*HEADER    IMMUNE SYSTEM                           25-JUL-03   1Q2N              
*TITLE     REFINED SOLUTION NMR STRUCTURE OF THE Z DOMAIN OF                     
*TITLE    2 STAPHYLOCOCCAL PROTEIN A                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN A;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 212-269;                                          
*COMPND   5 SYNONYM: IGG BINDING PROTEIN A;                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 CELLULAR_LOCATION: CELL WALL;                                        
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: RV308;                                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PDHZ                                      
*KEYWDS    IMMUNOGLOBULIN-BINDING PROTEIN, THREE-HELICAL BUNDLE                  
*KEYWDS   2 STRUCTURE, RESIDUAL DIPOLAR COUPLINGS, IMMUNE SYSTEM                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.Y.ZHENG, M.TASHIRO, J.ARAMINI, G.T.MONTELIONE                       
*REVDAT   1   12-AUG-03 1Q2N    0                                                
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       (resid 47 and name  C) (resid 48 and name  N) 5.0 -54.00 126.00 2

assign (resid 47 and name  C) (resid 48 and name  N)
       (resid 48 and name CA) (resid 48 and name  C) 5.0 -65.00 25.00 2

assign (resid 48 and name  N) (resid 48 and name CA)
       (resid 48 and name  C) (resid 49 and name  N) 5.0 -60.00 120.00 2

assign (resid 48 and name  C) (resid 49 and name  N)
       (resid 49 and name CA) (resid 49 and name  C) 5.0 -65.00 25.00 2

assign (resid 49 and name  N) (resid 49 and name CA)
       (resid 49 and name  C) (resid 50 and name  N) 5.0 -30.00 90.00 2

assign (resid 49 and name  N) (resid 49 and name CA)
       (resid 49 and name CB) (resid 49 and name CG) 5.0 180.00 30.00 2

assign (resid 49 and name  C) (resid 50 and name  N)
       (resid 50 and name CA) (resid 50 and name  C) 5.0 -65.00 25.00 2

assign (resid 50 and name  N) (resid 50 and name CA)
       (resid 50 and name  C) (resid 51 and name  N) 5.0 6.00 114.00 2

assign (resid 50 and name  C) (resid 51 and name  N)
       (resid 51 and name CA) (resid 51 and name  C) 5.0 -65.00 25.00 2

assign (resid 51 and name  N) (resid 51 and name CA)
       (resid 51 and name  C) (resid 52 and name  N) 5.0 -24.00 96.00 2

assign (resid 51 and name  C) (resid 52 and name  N)
       (resid 52 and name CA) (resid 52 and name  C) 5.0 -65.00 25.00 2

assign (resid 52 and name  N) (resid 52 and name CA)
       (resid 52 and name  C) (resid 53 and name  N) 5.0 -66.00 54.00 2

assign (resid 52 and name  N) (resid 52 and name CA)
       (resid 52 and name CB) (resid 52 and name CG) 5.0 180.00 30.00 2

assign (resid 52 and name  C) (resid 53 and name  N)
       (resid 53 and name CA) (resid 53 and name  C) 5.0 -65.00 25.00 2

assign (resid 53 and name  N) (resid 53 and name CA)
       (resid 53 and name  C) (resid 54 and name  N) 5.0 6.00 126.00 2

assign (resid 53 and name  C) (resid 54 and name  N)
       (resid 54 and name CA) (resid 54 and name  C) 5.0 -65.00 25.00 2

assign (resid 54 and name  N) (resid 54 and name CA)
       (resid 54 and name  C) (resid 55 and name  N) 5.0 -24.00 96.00 2

assign (resid 54 and name  C) (resid 55 and name  N)
       (resid 55 and name CA) (resid 55 and name  C) 5.0 -110.00 40.00 2

assign (resid 55 and name  N) (resid 55 and name CA)
       (resid 55 and name  C) (resid 56 and name  N) 5.0 0.00 132.00 2

assign (resid 55 and name  C) (resid 56 and name  N)
       (resid 56 and name CA) (resid 56 and name  C) 5.0 -65.00 25.00 2

assign (resid 57 and name  C) (resid 58 and name  N)
       (resid 58 and name CA) (resid 58 and name  C) 5.0 -115.00 35.00 2

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )  -1.3000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )  -4.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )  -3.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )  -8.5000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )  0.9000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )  -24.2000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  6.7000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )  17.9000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )  -11.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  -23.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  -8.5000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )  -25.3000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  -10.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  )  -25.3000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )  -15.2000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )  -8.1000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  )  -29.9000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  -4.9000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )  0.6000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )  -15.9000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )  -20.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )  -20.2000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )  -14.5000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )  -21.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  )  -29.4000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name N   )
       ( resid  48  and name HN  )  -18.3000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )  -16.1000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )  -24.4000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )  -27.6000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )  -16.5000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )  -16.7000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )  -8.6000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )  4.3000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  9.7000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   1  and name C   )
       ( resid   1  and name CA  )  -3.0300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   2  and name C   )
       ( resid   2  and name CA  )  -6.0600  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   3  and name C   )
       ( resid   3  and name CA  )  6.0600  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   4  and name C   )
       ( resid   4  and name CA  )  -3.5350  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name C   )
       ( resid   5  and name CA  )  24.2400  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name C   )
       ( resid   6  and name CA  )  -27.7750  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name C   )
       ( resid   8  and name CA  )  14.1400  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name C   )
       ( resid   9  and name CA  )  3.5350  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name C   )
       ( resid  10  and name CA  )  -9.5950  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name C   )
       ( resid  11  and name CA  )  9.0900  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name C   )
       ( resid  12  and name CA  )  1.0100  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name C   )
       ( resid  13  and name CA  )  -8.0800  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name C   )
       ( resid  15  and name CA  )  13.1300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name C   )
       ( resid  16  and name CA  )  3.5350  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name C   )
       ( resid  17  and name CA  )  -30.3000  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name C   )
       ( resid  18  and name CA  )  -9.0900  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name C   )
       ( resid  20  and name CA  )  19.6950  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name C   )
       ( resid  21  and name CA  )  -3.5350  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name C   )
       ( resid  22  and name CA  )  17.6750  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name C   )
       ( resid  23  and name CA  )  -36.8650  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name C   )
       ( resid  25  and name CA  )  7.5750  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name C   )
       ( resid  27  and name CA  )  -28.7850  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name C   )
       ( resid  28  and name CA  )  -3.0300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name C   )
       ( resid  29  and name CA  )  8.0800  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name C   )
       ( resid  31  and name CA  )  -17.6750  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name C   )
       ( resid  32  and name CA  )  3.0300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  33  and name C   )
       ( resid  33  and name CA  )  5.5550  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name C   )
       ( resid  34  and name CA  )  -26.7650  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name C   )
       ( resid  35  and name CA  )  -10.6050  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name C   )
       ( resid  36  and name CA  )  2.0200  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name C   )
       ( resid  38  and name CA  )  5.0500  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name C   )
       ( resid  39  and name CA  )  -28.2800  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  40  and name C   )
       ( resid  40  and name CA  )  -13.1300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name C   )
       ( resid  41  and name CA  )  -15.6550  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name C   )
       ( resid  42  and name CA  )  6.0600  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name C   )
       ( resid  43  and name CA  )  -2.0200  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name C   )
       ( resid  44  and name CA  )  -8.5850  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name C   )
       ( resid  45  and name CA  )  -22.2200  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name C   )
       ( resid  46  and name CA  )  9.0900  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name C   )
       ( resid  47  and name CA  )  -3.0300  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name C   )
       ( resid  48  and name CA  )  -14.1400  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name C   )
       ( resid  49  and name CA  )  -12.6250  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name C   )
       ( resid  50  and name CA  )  5.0500  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name C   )
       ( resid  51  and name CA  )  -9.0900  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name C   )
       ( resid  52  and name CA  )  -28.7850  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name C   )
       ( resid  53  and name CA  )  7.5750  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name C   )
       ( resid  54  and name CA  )  9.5950  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name C   )
       ( resid  55  and name CA  )  -0.5050  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name C   )
       ( resid  57  and name CA  )  -5.0500  1.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   1  and name HA  )
       ( resid   1  and name CA  )  0.9120  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   2  and name HA  )
       ( resid   2  and name CA  )  2.2560  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   3  and name HA  )
       ( resid   3  and name CA  )  0.0000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name HA  )
       ( resid   5  and name CA  )  10.0320  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name HA  )
       ( resid   6  and name CA  )  2.2560  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name HA  )
       ( resid   8  and name CA  )  -16.6560  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name HA  )
       ( resid   9  and name CA  )  2.6400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name HA  )
       ( resid  10  and name CA  )  16.1280  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name HA  )
       ( resid  11  and name CA  )  3.5520  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name HA  )
       ( resid  12  and name CA  )  -25.1520  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name HA  )
       ( resid  16  and name CA  )  -15.0720  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name HA  )
       ( resid  17  and name CA  )  22.0800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name HA  )
       ( resid  18  and name CA  )  7.5360  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name HA  )
       ( resid  20  and name CA  )  -0.1920  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name HA  )
       ( resid  21  and name CA  )  -2.9760  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name HA  )
       ( resid  22  and name CA  )  18.3360  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name HA  )
       ( resid  23  and name CA  )  0.4800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name HA  )
       ( resid  27  and name CA  )  11.6160  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name HA  )
       ( resid  28  and name CA  )  14.4960  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name HA  )
       ( resid  29  and name CA  )  -19.3440  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name HA  )
       ( resid  30  and name CA  )  2.7360  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name HA  )
       ( resid  32  and name CA  )  -6.1920  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name HA  )
       ( resid  34  and name CA  )  7.9200  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name HA  )
       ( resid  35  and name CA  )  17.0400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name HA  )
       ( resid  36  and name CA  )  -19.2000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name HA  )
       ( resid  38  and name CA  )  -22.0800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  40  and name HA  )
       ( resid  40  and name CA  )  6.4800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name HA  )
       ( resid  41  and name CA  )  17.0400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name HA  )
       ( resid  42  and name CA  )  -2.6400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name HA  )
       ( resid  43  and name CA  )  -12.2400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name HA  )
       ( resid  44  and name CA  )  20.1600  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name HA  )
       ( resid  45  and name CA  )  5.0400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name HA  )
       ( resid  46  and name CA  )  -4.5600  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name HA  )
       ( resid  47  and name CA  )  -6.4800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name HA  )
       ( resid  48  and name CA  )  19.4400  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name HA  )
       ( resid  49  and name CA  )  4.8000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name HA  )
       ( resid  50  and name CA  )  -13.2000  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name HA  )
       ( resid  51  and name CA  )  6.4800  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name HA  )
       ( resid  52  and name CA  )  15.2160  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name HA  )
       ( resid  53  and name CA  )  1.9200  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name HA  )
       ( resid  54  and name CA  )  -14.1600  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name HA  )
       ( resid  55  and name CA  )  8.1600  1.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name HA  )
       ( resid  57  and name CA  )  18.7200  1.000


