA       ALA  18   3.900   9.523   1.460
  122   1HB   ALA  18          1HB       ALA  18   6.149  10.117   1.196
  123   2HB   ALA  18          2HB       ALA  18   6.134  11.156   2.621
  124   3HB   ALA  18          3HB       ALA  18   5.283  11.652   1.158
  125    H    ALA  19           H        ALA  19   6.080   8.333   2.359
  126    HA   ALA  19           HA       ALA  19   6.945   6.900   3.898
  127   1HB   ALA  19          1HB       ALA  19   6.938   9.006   5.321
  128   2HB   ALA  19          2HB       ALA  19   6.962   7.466   6.181
  129   3HB   ALA  19          3HB       ALA  19   5.460   8.381   6.051
  130    H    ARG  20           H        ARG  20   4.068   6.762   2.765
  131    HA   ARG  20           HA       ARG  20   3.336   4.413   4.331
  132   1HB   ARG  20          2HB       ARG  20   1.521   6.750   3.805
  133   2HB   ARG  20          1HB       ARG  20   0.890   5.138   4.125
  134   1HG   ARG  20          2HG       ARG  20   1.413   5.216   6.316
  135   2HG   ARG  20          1HG       ARG  20   2.874   6.167   6.051
  136   1HD   ARG  20          2HD       ARG  20   1.636   7.804   6.996
  137   2HD   ARG  20          1HD       ARG  20   1.023   7.980   5.353
  138    HE   ARG  20           HE       ARG  20  -0.659   6.167   6.411
  139   1HH1  ARG  20          1HH1      ARG  20   0.435   9.289   7.528
  140   2HH1  ARG  20          2HH1      ARG  20  -1.026   9.629   8.394
  141   1HH2  ARG  20          1HH2      ARG  20  -2.577   6.611   7.552
  142   2HH2  ARG  20          2HH2      ARG  20  -2.736   8.108   8.410
  143    H    TYR  21           H        TYR  21   1.566   3.176   3.241
  144    HA   TYR  21           HA       TYR  21   1.569   3.501   0.334
  145   1HB   TYR  21          2HB       TYR  21   2.398   1.018   1.831
  146   2HB   TYR  21          1HB       TYR  21   1.926   0.999   0.136
  147    HD1  TYR  21           1HD      TYR  21   3.479   1.526  -1.541
  148    HD2  TYR  21           2HD      TYR  21   4.397   2.435   2.510
  149    HE1  TYR  21           1HE      TYR  21   5.791   2.042  -2.188
  150    HE2  TYR  21           2HE      TYR  21   6.713   2.959   1.873
  151    HH   TYR  21           HH       TYR  21   7.692   3.225  -1.432
  152    H    PHE  22           H        PHE  22  -0.007   1.983  -0.714
  153    HA   PHE  22           HA       PHE  22  -2.157   1.025   0.989
  154   1HB   PHE  22          2HB       PHE  22  -3.881   2.202  -0.378
  155   2HB   PHE  22          1HB       PHE  22  -2.938   3.247   0.661
  156    HD1  PHE  22           1HD      PHE  22  -3.136   1.994  -2.818
  157    HD2  PHE  22           2HD      PHE  22  -1.907   5.139  -0.242
  158    HE1  PHE  22           1HE      PHE  22  -2.595   3.379  -4.775
  159    HE2  PHE  22           2HE      PHE  22  -1.367   6.530  -2.193
  160    HZ   PHE  22           HZ       PHE  22  -1.710   5.653  -4.464
  161    H    TYR  23           H        TYR  23  -3.443  -0.497   0.024
  162    HA   TYR  23           HA       TYR  23  -2.233  -1.787  -2.286
  163   1HB   TYR  23          2HB       TYR  23  -2.883  -3.236  -0.490
  164   2HB   TYR  23          1HB       TYR  23  -4.536  -2.610  -0.505
  165    HD1  TYR  23           1HD      TYR  23  -6.148  -3.487  -2.001
  166    HD2  TYR  23           2HD      TYR  23  -2.068  -4.610  -2.405
  167    HE1  TYR  23           1HE      TYR  23  -6.799  -5.242  -3.595
  168    HE2  TYR  23           2HE      TYR  23  -2.704  -6.369  -4.002
  169    HH   TYR  23           HH       TYR  23  -4.716  -7.719  -4.551
  170    H    ASN  24           H        ASN  24  -2.983  -1.786  -4.289
  171    HA   ASN  24           HA       ASN  24  -5.432  -0.270  -4.870
  172   1HB   ASN  24          2HB       ASN  24  -3.399   0.576  -5.929
  173   2HB   ASN  24          1HB       ASN  24  -3.085  -1.006  -6.641
  174   1HD2  ASN  24          1HD2      ASN  24  -3.473   1.622  -7.857
  175   2HD2  ASN  24          2HD2      ASN  24  -4.766   1.414  -8.991
  176    H    ALA  25           H        ALA  25  -7.068  -1.755  -4.718
  177    HA   ALA  25           HA       ALA  25  -7.009  -4.437  -5.399
  178   1HB   ALA  25          1HB       ALA  25  -8.931  -3.984  -4.277
  179   2HB   ALA  25          2HB       ALA  25  -9.582  -3.889  -5.914
  180   3HB   ALA  25          3HB       ALA  25  -9.141  -2.414  -5.055
  181    H    LYS  26           H        LYS  26  -7.457  -1.639  -7.459
  182    HA   LYS  26           HA       LYS  26  -8.191  -3.214  -9.769
  183   1HB   LYS  26          2HB       LYS  26  -7.940  -0.336  -9.125
  184   2HB   LYS  26          1HB       LYS  26  -7.648  -0.780 -10.800
  185   1HG   LYS  26          2HG       LYS  26  -9.872  -2.043 -10.654
  186   2HG   LYS  26          1HG       LYS  26 -10.146  -1.106  -9.184
  187   1HD   LYS  26          2HD       LYS  26 -10.137   0.932 -10.348
  188   2HD   LYS  26          1HD       LYS  26  -9.388   0.211 -11.773
  189   1HE   LYS  26          2HE       LYS  26 -11.769  -1.208 -11.359
  190   2HE   LYS  26          1HE       LYS  26 -12.175   0.491 -11.115
  191   1HZ   LYS  26          1HZ       LYS  26 -10.566  -0.257 -13.452
  192   2HZ   LYS  26          2HZ       LYS  26 -11.663   1.016 -13.265
  193   3HZ   LYS  26          3HZ       LYS  26 -12.229  -0.563 -13.482
  194    H    ALA  27           H        ALA  27  -5.315  -2.914  -8.253
  195    HA   ALA  27           HA       ALA  27  -3.852  -3.271 -10.777
  196   1HB   ALA  27          1HB       ALA  27  -1.969  -1.940  -9.895
  197   2HB   ALA  27          2HB       ALA  27  -2.970  -1.490  -8.517
  198   3HB   ALA  27          3HB       ALA  27  -3.435  -0.991 -10.142
  199    H    GLY  28           H        GLY  28  -4.587  -4.532  -7.782
  200   1HA   GLY  28          2HA       GLY  28  -3.858  -6.388  -6.690
  201   2HA   GLY  28          1HA       GLY  28  -2.850  -6.686  -8.081
  202    H    LEU  29           H        LEU  29  -1.822  -3.758  -7.202
  203    HA   LEU  29           HA       LEU  29   0.041  -4.797  -5.175
  204   1HB   LEU  29          2HB       LEU  29   0.600  -3.450  -7.762
  205   2HB   LEU  29          1HB       LEU  29   1.624  -3.031  -6.401
  206    HG   LEU  29           HG       LEU  29   1.870  -5.634  -6.159
  207   1HD1  LEU  29          1HD1      LEU  29   1.458  -5.483  -9.123
  208   2HD1  LEU  29          2HD1      LEU  29   0.143  -5.926  -8.034
  209   3HD1  LEU  29          3HD1      LEU  29   1.608  -6.906  -8.092
  210   1HD2  LEU  29          1HD2      LEU  29   3.291  -4.350  -8.467
  211   2HD2  LEU  29          2HD2      LEU  29   3.911  -5.501  -7.282
  212   3HD2  LEU  29          3HD2      LEU  29   3.580  -3.836  -6.804
  213    H    CYS  30           H        CYS  30   1.302  -2.909  -4.119
  214    HA   CYS  30           HA       CYS  30  -0.698  -0.939  -3.324
  215   1HB   CYS  30          2HB       CYS  30   1.942  -1.077  -1.955
  216   2HB   CYS  30          1HB       CYS  30   0.347  -0.752  -1.292