---------------
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          1HT       VAL   1   8.225  -0.903  11.847
    2   2H    VAL   1          2HT       VAL   1   9.679  -1.748  11.503
    3   3H    VAL   1          3HT       VAL   1   9.570  -0.758  12.901
    4    HA   VAL   1           HA       VAL   1   8.244  -2.189  14.004
    5    HB   VAL   1           HB       VAL   1   7.228  -4.195  12.784
    6   1HG1  VAL   1          1HG1      VAL   1   5.313  -2.774  11.934
    7   2HG1  VAL   1          2HG1      VAL   1   6.290  -1.368  12.357
    8   3HG1  VAL   1          3HG1      VAL   1   5.792  -2.505  13.610
    9   1HG2  VAL   1          1HG2      VAL   1   7.943  -2.444  10.438
   10   2HG2  VAL   1          2HG2      VAL   1   6.730  -3.721  10.367
   11   3HG2  VAL   1          3HG2      VAL   1   8.411  -4.121  10.715
   12    H    ASP   2           H        ASP   2   9.315  -3.633  15.185
   13    HA   ASP   2           HA       ASP   2  11.594  -4.983  13.991
   14   1HB   ASP   2          1HB       ASP   2  11.921  -3.514  15.988
   15   2HB   ASP   2          1HB       ASP   2  10.961  -4.658  16.921
   16    H    ASN   3           H        ASN   3   8.551  -5.627  15.537
   17    HA   ASN   3           HA       ASN   3   9.051  -8.518  15.242
   18   1HB   ASN   3          1HB       ASN   3   8.450  -7.086  17.626
   19   2HB   ASN   3          1HB       ASN   3   7.047  -8.073  17.228
   20   1HD2  ASN   3          1HD2      ASN   3   7.105 -10.186  17.644
   21   2HD2  ASN   3          2HD2      ASN   3   8.492 -11.050  18.204
   22    H    LYS   4           H        LYS   4   7.296  -5.978  14.056
   23    HA   LYS   4           HA       LYS   4   4.816  -7.481  13.784
   24   1HB   LYS   4          1HB       LYS   4   5.359  -4.737  12.673
   25   2HB   LYS   4          1HB       LYS   4   3.805  -5.482  13.005
   26   1HG   LYS   4          1HG       LYS   4   4.878  -5.538  15.467
   27   2HG   LYS   4          1HG       LYS   4   5.676  -4.106  14.814
   28   1HD   LYS   4          1HD       LYS   4   3.399  -3.291  14.115
   29   2HD   LYS   4          1HD       LYS   4   2.717  -4.625  15.047
   30   1HE   LYS   4          1HE       LYS   4   4.495  -2.441  16.130
   31   2HE   LYS   4          1HE       LYS   4   2.746  -2.539  16.332
   32   1HZ   LYS   4          1HZ       LYS   4   2.946  -4.420  17.690
   33   2HZ   LYS   4          2HZ       LYS   4   4.159  -3.373  18.233
   34   3HZ   LYS   4          3HZ       LYS   4   4.558  -4.691  17.250
   35    H    PHE   5           H        PHE   5   6.291  -5.398  11.328
   36    HA   PHE   5           HA       PHE   5   6.078  -7.634   9.426
   37   1HB   PHE   5          1HB       PHE   5   5.746  -4.673   8.938
   38   2HB   PHE   5          1HB       PHE   5   5.641  -5.927   7.705
   39    HD1  PHE   5           HD1      PHE   5   3.532  -3.820   8.618
   40    HD2  PHE   5           HD2      PHE   5   4.152  -7.932   9.523
   41    HE1  PHE   5           HE1      PHE   5   1.137  -4.072   9.099
   42    HE2  PHE   5           HE2      PHE   5   1.756  -8.191  10.003
   43    HZ   PHE   5           HZ       PHE   5   0.244  -6.260   9.792
   44    H    ASN   6           H        ASN   6   7.399  -6.625   7.289
   45    HA   ASN   6           HA       ASN   6  10.141  -6.256   8.304
   46   1HB   ASN   6          1HB       ASN   6   9.196  -8.328   6.772
   47   2HB   ASN   6          1HB       ASN   6   9.860  -7.246   5.552
   48   1HD2  ASN   6          1HD2      ASN   6  10.573  -9.815   7.372
   49   2HD2  ASN   6          2HD2      ASN   6  12.283  -9.624   7.531
   50    H    LYS   7           H        LYS   7  11.591  -5.357   6.415
   51    HA   LYS   7           HA       LYS   7  10.800  -2.695   5.993
   52   1HB   LYS   7          1HB       LYS   7  12.801  -2.600   4.475
   53   2HB   LYS   7          1HB       LYS   7  13.127  -3.191   6.099
   54   1HG   LYS   7          1HG       LYS   7  14.165  -4.899   5.136
   55   2HG   LYS   7          1HG       LYS   7  12.568  -5.489   4.673
   56   1HD   LYS   7          1HD       LYS   7  13.575  -5.445   2.620
   57   2HD   LYS   7          1HD       LYS   7  12.921  -3.806   2.665
   58   1HE   LYS   7          1HE       LYS   7  15.623  -4.219   3.808
   59   2HE   LYS   7          1HE       LYS   7  15.467  -4.335   2.056
   60   1HZ   LYS   7          1HZ       LYS   7  16.001  -2.081   2.810
   61   2HZ   LYS   7          2HZ       LYS   7  14.557  -2.028   3.690
   62   3HZ   LYS   7          3HZ       LYS   7  14.514  -2.138   2.003
   63    H    GLU   8           H        GLU   8  10.771  -5.512   3.852
   64    HA   GLU   8           HA       GLU   8  10.127  -4.238   1.458
   65   1HB   GLU   8          1HB       GLU   8   9.161  -6.416   0.771
   66   2HB   GLU   8          1HB       GLU   8  10.753  -6.572   1.499
   67   1HG   GLU   8          1HG       GLU   8   9.987  -7.751   3.250
   68   2HG   GLU   8          1HG       GLU   8   8.489  -6.827   3.355
   69    H    GLN   9           H        GLN   9   8.122  -5.068   4.192
   70    HA   GLN   9           HA       GLN   9   5.672  -4.451   2.811
   71   1HB   GLN   9          1HB       GLN   9   5.664  -6.236   4.455
   72   2HB   GLN   9          1HB       GLN   9   6.223  -5.126   5.700
   73   1HG   GLN   9          1HG       GLN   9   3.677  -4.551   4.265
   74   2HG   GLN   9          1HG       GLN   9   3.704  -5.771   5.534
   75   1HE2  GLN   9          1HE2      GLN   9   2.144  -3.584   5.782
   76   2HE2  GLN   9          2HE2      GLN   9   2.769  -2.549   7.009
   77    H    GLN  10           H        GLN  10   7.868  -2.905   5.061
   78    HA   GLN  10           HA       GLN  10   6.076  -0.726   5.606
   79   1HB   GLN  10          1HB       GLN  10   8.844  -1.464   6.440
   80   2HB   GLN  10          1HB       GLN  10   8.329   0.208   6.614
   81   1HG   GLN  10          1HG       GLN  10   6.236  -1.022   7.747
   82   2HG   GLN  10          1HG       GLN  10   7.498  -2.199   8.099
   83   1HE2  GLN  10          1HE2      GLN  10   5.987  -0.486   9.880
   84   2HE2  GLN  10          2HE2      GLN  10   7.148   0.459  10.733
   85    H    ASN  11           H        ASN  11   8.620  -1.426   3.318
   86    HA   ASN  11           HA       ASN  11   8.985   1.331   2.544
   87   1HB   ASN  11          1HB       ASN  11  10.706  -0.522   2.177
   88   2HB   ASN  11          1HB       ASN  11   9.643  -1.142   0.919
   89   1HD2  ASN  11          1HD2      ASN  11  12.312  -0.238   0.627
   90   2HD2  ASN  11          2HD2      ASN  11  12.281   1.106  -0.450
   91    H    ALA  12           H        ALA  12   7.120  -1.473   1.567
   92    HA   ALA  12           HA       ALA  12   5.896  -0.281  -0.702
   93   1HB   ALA  12          1HB       ALA  12   4.266  -2.135  -0.504
   94   2HB   ALA  12          2HB       ALA  12   4.999  -2.583   1.035
   95   3HB   ALA  12          3HB       ALA  12   5.937  -2.695  -0.454
   96    H    PHE  13           H        PHE  13   5.142  -0.529   2.724
   97    HA   PHE  13           HA       PHE  13   2.564   0.516   2.710
   98   1HB   PHE  13          1HB       PHE  13   3.855  -0.564   4.634
   99   2HB   PHE  13          1HB       PHE  13   4.560   1.031   4.893
  100    HD1  PHE  13           HD1      PHE  13   1.908  -1.108   5.691
  101    HD2  PHE  13           HD2      PHE  13   2.872   2.978   5.065
  102    HE1  PHE  13           HE1      PHE  13  -0.084  -0.454   6.980
  103    HE2  PHE  13           HE2      PHE  13   0.883   3.654   6.355
  104    HZ   PHE  13           HZ       PHE  13  -0.600   1.935   7.314
  105    H    TYR  14           H        TYR  14   5.661   2.157   3.145
  106    HA   TYR  14           HA       TYR  14   4.604   4.765   3.339
  107   1HB   TYR  14          1HB       TYR  14   7.296   3.620   2.709
  108   2HB   TYR  14          1HB       TYR  14   7.011   5.327   2.388
  109    HD1  TYR  14           HD1      TYR  14   8.086   3.013   4.789
  110    HD2  TYR  14           HD2      TYR  14   5.917   6.650   4.405
  111    HE1  TYR  14           HE1      TYR  14   8.532   3.519   7.154
  112    HE2  TYR  14           HE2      TYR  14   6.356   7.169   6.768
  113    HH   TYR  14           HH       TYR  14   8.391   6.345   8.486
  114    H    GLU  15           H        GLU  15   5.653   2.797   0.598
  115    HA   GLU  15           HA       GLU  15   5.479   4.726  -1.413
  116   1HB   GLU  15          1HB       GLU  15   5.692   1.864  -1.253
  117   2HB   GLU  15          1HB       GLU  15   4.510   2.285  -2.483
  118   1HG   GLU  15          1HG       GLU  15   6.959   3.871  -2.607
  119   2HG   GLU  15          1HG       GLU  15   7.206   2.143  -2.854
  120    H    ILE  16           H        ILE  16   3.031   2.701   0.080
  121    HA   ILE  16           HA       ILE  16   0.879   3.529  -1.583
  122    HB   ILE  16           HB       ILE  16   1.263   1.875   0.832
  123   1HG1  ILE  16          1HG1      ILE  16  -0.754   1.268  -1.265
  124   2HG1  ILE  16          1HG1      ILE  16   0.934   1.308  -1.764
  125   1HG2  ILE  16          1HG2      ILE  16  -0.472   3.036   1.833
  126   2HG2  ILE  16          2HG2      ILE  16  -1.329   1.735   1.007
  127   3HG2  ILE  16          3HG2      ILE  16  -1.286   3.350   0.300
  128   1HD1  ILE  16          1HD1      ILE  16  -0.345  -0.861  -0.764
  129   2HD1  ILE  16          2HD1      ILE  16   0.440  -0.219   0.679
  130   3HD1  ILE  16          3HD1      ILE  16   1.402  -0.622  -0.743
  131    H    LEU  17           H        LEU  17   2.145   4.465   1.566
  132    HA   LEU  17           HA       LEU  17   0.067   6.228   2.284
  133   1HB   LEU  17          1HB       LEU  17   2.837   5.704   3.182
  134   2HB   LEU  17          1HB       LEU  17   2.179   7.278   3.583
  135    HG   LEU  17           HG       LEU  17   1.027   4.602   4.370
  136   1HD1  LEU  17          1HD1      LEU  17   2.748   6.603   5.692
  137   2HD1  LEU  17          2HD1      LEU  17   2.639   4.859   5.931
  138   3HD1  LEU  17          3HD1      LEU  17   1.440   5.926   6.663
  139   1HD2  LEU  17          1HD2      LEU  17  -0.876   5.881   4.123
  140   2HD2  LEU  17          2HD2      LEU  17  -0.051   7.383   4.541
  141   3HD2  LEU  17          3HD2      LEU  17  -0.440   6.211   5.800
  142    H    HIS  18           H        HIS  18   2.516   6.478  -0.078
  143    HA   HIS  18           HA       HIS  18   2.424   9.400  -0.069
  144   1HB   HIS  18          1HB       HIS  18   4.603   8.135  -0.141
  145   2HB   HIS  18          1HB       HIS  18   4.175   7.638  -1.774
  146    HD1  HIS  18           HD1      HIS  18   4.352  10.966   0.086
  147    HD2  HIS  18           HD2      HIS  18   5.300   9.278  -3.591
  148    HE1  HIS  18           HE1      HIS  18   5.404  12.817  -1.252
  149    HE2  HIS  18           HE2      HIS  18   6.061  11.745  -3.435
  150    H    LEU  19           H        LEU  19   0.487   7.165  -1.444
  151    HA   LEU  19           HA       LEU  19   0.553   8.070  -4.157
  152   1HB   LEU  19          1HB       LEU  19  -1.917   6.792  -3.114
  153   2HB   LEU  19          1HB       LEU  19  -1.093   6.566  -4.623
  154    HG   LEU  19           HG       LEU  19   0.394   5.570  -2.329
  155   1HD1  LEU  19          1HD1      LEU  19  -2.244   5.105  -2.097
  156   2HD1  LEU  19          2HD1      LEU  19  -1.009   3.957  -1.582
  157   3HD1  LEU  19          3HD1      LEU  19  -1.786   3.768  -3.151
  158   1HD2  LEU  19          1HD2      LEU  19   1.285   5.056  -4.416
  159   2HD2  LEU  19          2HD2      LEU  19  -0.296   4.665  -5.093
  160   3HD2  LEU  19          3HD2      LEU  19   0.462   3.573  -3.934
  161    HA   PRO  20           HA       PRO  20  -1.738  11.783  -3.088
  162   1HB   PRO  20          1HB       PRO  20  -1.319  13.125  -5.354
  163   2HB   PRO  20          1HB       PRO  20  -0.018  12.841  -4.190
  164   1HG   PRO  20          1HG       PRO  20  -0.623  11.397  -6.743
  165   2HG   PRO  20          1HG       PRO  20   0.941  11.939  -6.109
  166   1HD   PRO  20          1HD       PRO  20   0.002   9.369  -5.890
  167   2HD   PRO  20          1HD       PRO  20   1.171  10.097  -4.772
  168    H    ASN  21           H        ASN  21  -2.405   9.885  -6.008
  169    HA   ASN  21           HA       ASN  21  -5.012  11.202  -6.186
  170   1HB   ASN  21          1HB       ASN  21  -5.013   9.759  -8.435
  171   2HB   ASN  21          1HB       ASN  21  -4.278  11.351  -8.337
  172   1HD2  ASN  21          1HD2      ASN  21  -2.270  11.585  -8.847
  173   2HD2  ASN  21          2HD2      ASN  21  -1.163  10.306  -9.138
  174    H    LEU  22           H        LEU  22  -4.414   9.251  -4.192
  175    HA   LEU  22           HA       LEU  22  -6.064   6.972  -5.007
  176   1HB   LEU  22          1HB       LEU  22  -3.705   7.000  -3.675
  177   2HB   LEU  22          1HB       LEU  22  -4.833   6.993  -2.331
  178    HG   LEU  22           HG       LEU  22  -5.820   5.064  -4.049
  179   1HD1  LEU  22          1HD1      LEU  22  -4.087   4.586  -5.400
  180   2HD1  LEU  22          2HD1      LEU  22  -3.542   3.649  -4.009
  181   3HD1  LEU  22          3HD1      LEU  22  -2.894   5.265  -4.293
  182   1HD2  LEU  22          1HD2      LEU  22  -4.200   4.947  -1.528
  183   2HD2  LEU  22          2HD2      LEU  22  -4.829   3.490  -2.297
  184   3HD2  LEU  22          3HD2      LEU  22  -5.939   4.740  -1.734
  185    H    ASN  23           H        ASN  23  -7.553   6.129  -3.276
  186    HA   ASN  23           HA       ASN  23  -8.896   8.386  -1.938
  187   1HB   ASN  23          1HB       ASN  23 -10.027   7.065  -3.930
  188   2HB   ASN  23          1HB       ASN  23 -10.387   5.897  -2.665
  189   1HD2  ASN  23          1HD2      ASN  23 -12.363   7.181  -4.045
  190   2HD2  ASN  23          2HD2      ASN  23 -13.191   8.263  -2.987
  191    H    GLU  24           H        GLU  24 -10.098   7.833   0.024
  192    HA   GLU  24           HA       GLU  24  -8.538   6.552   1.904
  193   1HB   GLU  24          1HB       GLU  24 -10.650   8.182   2.054
  194   2HB   GLU  24          1HB       GLU  24 -11.460   6.659   2.396
  195   1HG   GLU  24          1HG       GLU  24  -9.874   6.254   4.231
  196   2HG   GLU  24          1HG       GLU  24  -9.130   7.818   3.908
  197    H    GLU  25           H        GLU  25 -11.477   5.362   0.321
  198    HA   GLU  25           HA       GLU  25 -11.679   2.911   1.606
  199   1HB   GLU  25          1HB       GLU  25 -13.418   3.838   0.132
  200   2HB   GLU  25          1HB       GLU  25 -12.387   3.547  -1.263
  201   1HG   GLU  25          1HG       GLU  25 -13.751   1.721  -1.351
  202   2HG   GLU  25          1HG       GLU  25 -12.415   1.082  -0.395
  203    H    GLN  26           H        GLN  26  -9.870   3.744  -1.324
  204    HA   GLN  26           HA       GLN  26  -8.921   1.100  -1.762
  205   1HB   GLN  26          1HB       GLN  26  -7.982   3.769  -2.818
  206   2HB   GLN  26          1HB       GLN  26  -7.320   2.226  -3.341
  207   1HG   GLN  26          1HG       GLN  26  -9.010   1.861  -4.732
  208   2HG   GLN  26          1HG       GLN  26 -10.210   2.280  -3.511
  209   1HE2  GLN  26          1HE2      GLN  26  -7.624   4.287  -4.817
  210   2HE2  GLN  26          2HE2      GLN  26  -8.658   5.482  -5.516
  211    H    ARG  27           H        ARG  27  -7.385   4.042  -0.478
  212    HA   ARG  27           HA       ARG  27  -4.894   2.913   0.096
  213   1HB   ARG  27          1HB       ARG  27  -5.360   5.342   0.115
  214   2HB   ARG  27          1HB       ARG  27  -6.301   5.138   1.582
  215   1HG   ARG  27          1HG       ARG  27  -4.443   4.753   2.886
  216   2HG   ARG  27          1HG       ARG  27  -3.459   4.236   1.515
  217   1HD   ARG  27          1HD       ARG  27  -2.648   6.366   2.123
  218   2HD   ARG  27          1HD       ARG  27  -3.621   6.617   0.674
  219    HE   ARG  27           HE       ARG  27  -5.382   7.071   2.668
  220   1HH1  ARG  27          1HH1      ARG  27  -2.184   8.301   2.006
  221   2HH1  ARG  27          2HH1      ARG  27  -2.479   9.829   2.765
  222   1HH2  ARG  27          1HH2      ARG  27  -5.772   9.080   3.666
  223   2HH2  ARG  27          2HH2      ARG  27  -4.516  10.272   3.707
  224    H    ASN  28           H        ASN  28  -7.931   2.776   1.811
  225    HA   ASN  28           HA       ASN  28  -6.806   1.797   4.255