  217    H    GLN  31           H        GLN  31   0.175   1.261  -2.730
  218    HA   GLN  31           HA       GLN  31   2.341   2.181  -4.435
  219   1HB   GLN  31          2HB       GLN  31  -0.100   2.258  -5.525
  220   2HB   GLN  31          1HB       GLN  31  -0.149   3.775  -4.639
  221   1HG   GLN  31          2HG       GLN  31   1.904   4.489  -5.775
  222   2HG   GLN  31          1HG       GLN  31   1.896   2.985  -6.697
  223   1HE2  GLN  31          1HE2      GLN  31  -0.034   5.859  -5.996
  224   2HE2  GLN  31          2HE2      GLN  31  -0.810   5.932  -7.538
  225    H    THR  32           H        THR  32   3.140   4.260  -3.908
  226    HA   THR  32           HA       THR  32   2.902   4.957  -1.149
  227    HB   THR  32           HB       THR  32   4.296   6.933  -2.676
  228    HG1  THR  32           1HG      THR  32   5.066   4.274  -3.272
  229   1HG2  THR  32          1HG2      THR  32   6.192   6.261  -1.452
  230   2HG2  THR  32          2HG2      THR  32   5.469   4.694  -1.087
  231   3HG2  THR  32          3HG2      THR  32   4.802   6.163  -0.373
  232    H    PHE  33           H        PHE  33   1.813   6.589  -0.216
  233    HA   PHE  33           HA       PHE  33  -0.285   7.888  -1.579
  234   1HB   PHE  33          2HB       PHE  33   1.055   8.410   1.075
  235   2HB   PHE  33          1HB       PHE  33  -0.266   9.413   0.490
  236    HD1  PHE  33           1HD      PHE  33  -2.521   8.448   0.197
  237    HD2  PHE  33           2HD      PHE  33   0.672   6.227   1.927
  238    HE1  PHE  33           1HE      PHE  33  -4.138   6.841   1.112
  239    HE2  PHE  33           2HE      PHE  33  -0.942   4.615   2.843
  240    HZ   PHE  33           HZ       PHE  33  -3.351   4.920   2.437
  241    H    ALA  34           H        ALA  34  -0.459  10.358  -1.700
  242    HA   ALA  34           HA       ALA  34   1.931  11.875  -1.915
  243   1HB   ALA  34          1HB       ALA  34   2.181  12.060  -4.258
  244   2HB   ALA  34          2HB       ALA  34   0.672  11.198  -4.558
  245   3HB   ALA  34          3HB       ALA  34   2.066  10.335  -3.899
  246    H    TYR  35           H        TYR  35   0.917  13.568  -4.098
  247    HA   TYR  35           HA       TYR  35  -0.278  15.594  -2.817
  248   1HB   TYR  35          2HB       TYR  35   0.466  15.580  -5.211
  249   2HB   TYR  35          1HB       TYR  35  -1.065  14.819  -5.630
  250    HD1  TYR  35           1HD      TYR  35   0.624  17.900  -5.167
  251    HD2  TYR  35           2HD      TYR  35  -3.214  16.083  -4.902
  252    HE1  TYR  35           1HE      TYR  35  -0.429  20.119  -5.296
  253    HE2  TYR  35           2HE      TYR  35  -4.278  18.296  -5.036
  254    HH   TYR  35           HH       TYR  35  -2.531  21.130  -5.871
  255    H    GLY  36           H        GLY  36  -2.073  15.920  -1.733
  256   1HA   GLY  36          2HA       GLY  36  -4.148  15.745  -0.893
  257   2HA   GLY  36          1HA       GLY  36  -4.606  15.524  -2.552
  258    H    ALA  37           H        ALA  37  -2.680  12.927  -1.949
  259    HA   ALA  37           HA       ALA  37  -4.870  11.139  -1.834
  260   1HB   ALA  37          1HB       ALA  37  -2.244  10.917  -2.555
  261   2HB   ALA  37          2HB       ALA  37  -3.365   9.569  -2.362
  262   3HB   ALA  37          3HB       ALA  37  -2.291  10.020  -1.038
  263    H    CYS  38           H        CYS  38  -6.125  11.031  -0.098
  264    HA   CYS  38           HA       CYS  38  -5.070  11.416   2.560
  265   1HB   CYS  38          2HB       CYS  38  -7.858  10.687   1.648
  266   2HB   CYS  38          1HB       CYS  38  -7.402  11.150   3.284
  267    H    ALA  39           H        ALA  39  -4.989   9.927   4.206
  268    HA   ALA  39           HA       ALA  39  -4.425   7.239   3.453
  269   1HB   ALA  39          1HB       ALA  39  -4.418   6.998   6.066
  270   2HB   ALA  39          2HB       ALA  39  -4.455   8.762   6.014
  271   3HB   ALA  39          3HB       ALA  39  -3.137   7.884   5.238
  272    H    ALA  40           H        ALA  40  -5.605   5.403   3.690
  273    HA   ALA  40           HA       ALA  40  -8.459   5.735   4.122
  274   1HB   ALA  40          1HB       ALA  40  -8.720   3.952   2.788
  275   2HB   ALA  40          2HB       ALA  40  -7.475   3.023   3.624
  276   3HB   ALA  40          3HB       ALA  40  -7.020   4.194   2.386
  277    H    LYS  41           H        LYS  41  -9.627   4.077   5.440
  278    HA   LYS  41           HA       LYS  41  -8.721   4.111   8.097
  279   1HB   LYS  41          2HB       LYS  41 -11.034   3.108   6.647
  280   2HB   LYS  41          1HB       LYS  41 -10.570   2.025   7.952
  281   1HG   LYS  41          2HG       LYS  41 -10.879   3.680   9.584
  282   2HG   LYS  41          1HG       LYS  41 -10.907   4.974   8.384
  283   1HD   LYS  41          2HD       LYS  41 -12.967   3.187   7.679
  284   2HD   LYS  41          1HD       LYS  41 -13.080   3.413   9.425
  285   1HE   LYS  41          2HE       LYS  41 -12.834   5.710   7.498
  286   2HE   LYS  41          1HE       LYS  41 -14.389   5.037   7.984
  287   1HZ   LYS  41          1HZ       LYS  41 -13.759   5.503  10.311
  288   2HZ   LYS  41          2HZ       LYS  41 -13.880   6.901   9.366
  289   3HZ   LYS  41          3HZ       LYS  41 -12.358   6.275   9.758
  290    H    ARG  42           H        ARG  42  -9.351   1.144   6.227
  291    HA   ARG  42           HA       ARG  42  -7.399  -0.280   7.811
  292   1HB   ARG  42          2HB       ARG  42  -9.115  -1.273   5.533
  293   2HB   ARG  42          1HB       ARG  42  -8.187  -2.269   6.645
  294   1HG   ARG  42          2HG       ARG  42 -10.095  -0.440   7.921
  295   2HG   ARG  42          1HG       ARG  42 -10.815  -1.704   6.922
  296   1HD   ARG  42          2HD       ARG  42 -10.635  -2.551   9.146
  297   2HD   ARG  42          1HD       ARG  42  -9.422  -3.368   8.161
  298    HE   ARG  42           HE       ARG  42  -8.384  -1.054   9.479
  299   1HH1  ARG  42          1HH1      ARG  42  -9.162  -4.430   9.907
  300   2HH1  ARG  42          2HH1      ARG  42  -8.013  -4.660  11.183
  301   1HH2  ARG  42          1HH2      ARG  42  -6.874  -1.357  11.156
  302   2HH2  ARG  42          2HH2      ARG  42  -6.717  -2.917  11.893
  303    H    ASN  43           H        ASN  43  -7.823   0.772   4.468
  304    HA   ASN  43           HA       ASN  43  -5.493  -0.529   3.491
  305   1HB   ASN  43          2HB       ASN  43  -7.731   0.721   2.407
  306   2HB   ASN  43          1HB       ASN  43  -6.402   1.787   1.960
  307   1HD2  ASN  43          1HD2      ASN  43  -7.352  -1.543   2.087
  308   2HD2  ASN  43          2HD2      ASN  43  -6.570  -2.050   0.618
  309    H    ASN  44           H        ASN  44  -4.171   0.349   5.343
  310    HA   ASN  44           HA       ASN  44  -2.606   2.581   4.379
  311   1HB   ASN  44          2HB       ASN  44  -4.298   3.762   5.659