  226   1HB   ASN  28          1HB       ASN  28  -9.530   2.297   3.196
  227   2HB   ASN  28          1HB       ASN  28  -9.396   1.061   4.443
  228   1HD2  ASN  28          1HD2      ASN  28 -10.315   4.033   4.156
  229   2HD2  ASN  28          2HD2      ASN  28  -9.705   4.747   5.607
  230    H    ALA  29           H        ALA  29  -8.622   0.319   1.566
  231    HA   ALA  29           HA       ALA  29  -8.597  -2.309   2.523
  232   1HB   ALA  29          1HB       ALA  29  -9.246  -2.980   0.363
  233   2HB   ALA  29          2HB       ALA  29  -8.439  -1.608  -0.396
  234   3HB   ALA  29          3HB       ALA  29  -9.902  -1.354   0.555
  235    H    PHE  30           H        PHE  30  -6.216  -0.472   0.750
  236    HA   PHE  30           HA       PHE  30  -4.464  -2.648   0.206
  237   1HB   PHE  30          1HB       PHE  30  -4.315   0.323   0.003
  238   2HB   PHE  30          1HB       PHE  30  -2.827  -0.607  -0.079
  239    HD1  PHE  30           HD1      PHE  30  -5.099   0.967  -2.048
  240    HD2  PHE  30           HD2      PHE  30  -3.271  -2.854  -1.647
  241    HE1  PHE  30           HE1      PHE  30  -5.540   0.510  -4.426
  242    HE2  PHE  30           HE2      PHE  30  -3.706  -3.318  -4.023
  243    HZ   PHE  30           HZ       PHE  30  -4.841  -1.637  -5.416
  244    H    ILE  31           H        ILE  31  -4.255   0.076   2.488
  245    HA   ILE  31           HA       ILE  31  -1.944  -0.729   3.820
  246    HB   ILE  31           HB       ILE  31  -4.342   0.774   4.874
  247   1HG1  ILE  31          1HG1      ILE  31  -1.628   1.891   4.219
  248   2HG1  ILE  31          1HG1      ILE  31  -2.855   1.695   2.972
  249   1HG2  ILE  31          1HG2      ILE  31  -2.347   1.565   6.489
  250   2HG2  ILE  31          2HG2      ILE  31  -1.875  -0.113   6.222
  251   3HG2  ILE  31          3HG2      ILE  31  -3.464   0.261   6.890
  252   1HD1  ILE  31          1HD1      ILE  31  -3.097   3.360   5.465
  253   2HD1  ILE  31          2HD1      ILE  31  -4.366   3.135   4.260
  254   3HD1  ILE  31          3HD1      ILE  31  -2.865   3.952   3.820
  255    H    GLN  32           H        GLN  32  -5.349  -1.507   4.487
  256    HA   GLN  32           HA       GLN  32  -4.901  -3.096   6.758
  257   1HB   GLN  32          1HB       GLN  32  -7.126  -2.201   5.855
  258   2HB   GLN  32          1HB       GLN  32  -7.109  -3.576   4.759
  259   1HG   GLN  32          1HG       GLN  32  -8.429  -4.262   6.551
  260   2HG   GLN  32          1HG       GLN  32  -6.865  -5.023   6.837
  261   1HE2  GLN  32          1HE2      GLN  32  -7.488  -5.221   9.038
  262   2HE2  GLN  32          2HE2      GLN  32  -7.366  -3.873  10.110
  263    H    SER  33           H        SER  33  -5.263  -3.981   3.331
  264    HA   SER  33           HA       SER  33  -4.935  -6.723   3.561
  265   1HB   SER  33          1HB       SER  33  -5.514  -5.373   1.467
  266   2HB   SER  33          1HB       SER  33  -3.780  -5.123   1.279
  267    HG   SER  33           HG       SER  33  -4.597  -6.958   0.119
  268    H    LEU  34           H        LEU  34  -2.546  -4.171   3.387
  269    HA   LEU  34           HA       LEU  34  -0.246  -5.802   3.226
  270   1HB   LEU  34          1HB       LEU  34  -0.744  -3.131   3.041
  271   2HB   LEU  34          1HB       LEU  34   0.001  -3.219   4.625
  272    HG   LEU  34           HG       LEU  34   1.906  -4.480   3.497
  273   1HD1  LEU  34          1HD1      LEU  34   0.523  -3.384   1.056
  274   2HD1  LEU  34          2HD1      LEU  34   0.799  -5.081   1.444
  275   3HD1  LEU  34          3HD1      LEU  34   2.165  -4.026   1.086
  276   1HD2  LEU  34          1HD2      LEU  34   2.617  -2.413   4.073
  277   2HD2  LEU  34          2HD2      LEU  34   1.241  -1.610   3.317
  278   3HD2  LEU  34          3HD2      LEU  34   2.591  -2.166   2.327
  279    H    LYS  35           H        LYS  35  -2.109  -4.468   5.888
  280    HA   LYS  35           HA       LYS  35  -0.308  -5.294   7.936
  281   1HB   LYS  35          1HB       LYS  35  -2.352  -3.531   7.857
  282   2HB   LYS  35          1HB       LYS  35  -3.166  -4.903   8.594
  283   1HG   LYS  35          1HG       LYS  35  -2.244  -4.467  10.556
  284   2HG   LYS  35          1HG       LYS  35  -0.626  -4.495   9.855
  285   1HD   LYS  35          1HD       LYS  35  -0.856  -2.162   9.190
  286   2HD   LYS  35          1HD       LYS  35  -2.498  -2.128   9.837
  287   1HE   LYS  35          1HE       LYS  35  -1.585  -1.413  11.742
  288   2HE   LYS  35          1HE       LYS  35  -0.997  -3.061  11.954
  289   1HZ   LYS  35          1HZ       LYS  35   0.911  -2.098  10.405
  290   2HZ   LYS  35          2HZ       LYS  35   0.964  -1.977  12.091
  291   3HZ   LYS  35          3HZ       LYS  35   0.449  -0.659  11.166
  292    H    ASP  36           H        ASP  36  -2.846  -6.823   6.157
  293    HA   ASP  36           HA       ASP  36  -3.278  -8.921   8.086
  294   1HB   ASP  36          1HB       ASP  36  -4.326  -8.259   5.373
  295   2HB   ASP  36          1HB       ASP  36  -4.460  -9.924   5.930
  296    H    ASP  37           H        ASP  37  -2.018  -8.888   4.744
  297    HA   ASP  37           HA       ASP  37  -0.300 -11.169   5.469
  298   1HB   ASP  37          1HB       ASP  37  -2.264 -11.654   3.894
  299   2HB   ASP  37          1HB       ASP  37  -1.387 -10.704   2.699
  300    HA   PRO  38           HA       PRO  38   2.471  -7.643   4.317
  301   1HB   PRO  38          1HB       PRO  38   4.312  -9.374   5.875
  302   2HB   PRO  38          1HB       PRO  38   4.029  -7.635   5.997
  303   1HG   PRO  38          1HG       PRO  38   3.082  -9.299   7.847
  304   2HG   PRO  38          1HG       PRO  38   2.131  -7.903   7.304
  305   1HD   PRO  38          1HD       PRO  38   1.841 -10.792   6.581
  306   2HD   PRO  38          1HD       PRO  38   0.585  -9.578   6.901
  307    H    SER  39           H        SER  39   2.764 -11.113   4.028
  308    HA   SER  39           HA       SER  39   5.127 -11.274   2.544
  309   1HB   SER  39          1HB       SER  39   4.532 -13.497   2.078
  310   2HB   SER  39          1HB       SER  39   3.719 -13.159   3.606
  311    HG   SER  39           HG       SER  39   1.843 -12.621   2.260
  312    H    GLN  40           H        GLN  40   1.784 -10.779   1.483
  313    HA   GLN  40           HA       GLN  40   2.670 -10.634  -1.296
  314   1HB   GLN  40          1HB       GLN  40  -0.078 -10.623  -0.050
  315   2HB   GLN  40          1HB       GLN  40   0.212 -10.449  -1.775
  316   1HG   GLN  40          1HG       GLN  40   1.314 -12.795  -0.292
  317   2HG   GLN  40          1HG       GLN  40  -0.373 -12.770  -0.804
  318   1HE2  GLN  40          1HE2      GLN  40   2.377 -14.073  -1.625
  319   2HE2  GLN  40          2HE2      GLN  40   2.284 -14.044  -3.350
  320    H    SER  41           H        SER  41   3.421  -8.523   0.591
  321    HA   SER  41           HA       SER  41   1.819  -6.237   0.270
  322   1HB   SER  41          1HB       SER  41   4.789  -6.494   0.783
  323   2HB   SER  41          1HB       SER  41   3.900  -4.974   0.873
  324    HG   SER  41           HG       SER  41   4.239  -6.368   2.871
  325    H    ALA  42           H        ALA  42   4.805  -7.174  -1.471
  326    HA   ALA  42           HA       ALA  42   4.984  -5.121  -3.273
  327   1HB   ALA  42          1HB       ALA  42   6.518  -6.390  -4.323
  328   2HB   ALA  42          2HB       ALA  42   5.425  -7.764  -4.480
  329   3HB   ALA  42          3HB       ALA  42   6.277  -7.485  -2.962
  330    H    ASN  43           H        ASN  43   2.650  -7.707  -3.259
  331    HA   ASN  43           HA       ASN  43   1.700  -7.258  -5.919
  332   1HB   ASN  43          1HB       ASN  43   1.426  -9.397  -4.577
  333   2HB   ASN  43          1HB       ASN  43   0.181  -8.560  -3.654
  334   1HD2  ASN  43          1HD2      ASN  43  -1.822  -8.455  -4.448
  335   2HD2  ASN  43          2HD2      ASN  43  -2.299  -9.020  -6.009
  336    H    LEU  44           H        LEU  44   0.718  -6.235  -2.685
  337    HA   LEU  44           HA       LEU  44  -1.580  -4.803  -3.562
  338   1HB   LEU  44          1HB       LEU  44  -0.309  -3.990  -1.025
  339   2HB   LEU  44          1HB       LEU  44  -1.989  -4.342  -1.379
  340    HG   LEU  44           HG       LEU  44   0.206  -6.319  -0.800
  341   1HD1  LEU  44          1HD1      LEU  44  -1.341  -4.944   0.936
  342   2HD1  LEU  44          2HD1      LEU  44  -0.694  -6.556   1.245
  343   3HD1  LEU  44          3HD1      LEU  44  -2.345  -6.367   0.654
  344   1HD2  LEU  44          1HD2      LEU  44  -1.975  -7.854  -0.918
  345   2HD2  LEU  44          2HD2      LEU  44  -0.915  -7.593  -2.303
  346   3HD2  LEU  44          3HD2      LEU  44  -2.405  -6.662  -2.145
  347    H    LEU  45           H        LEU  45   1.750  -4.196  -3.579
  348    HA   LEU  45           HA       LEU  45   1.629  -1.319  -3.479
  349   1HB   LEU  45          1HB       LEU  45   3.616  -3.045  -3.008
  350   2HB   LEU  45          1HB       LEU  45   3.917  -2.774  -4.705
  351    HG   LEU  45           HG       LEU  45   4.264  -0.425  -4.357
  352   1HD1  LEU  45          1HD1      LEU  45   2.816   0.331  -2.754
  353   2HD1  LEU  45          2HD1      LEU  45   4.324   0.301  -1.842
  354   3HD1  LEU  45          3HD1      LEU  45   3.156  -1.007  -1.656
  355   1HD2  LEU  45          1HD2      LEU  45   5.727  -2.134  -2.354
  356   2HD2  LEU  45          2HD2      LEU  45   6.205  -0.495  -2.799
  357   3HD2  LEU  45          3HD2      LEU  45   6.209  -1.775  -4.012
  358    H    ALA  46           H        ALA  46   2.542  -3.717  -5.874
  359    HA   ALA  46           HA       ALA  46   2.529  -2.016  -8.103
  360   1HB   ALA  46          1HB       ALA  46   2.656  -4.885  -7.627
  361   2HB   ALA  46          2HB       ALA  46   3.442  -3.910  -8.868
  362   3HB   ALA  46          3HB       ALA  46   1.793  -4.484  -9.112
  363    H    GLU  47           H        GLU  47  -0.030  -3.684  -6.420
  364    HA   GLU  47           HA       GLU  47  -2.013  -3.250  -8.454
  365   1HB   GLU  47          1HB       GLU  47  -1.977  -4.332  -5.694
  366   2HB   GLU  47          1HB       GLU  47  -3.506  -3.673  -6.255
  367   1HG   GLU  47          1HG       GLU  47  -1.920  -5.898  -7.510
  368   2HG   GLU  47          1HG       GLU  47  -3.468  -6.025  -6.674
  369    H    ALA  48           H        ALA  48  -1.296  -1.731  -5.335
  370    HA   ALA  48           HA       ALA  48  -3.316   0.248  -5.555
  371   1HB   ALA  48          1HB       ALA  48  -0.802   0.183  -3.888
  372   2HB   ALA  48          2HB       ALA  48  -2.418  -0.315  -3.385
  373   3HB   ALA  48          3HB       ALA  48  -2.084   1.383  -3.726
  374    H    LYS  49           H        LYS  49  -0.159  -0.114  -6.862
  375    HA   LYS  49           HA       LYS  49   0.278   2.648  -7.437
  376   1HB   LYS  49          1HB       LYS  49   2.140   1.049  -7.133
  377   2HB   LYS  49          1HB       LYS  49   1.594   0.163  -8.546
  378   1HG   LYS  49          1HG       LYS  49   2.599   1.569  -9.956
  379   2HG   LYS  49          1HG       LYS  49   2.038   2.992  -9.078
  380   1HD   LYS  49          1HD       LYS  49   3.986   1.676  -7.477
  381   2HD   LYS  49          1HD       LYS  49   4.635   1.835  -9.110
  382   1HE   LYS  49          1HE       LYS  49   5.279   3.836  -8.178
  383   2HE   LYS  49          1HE       LYS  49   3.740   4.281  -8.914
  384   1HZ   LYS  49          1HZ       LYS  49   2.932   3.505  -6.501
  385   2HZ   LYS  49          2HZ       LYS  49   3.344   5.102  -6.874
  386   3HZ   LYS  49          3HZ       LYS  49   4.469   4.096  -6.111
  387    H    LYS  50           H        LYS  50  -0.750  -0.231  -9.236
  388    HA   LYS  50           HA       LYS  50  -1.063   1.081 -11.731
  389   1HB   LYS  50          1HB       LYS  50  -1.211  -1.539 -10.802
  390   2HB   LYS  50          1HB       LYS  50  -2.849  -1.179 -11.329
  391   1HG   LYS  50          1HG       LYS  50  -2.119  -1.807 -13.342
  392   2HG   LYS  50          1HG       LYS  50  -1.384  -0.204 -13.404
  393   1HD   LYS  50          1HD       LYS  50   0.510  -1.601 -12.046
  394   2HD   LYS  50          1HD       LYS  50  -0.137  -2.850 -13.111
  395   1HE   LYS  50          1HE       LYS  50   0.411  -1.632 -15.046
  396   2HE   LYS  50          1HE       LYS  50   0.659  -0.142 -14.137
  397   1HZ   LYS  50          1HZ       LYS  50   2.410  -2.516 -14.288
  398   2HZ   LYS  50          2HZ       LYS  50   2.545  -1.411 -13.015
  399   3HZ   LYS  50          3HZ       LYS  50   2.792  -0.899 -14.608
  400    H    LEU  51           H        LEU  51  -3.135   0.531  -8.965
  401    HA   LEU  51           HA       LEU  51  -5.523   1.423 -10.208
  402   1HB   LEU  51          1HB       LEU  51  -4.712   1.066  -7.332
  403   2HB   LEU  51          1HB       LEU  51  -6.294   1.672  -7.785
  404    HG   LEU  51           HG       LEU  51  -5.150  -1.040  -8.448
  405   1HD1  LEU  51          1HD1      LEU  51  -6.233  -0.273  -6.117
  406   2HD1  LEU  51          2HD1      LEU  51  -6.419  -1.895  -6.786
  407   3HD1  LEU  51          3HD1      LEU  51  -7.699  -0.700  -7.000
  408   1HD2  LEU  51          1HD2      LEU  51  -6.446  -0.346 -10.327
  409   2HD2  LEU  51          2HD2      LEU  51  -7.731   0.268  -9.286
  410   3HD2  LEU  51          3HD2      LEU  51  -7.430  -1.467  -9.385
  411    H    ASN  52           H        ASN  52  -3.224   2.973  -7.976
  412    HA   ASN  52           HA       ASN  52  -4.463   5.437  -7.815
  413   1HB   ASN  52          1HB       ASN  52  -2.488   4.448  -6.499
  414   2HB   ASN  52          1HB       ASN  52  -1.588   5.227  -7.752
  415   1HD2  ASN  52          1HD2      ASN  52  -0.746   7.016  -7.036
  416   2HD2  ASN  52          2HD2      ASN  52  -1.564   8.186  -6.073
  417    H    ASP  53           H        ASP  53  -2.109   4.243 -10.088
  418    HA   ASP  53           HA       ASP  53  -1.862   6.738 -11.473
  419   1HB   ASP  53          1HB       ASP  53  -1.108   3.955 -12.390
  420   2HB   ASP  53          1HB       ASP  53  -0.555   5.470 -13.099
  421    H    ALA  54           H        ALA  54  -3.732   3.799 -11.878
  422    HA   ALA  54           HA       ALA  54  -4.766   4.463 -14.438
  423   1HB   ALA  54          1HB       ALA  54  -4.696   2.174 -13.891
  424   2HB   ALA  54          2HB       ALA  54  -6.404   2.610 -13.921
  425   3HB   ALA  54          3HB       ALA  54  -5.568   2.430 -12.379
  426    H    GLN  55           H        GLN  55  -5.745   5.133 -11.152
  427    HA   GLN  55           HA       GLN  55  -8.312   6.185 -12.079
  428   1HB   GLN  55          1HB       GLN  55  -9.047   6.158  -9.810
  429   2HB   GLN  55          1HB       GLN  55  -8.259   4.621 -10.130
  430   1HG   GLN  55          1HG       GLN  55  -6.207   6.155  -9.149
  431   2HG   GLN  55          1HG       GLN  55  -7.590   6.706  -8.212
  432   1HE2  GLN  55          1HE2      GLN  55  -5.970   5.694  -6.648
  433   2HE2  GLN  55          2HE2      GLN  55  -6.259   4.046  -6.257
  434    H    ALA  56           H        ALA  56  -5.446   7.415 -12.181
  435    HA   ALA  56           HA       ALA  56  -5.860   9.855 -10.660
  436   1HB   ALA  56          1HB       ALA  56  -3.613   8.457 -11.296
  437   2HB   ALA  56          2HB       ALA  56  -3.640  10.137 -10.760
  438   3HB   ALA  56          3HB       ALA  56  -3.571   9.761 -12.482
  439    HA   PRO  57           HA       PRO  57  -7.197  12.712 -13.733
  440   1HB   PRO  57          1HB       PRO  57  -4.530  14.032 -13.763
  441   2HB   PRO  57          1HB       PRO  57  -6.130  14.729 -13.485
  442   1HG   PRO  57          1HG       PRO  57  -4.449  14.354 -11.459
  443   2HG   PRO  57          1HG       PRO  57  -6.186  14.050 -11.267
  444   1HD   PRO  57          1HD       PRO  57  -3.944  12.103 -11.606
  445   2HD   PRO  57          1HD       PRO  57  -5.403  11.982 -10.599
  446    H    LYS  58           H        LYS  58  -7.173  13.112 -15.946
  447    HA   LYS  58           HA       LYS  58  -5.590  11.282 -17.507
  448   1HB   LYS  58          1HB       LYS  58  -6.922  12.032 -19.392
  449   2HB   LYS  58          1HB       LYS  58  -7.969  11.707 -18.018
  450   1HG   LYS  58          1HG       LYS  58  -8.863  13.685 -18.622