  312   2HB   ASN  44          1HB       ASN  44  -4.017   2.718   7.048
  313   1HD2  ASN  44          1HD2      ASN  44  -2.738   3.490   8.557
  314   2HD2  ASN  44          2HD2      ASN  44  -1.547   4.724   8.350
  315    H    PHE  45           H        PHE  45  -0.873   1.138   4.238
  316    HA   PHE  45           HA       PHE  45   0.023  -0.077   6.756
  317   1HB   PHE  45          2HB       PHE  45   0.812  -0.702   3.899
  318   2HB   PHE  45          1HB       PHE  45   1.360  -1.565   5.338
  319    HD1  PHE  45           1HD      PHE  45  -1.428  -0.988   3.056
  320    HD2  PHE  45           2HD      PHE  45  -0.139  -3.033   6.562
  321    HE1  PHE  45           1HE      PHE  45  -3.411  -2.443   2.931
  322    HE2  PHE  45           2HE      PHE  45  -2.116  -4.493   6.442
  323    HZ   PHE  45           HZ       PHE  45  -3.757  -4.201   4.624
  324    H    LYS  46           H        LYS  46   1.905   0.512   7.669
  325    HA   LYS  46           HA       LYS  46   3.108   2.950   7.008
  326   1HB   LYS  46          2HB       LYS  46   3.471   0.859   9.004
  327   2HB   LYS  46          1HB       LYS  46   4.989   1.619   8.546
  328   1HG   LYS  46          2HG       LYS  46   4.468   3.566   9.539
  329   2HG   LYS  46          1HG       LYS  46   2.769   3.471   9.073
  330   1HD   LYS  46          2HD       LYS  46   3.568   1.441  11.021
  331   2HD   LYS  46          1HD       LYS  46   3.752   3.096  11.606
  332   1HE   LYS  46          2HE       LYS  46   1.572   2.564  12.206
  333   2HE   LYS  46          1HE       LYS  46   1.367   3.448  10.693
  334   1HZ   LYS  46          1HZ       LYS  46   0.064   1.655  10.274
  335   2HZ   LYS  46          2HZ       LYS  46   0.960   0.609  11.256
  336   3HZ   LYS  46          3HZ       LYS  46   1.533   1.024   9.720
  337    H    SER  47           H        SER  47   3.585  -0.109   5.597
  338    HA   SER  47           HA       SER  47   5.743   0.940   3.992
  339   1HB   SER  47          2HB       SER  47   6.788  -1.554   4.619
  340   2HB   SER  47          1HB       SER  47   7.382   0.000   5.209
  341    HG   SER  47           HG       SER  47   6.197  -1.989   6.574
  342    H    ALA  48           H        ALA  48   6.093  -0.233   2.064
  343    HA   ALA  48           HA       ALA  48   3.814  -1.440   0.970
  344   1HB   ALA  48          1HB       ALA  48   5.010  -0.937  -0.852
  345   2HB   ALA  48          2HB       ALA  48   5.963  -2.389  -0.544
  346   3HB   ALA  48          3HB       ALA  48   6.502  -0.832   0.082
  347    H    GLU  49           H        GLU  49   6.693  -2.785   2.482
  348    HA   GLU  49           HA       GLU  49   6.185  -5.496   1.929
  349   1HB   GLU  49          2HB       GLU  49   8.126  -4.057   3.330
  350   2HB   GLU  49          1HB       GLU  49   7.351  -5.039   4.566
  351   1HG   GLU  49          2HG       GLU  49   7.696  -6.973   2.869
  352   2HG   GLU  49          1HG       GLU  49   8.899  -5.894   2.166
  353    H    ASP  50           H        ASP  50   5.093  -3.259   4.394
  354    HA   ASP  50           HA       ASP  50   3.704  -5.146   5.993
  355   1HB   ASP  50          2HB       ASP  50   4.037  -2.249   5.899
  356   2HB   ASP  50          1HB       ASP  50   2.401  -2.719   6.355
  357    H    CYS  51           H        CYS  51   2.725  -3.026   3.287
  358    HA   CYS  51           HA       CYS  51  -0.028  -3.667   3.368