  451   2HG   LYS  58          1HG       LYS  58  -7.552  14.317 -17.625
  452   1HD   LYS  58          1HD       LYS  58  -6.735  13.796 -20.373
  453   2HD   LYS  58          1HD       LYS  58  -8.051  14.966 -20.261
  454   1HE   LYS  58          1HE       LYS  58  -6.690  16.547 -19.478
  455   2HE   LYS  58          1HE       LYS  58  -6.014  15.461 -18.265
  456   1HZ   LYS  58          1HZ       LYS  58  -5.104  14.882 -20.925
  457   2HZ   LYS  58          2HZ       LYS  58  -4.214  15.105 -19.504
  458   3HZ   LYS  58          3HZ       LYS  58  -4.692  16.444 -20.419
  Start of MODEL    2
    1   1H    VAL   1          1HT       VAL   1   6.744 -10.590  21.146
    2   2H    VAL   1          2HT       VAL   1   6.676 -11.420  19.645
    3   3H    VAL   1          3HT       VAL   1   7.358  -9.847  19.729
    4    HA   VAL   1           HA       VAL   1   8.907 -10.957  21.441
    5    HB   VAL   1           HB       VAL   1   8.223 -13.271  19.623
    6   1HG1  VAL   1          1HG1      VAL   1   9.992 -14.370  20.479
    7   2HG1  VAL   1          2HG1      VAL   1   9.786 -13.670  22.084
    8   3HG1  VAL   1          3HG1      VAL   1  10.589 -12.745  20.816
    9   1HG2  VAL   1          1HG2      VAL   1   7.805 -13.561  22.517
   10   2HG2  VAL   1          2HG2      VAL   1   6.835 -14.144  21.165
   11   3HG2  VAL   1          3HG2      VAL   1   6.678 -12.473  21.707
   12    H    ASP   2           H        ASP   2   8.508 -12.012  18.043
   13    HA   ASP   2           HA       ASP   2  11.152 -11.593  17.313
   14   1HB   ASP   2          1HB       ASP   2   9.688 -12.905  15.917
   15   2HB   ASP   2          1HB       ASP   2   8.648 -11.518  15.617
   16    H    ASN   3           H        ASN   3   8.778  -9.608  15.635
   17    HA   ASN   3           HA       ASN   3   9.716  -7.132  16.731
   18   1HB   ASN   3          1HB       ASN   3  11.340  -8.108  14.786
   19   2HB   ASN   3          1HB       ASN   3  10.188  -7.203  13.809
   20   1HD2  ASN   3          1HD2      ASN   3  11.584  -5.610  13.204
   21   2HD2  ASN   3          2HD2      ASN   3  12.235  -4.446  14.302
   22    H    LYS   4           H        LYS   4   8.968  -5.446  14.618
   23    HA   LYS   4           HA       LYS   4   6.087  -5.782  14.731
   24   1HB   LYS   4          1HB       LYS   4   7.945  -3.550  14.321
   25   2HB   LYS   4          1HB       LYS   4   6.525  -3.482  13.288
   26   1HG   LYS   4          1HG       LYS   4   5.355  -2.654  14.968
   27   2HG   LYS   4          1HG       LYS   4   5.628  -4.139  15.881
   28   1HD   LYS   4          1HD       LYS   4   7.910  -2.301  15.867
   29   2HD   LYS   4          1HD       LYS   4   6.462  -1.649  16.636
   30   1HE   LYS   4          1HE       LYS   4   7.463  -2.704  18.414
   31   2HE   LYS   4          1HE       LYS   4   6.403  -3.981  17.819
   32   1HZ   LYS   4          1HZ       LYS   4   9.296  -3.827  17.815
   33   2HZ   LYS   4          2HZ       LYS   4   8.613  -4.434  16.392
   34   3HZ   LYS   4          3HZ       LYS   4   8.283  -5.180  17.873
   35    H    PHE   5           H        PHE   5   7.746  -4.316  11.993
   36    HA   PHE   5           HA       PHE   5   6.742  -6.464  10.258
   37   1HB   PHE   5          1HB       PHE   5   6.228  -3.539  10.112
   38   2HB   PHE   5          1HB       PHE   5   6.459  -4.401   8.594
   39    HD1  PHE   5           HD1      PHE   5   4.667  -4.990  11.805
   40    HD2  PHE   5           HD2      PHE   5   4.512  -5.052   7.561
   41    HE1  PHE   5           HE1      PHE   5   2.329  -5.751  11.908
   42    HE2  PHE   5           HE2      PHE   5   2.178  -5.813   7.648
   43    HZ   PHE   5           HZ       PHE   5   1.083  -6.162   9.826
   44    H    ASN   6           H        ASN   6   7.686  -5.698   7.857
   45    HA   ASN   6           HA       ASN   6  10.594  -5.557   8.293
   46   1HB   ASN   6          1HB       ASN   6   8.889  -7.060   6.371
   47   2HB   ASN   6          1HB       ASN   6  10.458  -6.504   5.798
   48   1HD2  ASN   6          1HD2      ASN   6  12.310  -7.409   6.608
   49   2HD2  ASN   6          2HD2      ASN   6  12.312  -8.820   7.605
   50    H    LYS   7           H        LYS   7  11.809  -4.641   6.356
   51    HA   LYS   7           HA       LYS   7  11.029  -1.962   5.972
   52   1HB   LYS   7          1HB       LYS   7  13.025  -3.430   4.275
   53   2HB   LYS   7          1HB       LYS   7  12.981  -1.719   4.674
   54   1HG   LYS   7          1HG       LYS   7  14.428  -2.153   6.294
   55   2HG   LYS   7          1HG       LYS   7  13.125  -2.997   7.133
   56   1HD   LYS   7          1HD       LYS   7  13.792  -5.032   5.730
   57   2HD   LYS   7          1HD       LYS   7  15.269  -4.138   5.365
   58   1HE   LYS   7          1HE       LYS   7  16.011  -5.216   7.212
   59   2HE   LYS   7          1HE       LYS   7  15.243  -3.851   8.022
   60   1HZ   LYS   7          1HZ       LYS   7  14.630  -6.590   8.232
   61   2HZ   LYS   7          2HZ       LYS   7  13.279  -5.780   7.616
   62   3HZ   LYS   7          3HZ       LYS   7  13.961  -5.290   9.083
   63    H    GLU   8           H        GLU   8  11.026  -4.739   3.752
   64    HA   GLU   8           HA       GLU   8  10.224  -3.560   1.413
   65   1HB   GLU   8          1HB       GLU   8   9.055  -6.155   2.409
   66   2HB   GLU   8          1HB       GLU   8   9.337  -5.672   0.742
   67   1HG   GLU   8          1HG       GLU   8  11.182  -6.911   0.924
   68   2HG   GLU   8          1HG       GLU   8  11.842  -5.508   1.762
   69    H    GLN   9           H        GLN   9   8.164  -4.471   4.138
   70    HA   GLN   9           HA       GLN   9   5.737  -3.709   2.864
   71   1HB   GLN   9          1HB       GLN   9   5.562  -5.320   4.588
   72   2HB   GLN   9          1HB       GLN   9   6.474  -4.326   5.716
   73   1HG   GLN   9          1HG       GLN   9   3.939  -3.206   4.675
   74   2HG   GLN   9          1HG       GLN   9   3.827  -4.551   5.806
   75   1HE2  GLN   9          1HE2      GLN   9   2.764  -2.234   6.542
   76   2HE2  GLN   9          2HE2      GLN   9   3.725  -1.467   7.748
   77    H    GLN  10           H        GLN  10   8.098  -2.069   4.867
   78    HA   GLN  10           HA       GLN  10   6.413   0.214   5.317
   79   1HB   GLN  10          1HB       GLN  10   9.167  -0.595   6.102
   80   2HB   GLN  10          1HB       GLN  10   8.784   1.121   6.106
   81   1HG   GLN  10          1HG       GLN  10   6.944  -0.770   7.482
   82   2HG   GLN  10          1HG       GLN  10   8.466  -0.336   8.253
   83   1HE2  GLN  10          1HE2      GLN  10   7.455   0.723   9.915
   84   2HE2  GLN  10          2HE2      GLN  10   6.687   2.250   9.704
   85    H    ASN  11           H        ASN  11   8.813  -0.765   2.978
   86    HA   ASN  11           HA       ASN  11   9.236   1.904   1.960
   87   1HB   ASN  11          1HB       ASN  11  10.028  -0.867   1.139
   88   2HB   ASN  11          1HB       ASN  11  10.019   0.387  -0.095
   89   1HD2  ASN  11          1HD2      ASN  11  12.244  -1.080   0.906
   90   2HD2  ASN  11          2HD2      ASN  11  13.333   0.066   1.592
   91    H    ALA  12           H        ALA  12   7.233  -0.900   1.305
   92    HA   ALA  12           HA       ALA  12   5.949   0.171  -0.996
   93   1HB   ALA  12          1HB       ALA  12   4.480  -1.777   0.673
   94   2HB   ALA  12          2HB       ALA  12   6.053  -2.298   0.069
   95   3HB   ALA  12          3HB       ALA  12   4.801  -1.785  -1.061
   96    H    PHE  13           H        PHE  13   5.355   0.189   2.469
   97    HA   PHE  13           HA       PHE  13   2.785   1.269   2.482
   98   1HB   PHE  13          1HB       PHE  13   4.096   0.297   4.433
   99   2HB   PHE  13          1HB       PHE  13   4.888   1.868   4.543
  100    HD1  PHE  13           HD1      PHE  13   3.538   3.881   4.999
  101    HD2  PHE  13           HD2      PHE  13   1.939  -0.043   5.250
  102    HE1  PHE  13           HE1      PHE  13   1.645   4.746   6.321
  103    HE2  PHE  13           HE2      PHE  13   0.045   0.803   6.573
  104    HZ   PHE  13           HZ       PHE  13  -0.107   3.204   7.106
  105    H    TYR  14           H        TYR  14   5.925   2.875   2.678
  106    HA   TYR  14           HA       TYR  14   4.908   5.510   2.732
  107   1HB   TYR  14          1HB       TYR  14   7.559   4.260   2.189
  108   2HB   TYR  14          1HB       TYR  14   7.317   5.916   1.640
  109    HD1  TYR  14           HD1      TYR  14   6.390   7.579   3.424
  110    HD2  TYR  14           HD2      TYR  14   8.249   3.873   4.368
  111    HE1  TYR  14           HE1      TYR  14   6.872   8.406   5.689
  112    HE2  TYR  14           HE2      TYR  14   8.736   4.687   6.637
  113    HH   TYR  14           HH       TYR  14   8.981   6.764   7.834
  114    H    GLU  15           H        GLU  15   5.899   3.360   0.104
  115    HA   GLU  15           HA       GLU  15   5.653   5.176  -2.014
  116   1HB   GLU  15          1HB       GLU  15   5.649   2.231  -1.721
  117   2HB   GLU  15          1HB       GLU  15   4.884   2.849  -3.178
  118   1HG   GLU  15          1HG       GLU  15   7.138   4.279  -3.242
  119   2HG   GLU  15          1HG       GLU  15   7.721   2.863  -2.369
  120    H    ILE  16           H        ILE  16   3.301   3.270  -0.270
  121    HA   ILE  16           HA       ILE  16   1.101   3.851  -1.984
  122    HB   ILE  16           HB       ILE  16   1.589   2.388   0.522
  123   1HG1  ILE  16          1HG1      ILE  16  -0.556   1.516  -1.280
  124   2HG1  ILE  16          1HG1      ILE  16   0.995   1.743  -2.081
  125   1HG2  ILE  16          1HG2      ILE  16  -1.031   3.755   0.013
  126   2HG2  ILE  16          2HG2      ILE  16  -0.104   3.648   1.510
  127   3HG2  ILE  16          3HG2      ILE  16  -0.955   2.231   0.896
  128   1HD1  ILE  16          1HD1      ILE  16   0.228  -0.188   0.049
  129   2HD1  ILE  16          2HD1      ILE  16   1.908   0.327  -0.098
  130   3HD1  ILE  16          3HD1      ILE  16   1.104  -0.458  -1.457
  131    H    LEU  17           H        LEU  17   2.318   5.060   1.097
  132    HA   LEU  17           HA       LEU  17   0.200   6.812   1.683
  133   1HB   LEU  17          1HB       LEU  17   2.971   6.412   2.597
  134   2HB   LEU  17          1HB       LEU  17   2.353   8.038   2.810
  135    HG   LEU  17           HG       LEU  17   1.190   5.501   3.953
  136   1HD1  LEU  17          1HD1      LEU  17   2.882   6.014   5.391
  137   2HD1  LEU  17          2HD1      LEU  17   1.609   7.035   6.061
  138   3HD1  LEU  17          3HD1      LEU  17   2.838   7.735   5.008
  139   1HD2  LEU  17          1HD2      LEU  17   0.044   8.201   3.586
  140   2HD2  LEU  17          2HD2      LEU  17  -0.192   7.448   5.163
  141   3HD2  LEU  17          3HD2      LEU  17  -0.755   6.633   3.704
  142    H    HIS  18           H        HIS  18   2.654   6.965  -0.698
  143    HA   HIS  18           HA       HIS  18   2.438   9.865  -0.937
  144   1HB   HIS  18          1HB       HIS  18   4.660   8.700  -0.934
  145   2HB   HIS  18          1HB       HIS  18   4.234   8.016  -2.498
  146    HD1  HIS  18           HD1      HIS  18   4.191  11.548  -1.050
  147    HD2  HIS  18           HD2      HIS  18   5.377   9.475  -4.451
  148    HE1  HIS  18           HE1      HIS  18   5.181  13.279  -2.581
  149    HE2  HIS  18           HE2      HIS  18   5.837  12.012  -4.658
  150    H    LEU  19           H        LEU  19   0.588   7.430  -2.127
  151    HA   LEU  19           HA       LEU  19   0.587   8.152  -4.896
  152   1HB   LEU  19          1HB       LEU  19  -1.828   6.863  -3.753
  153   2HB   LEU  19          1HB       LEU  19  -0.998   6.563  -5.246
  154    HG   LEU  19           HG       LEU  19   0.560   5.765  -2.935
  155   1HD1  LEU  19          1HD1      LEU  19  -1.913   5.343  -2.307
  156   2HD1  LEU  19          2HD1      LEU  19  -0.762   4.020  -2.138
  157   3HD1  LEU  19          3HD1      LEU  19  -1.838   4.077  -3.532
  158   1HD2  LEU  19          1HD2      LEU  19  -0.265   3.816  -4.962
  159   2HD2  LEU  19          2HD2      LEU  19   1.345   4.234  -4.377
  160   3HD2  LEU  19          3HD2      LEU  19   0.560   5.242  -5.593
  161    HA   PRO  20           HA       PRO  20  -1.849  11.838  -3.977
  162   1HB   PRO  20          1HB       PRO  20  -1.409  12.639  -6.718
  163   2HB   PRO  20          1HB       PRO  20  -0.735  13.326  -5.240
  164   1HG   PRO  20          1HG       PRO  20   0.747  11.974  -7.089
  165   2HG   PRO  20          1HG       PRO  20   1.167  12.066  -5.370
  166   1HD   PRO  20          1HD       PRO  20  -0.172   9.854  -6.881
  167   2HD   PRO  20          1HD       PRO  20   1.076   9.765  -5.619
  168    H    ASN  21           H        ASN  21  -2.457   9.563  -6.560
  169    HA   ASN  21           HA       ASN  21  -5.092  10.773  -6.980
  170   1HB   ASN  21          1HB       ASN  21  -4.091   8.604  -8.765
  171   2HB   ASN  21          1HB       ASN  21  -5.111   9.983  -9.148
  172   1HD2  ASN  21          1HD2      ASN  21  -2.500   8.746 -10.115
  173   2HD2  ASN  21          2HD2      ASN  21  -1.470  10.109 -10.296
  174    H    LEU  22           H        LEU  22  -4.432   9.107  -4.714
  175    HA   LEU  22           HA       LEU  22  -6.100   6.757  -5.237
  176   1HB   LEU  22          1HB       LEU  22  -3.642   6.897  -4.076
  177   2HB   LEU  22          1HB       LEU  22  -4.692   6.927  -2.670
  178    HG   LEU  22           HG       LEU  22  -5.806   4.921  -4.068
  179   1HD1  LEU  22          1HD1      LEU  22  -3.703   3.504  -4.668
  180   2HD1  LEU  22          2HD1      LEU  22  -2.946   5.083  -4.881
  181   3HD1  LEU  22          3HD1      LEU  22  -4.364   4.649  -5.835
  182   1HD2  LEU  22          1HD2      LEU  22  -5.394   3.947  -2.118
  183   2HD2  LEU  22          2HD2      LEU  22  -4.246   5.226  -1.725
  184   3HD2  LEU  22          3HD2      LEU  22  -3.695   3.769  -2.550
  185    H    ASN  23           H        ASN  23  -7.823   6.246  -3.903
  186    HA   ASN  23           HA       ASN  23  -8.885   8.532  -2.398
  187   1HB   ASN  23          1HB       ASN  23 -11.061   7.276  -2.519
  188   2HB   ASN  23          1HB       ASN  23 -10.408   7.753  -4.082
  189   1HD2  ASN  23          1HD2      ASN  23 -10.565   6.286  -5.565
  190   2HD2  ASN  23          2HD2      ASN  23 -10.538   4.579  -5.324
  191    H    GLU  24           H        GLU  24  -9.860   8.203  -0.322
  192    HA   GLU  24           HA       GLU  24  -8.304   6.857   1.492
  193   1HB   GLU  24          1HB       GLU  24 -10.427   8.585   1.630
  194   2HB   GLU  24          1HB       GLU  24 -11.095   7.120   2.336
  195   1HG   GLU  24          1HG       GLU  24  -9.659   7.158   4.122
  196   2HG   GLU  24          1HG       GLU  24  -8.431   8.078   3.254
  197    H    GLU  25           H        GLU  25 -11.196   5.706  -0.153
  198    HA   GLU  25           HA       GLU  25 -11.639   3.411   1.394
  199   1HB   GLU  25          1HB       GLU  25 -13.112   4.497  -0.438
  200   2HB   GLU  25          1HB       GLU  25 -12.193   3.500  -1.557
  201   1HG   GLU  25          1HG       GLU  25 -13.144   1.945   0.676
  202   2HG   GLU  25          1HG       GLU  25 -14.468   2.781  -0.133
  203    H    GLN  26           H        GLN  26  -9.807   3.787  -1.629
  204    HA   GLN  26           HA       GLN  26  -8.950   1.068  -1.639
  205   1HB   GLN  26          1HB       GLN  26  -9.080   2.997  -3.548
  206   2HB   GLN  26          1HB       GLN  26  -7.361   3.017  -3.180
  207   1HG   GLN  26          1HG       GLN  26  -7.042   1.202  -4.394
  208   2HG   GLN  26          1HG       GLN  26  -8.225   0.312  -3.438
  209   1HE2  GLN  26          1HE2      GLN  26  -7.695   2.219  -6.301
  210   2HE2  GLN  26          2HE2      GLN  26  -9.164   1.791  -7.103
  211    H    ARG  27           H        ARG  27  -7.435   4.153  -0.781
  212    HA   ARG  27           HA       ARG  27  -4.885   3.120  -0.201
  213   1HB   ARG  27          1HB       ARG  27  -5.686   5.583  -0.448
  214   2HB   ARG  27          1HB       ARG  27  -6.045   5.467   1.267
  215   1HG   ARG  27          1HG       ARG  27  -3.830   5.288   1.863
  216   2HG   ARG  27          1HG       ARG  27  -3.344   4.688   0.276
  217   1HD   ARG  27          1HD       ARG  27  -2.637   7.041   0.808
  218   2HD   ARG  27          1HD       ARG  27  -3.535   6.842  -0.695