  359   1HB   CYS  51          2HB       CYS  51   0.586  -1.749   2.120
  360   2HB   CYS  51          1HB       CYS  51   1.816  -2.629   1.214
  361    H    LEU  52           H        LEU  52   2.504  -4.815   1.156
  362    HA   LEU  52           HA       LEU  52   1.081  -6.792  -0.136
  363   1HB   LEU  52          2HB       LEU  52   3.994  -6.528   0.556
  364   2HB   LEU  52          1HB       LEU  52   3.392  -7.889  -0.375
  365    HG   LEU  52           HG       LEU  52   3.298  -4.977  -1.150
  366   1HD1  LEU  52          1HD1      LEU  52   4.521  -6.179  -3.172
  367   2HD1  LEU  52          2HD1      LEU  52   4.955  -7.320  -1.899
  368   3HD1  LEU  52          3HD1      LEU  52   5.398  -5.619  -1.748
  369   1HD2  LEU  52          1HD2      LEU  52   1.427  -5.528  -2.257
  370   2HD2  LEU  52          2HD2      LEU  52   1.700  -7.258  -2.053
  371   3HD2  LEU  52          3HD2      LEU  52   2.511  -6.384  -3.353
  372    H    ARG  53           H        ARG  53   2.889  -7.014   2.912
  373    HA   ARG  53           HA       ARG  53   2.680  -9.774   3.288
  374   1HB   ARG  53          2HB       ARG  53   3.161  -7.429   5.044
  375   2HB   ARG  53          1HB       ARG  53   2.659  -8.917   5.834
  376   1HG   ARG  53          2HG       ARG  53   4.903  -8.963   3.865
  377   2HG   ARG  53          1HG       ARG  53   5.179  -8.412   5.519
  378   1HD   ARG  53          2HD       ARG  53   4.756 -10.479   6.426
  379   2HD   ARG  53          1HD       ARG  53   3.728 -10.974   5.082
  380    HE   ARG  53           HE       ARG  53   6.524 -10.627   4.429
  381   1HH1  ARG  53          1HH1      ARG  53   4.034 -12.850   5.459
  382   2HH1  ARG  53          2HH1      ARG  53   4.893 -14.253   4.921
  383   1HH2  ARG  53          1HH2      ARG  53   7.652 -12.474   3.723
  384   2HH2  ARG  53          2HH2      ARG  53   6.947 -14.042   3.938
  385    H    THR  54           H        THR  54   0.577  -7.182   4.524
  386    HA   THR  54           HA       THR  54  -1.329  -9.056   5.583
  387    HB   THR  54           HB       THR  54  -1.848  -6.127   5.178
  388    HG1  THR  54           1HG      THR  54  -0.356  -7.226   7.321
  389   1HG2  THR  54          1HG2      THR  54  -2.800  -8.226   7.051
  390   2HG2  THR  54          2HG2      THR  54  -3.698  -6.957   6.217
  391   3HG2  THR  54          3HG2      THR  54  -2.701  -6.558   7.617
  392    H    CYS  55           H        CYS  55  -1.568  -6.494   3.128
  393    HA   CYS  55           HA       CYS  55  -4.050  -7.395   2.130
  394   1HB   CYS  55          2HB       CYS  55  -2.508  -5.103   1.851
  395   2HB   CYS  55          1HB       CYS  55  -2.506  -5.811   0.236
  396    H    GLY  56           H        GLY  56  -0.734  -7.673   0.863
  397   1HA   GLY  56          2HA       GLY  56   0.107  -8.942  -0.873
  398   2HA   GLY  56          1HA       GLY  56  -0.895 -10.204  -0.165
  399    H    GLY  57           H        GLY  57  -0.888 -10.880  -2.507
  400   1HA   GLY  57          2HA       GLY  57  -3.406 -10.292  -3.654
  401   2HA   GLY  57          1HA       GLY  57  -2.148  -9.426  -4.527
  402    H    ALA  58           H        ALA  58  -3.382 -11.003  -6.115
  403    HA   ALA  58           HA       ALA  58  -3.082 -12.668  -7.636
  404   1HB   ALA  58          1HB       ALA  58  -0.562 -12.051  -6.961
  405   2HB   ALA  58          2HB       ALA  58  -0.971 -13.339  -8.096
  406   3HB   ALA  58          3HB       ALA  58  -0.610 -13.728  -6.414