  219    HE   ARG  27           HE       ARG  27  -5.493   7.482   0.994
  220   1HH1  ARG  27          1HH1      ARG  27  -2.343   8.919   0.529
  221   2HH1  ARG  27          2HH1      ARG  27  -2.860  10.501   1.004
  222   1HH2  ARG  27          1HH2      ARG  27  -6.170   9.563   1.613
  223   2HH2  ARG  27          2HH2      ARG  27  -5.031  10.868   1.619
  224    H    ASN  28           H        ASN  28  -7.833   3.369   1.696
  225    HA   ASN  28           HA       ASN  28  -6.608   2.644   4.175
  226   1HB   ASN  28          1HB       ASN  28  -8.740   3.907   4.049
  227   2HB   ASN  28          1HB       ASN  28  -9.520   2.484   3.364
  228   1HD2  ASN  28          1HD2      ASN  28 -10.955   2.130   4.982
  229   2HD2  ASN  28          2HD2      ASN  28 -10.502   1.674   6.586
  230    H    ALA  29           H        ALA  29  -8.579   0.908   1.766
  231    HA   ALA  29           HA       ALA  29  -8.577  -1.583   3.046
  232   1HB   ALA  29          1HB       ALA  29  -8.905  -2.471   0.668
  233   2HB   ALA  29          2HB       ALA  29  -8.848  -0.782   0.164
  234   3HB   ALA  29          3HB       ALA  29 -10.099  -1.327   1.281
  235    H    PHE  30           H        PHE  30  -6.238  -0.034   0.969
  236    HA   PHE  30           HA       PHE  30  -4.579  -2.296   0.556
  237   1HB   PHE  30          1HB       PHE  30  -4.316   0.642   0.134
  238   2HB   PHE  30          1HB       PHE  30  -2.870  -0.352   0.080
  239    HD1  PHE  30           HD1      PHE  30  -3.938  -2.801  -1.190
  240    HD2  PHE  30           HD2      PHE  30  -4.637   1.303  -2.073
  241    HE1  PHE  30           HE1      PHE  30  -4.429  -3.394  -3.523
  242    HE2  PHE  30           HE2      PHE  30  -5.133   0.715  -4.411
  243    HZ   PHE  30           HZ       PHE  30  -5.025  -1.639  -5.138
  244    H    ILE  31           H        ILE  31  -4.181   0.558   2.641
  245    HA   ILE  31           HA       ILE  31  -1.831  -0.231   3.908
  246    HB   ILE  31           HB       ILE  31  -4.122   1.390   5.022
  247   1HG1  ILE  31          1HG1      ILE  31  -1.506   2.478   4.034
  248   2HG1  ILE  31          1HG1      ILE  31  -2.797   2.109   2.895
  249   1HG2  ILE  31          1HG2      ILE  31  -1.620   2.106   6.170
  250   2HG2  ILE  31          2HG2      ILE  31  -1.852   0.369   6.367
  251   3HG2  ILE  31          3HG2      ILE  31  -3.068   1.494   6.969
  252   1HD1  ILE  31          1HD1      ILE  31  -2.434   4.455   4.347
  253   2HD1  ILE  31          2HD1      ILE  31  -3.808   3.647   5.100
  254   3HD1  ILE  31          3HD1      ILE  31  -3.832   4.003   3.373
  255    H    GLN  32           H        GLN  32  -5.185  -0.668   5.043
  256    HA   GLN  32           HA       GLN  32  -4.575  -2.176   7.315
  257   1HB   GLN  32          1HB       GLN  32  -6.758  -1.149   6.971
  258   2HB   GLN  32          1HB       GLN  32  -7.063  -2.209   5.602
  259   1HG   GLN  32          1HG       GLN  32  -8.087  -3.558   7.029
  260   2HG   GLN  32          1HG       GLN  32  -6.490  -3.957   7.658
  261   1HE2  GLN  32          1HE2      GLN  32  -6.554  -3.991   9.776
  262   2HE2  GLN  32          2HE2      GLN  32  -7.344  -2.840  10.792
  263    H    SER  33           H        SER  33  -5.595  -3.284   4.090
  264    HA   SER  33           HA       SER  33  -5.487  -6.018   4.617
  265   1HB   SER  33          1HB       SER  33  -6.574  -5.112   2.626
  266   2HB   SER  33          1HB       SER  33  -5.012  -4.598   1.992
  267    HG   SER  33           HG       SER  33  -4.449  -6.679   1.653
  268    H    LEU  34           H        LEU  34  -2.964  -3.840   3.491
  269    HA   LEU  34           HA       LEU  34  -1.020  -5.794   2.943
  270   1HB   LEU  34          1HB       LEU  34  -0.534  -3.749   1.995
  271   2HB   LEU  34          1HB       LEU  34  -1.026  -2.851   3.415
  272    HG   LEU  34           HG       LEU  34   1.451  -2.836   2.797
  273   1HD1  LEU  34          1HD1      LEU  34   1.695  -2.080   4.863
  274   2HD1  LEU  34          2HD1      LEU  34   1.551  -3.707   5.530
  275   3HD1  LEU  34          3HD1      LEU  34   0.104  -2.739   5.245
  276   1HD2  LEU  34          1HD2      LEU  34   1.963  -5.237   4.348
  277   2HD2  LEU  34          2HD2      LEU  34   2.668  -4.701   2.824
  278   3HD2  LEU  34          3HD2      LEU  34   1.139  -5.579   2.827
  279    H    LYS  35           H        LYS  35  -1.716  -3.882   5.846
  280    HA   LYS  35           HA       LYS  35   0.420  -5.031   7.345
  281   1HB   LYS  35          1HB       LYS  35  -0.479  -3.820   9.229
  282   2HB   LYS  35          1HB       LYS  35  -0.506  -2.779   7.812
  283   1HG   LYS  35          1HG       LYS  35  -2.821  -2.919   7.603
  284   2HG   LYS  35          1HG       LYS  35  -2.921  -4.351   8.628
  285   1HD   LYS  35          1HD       LYS  35  -3.510  -2.906  10.241
  286   2HD   LYS  35          1HD       LYS  35  -1.786  -2.533  10.317
  287   1HE   LYS  35          1HE       LYS  35  -2.464  -0.419   9.972
  288   2HE   LYS  35          1HE       LYS  35  -2.575  -0.922   8.285
  289   1HZ   LYS  35          1HZ       LYS  35  -4.666  -0.174   8.493
  290   2HZ   LYS  35          2HZ       LYS  35  -4.683  -0.317  10.178
  291   3HZ   LYS  35          3HZ       LYS  35  -4.962  -1.677   9.212
  292    H    ASP  36           H        ASP  36  -2.818  -5.979   6.629
  293    HA   ASP  36           HA       ASP  36  -2.982  -7.771   8.905
  294   1HB   ASP  36          1HB       ASP  36  -4.839  -6.826   6.797
  295   2HB   ASP  36          1HB       ASP  36  -5.126  -8.450   7.415
  296    H    ASP  37           H        ASP  37  -2.517  -7.941   5.407
  297    HA   ASP  37           HA       ASP  37  -2.520 -10.809   5.331
  298   1HB   ASP  37          1HB       ASP  37  -3.011  -8.889   3.501
  299   2HB   ASP  37          1HB       ASP  37  -1.332  -9.235   3.121
  300    HA   PRO  38           HA       PRO  38   1.678 -11.874   6.136
  301   1HB   PRO  38          1HB       PRO  38   1.823 -13.072   3.404
  302   2HB   PRO  38          1HB       PRO  38   2.198 -13.796   4.973
  303   1HG   PRO  38          1HG       PRO  38  -0.052 -14.430   3.747
  304   2HG   PRO  38          1HG       PRO  38  -0.054 -14.125   5.496
  305   1HD   PRO  38          1HD       PRO  38  -0.929 -12.337   3.260
  306   2HD   PRO  38          1HD       PRO  38  -1.706 -12.628   4.831
  307    H    SER  39           H        SER  39   3.503 -12.294   3.659
  308    HA   SER  39           HA       SER  39   4.448  -9.543   3.600
  309   1HB   SER  39          1HB       SER  39   6.003 -11.417   4.176
  310   2HB   SER  39          1HB       SER  39   5.809 -12.023   2.531
  311    HG   SER  39           HG       SER  39   7.646 -10.495   3.110
  312    H    GLN  40           H        GLN  40   2.109 -10.390   2.044
  313    HA   GLN  40           HA       GLN  40   2.980 -10.420  -0.716
  314   1HB   GLN  40          1HB       GLN  40   0.541 -10.983   0.732
  315   2HB   GLN  40          1HB       GLN  40   0.220  -9.941  -0.647
  316   1HG   GLN  40          1HG       GLN  40   1.190 -11.526  -2.152
  317   2HG   GLN  40          1HG       GLN  40   1.744 -12.528  -0.812
  318   1HE2  GLN  40          1HE2      GLN  40  -0.637 -12.099  -3.079
  319   2HE2  GLN  40          2HE2      GLN  40  -1.866 -13.090  -2.379
  320    H    SER  41           H        SER  41   3.699  -8.071   0.875
  321    HA   SER  41           HA       SER  41   2.041  -5.877   0.306
  322   1HB   SER  41          1HB       SER  41   3.959  -5.955   1.966
  323   2HB   SER  41          1HB       SER  41   5.048  -5.765   0.591
  324    HG   SER  41           HG       SER  41   4.696  -3.723   1.153
  325    H    ALA  42           H        ALA  42   4.987  -7.018  -1.383
  326    HA   ALA  42           HA       ALA  42   5.181  -5.174  -3.385
  327   1HB   ALA  42          1HB       ALA  42   5.858  -8.038  -3.163
  328   2HB   ALA  42          2HB       ALA  42   6.870  -6.661  -3.601
  329   3HB   ALA  42          3HB       ALA  42   5.791  -7.377  -4.797
  330    H    ASN  43           H        ASN  43   2.851  -7.805  -3.208
  331    HA   ASN  43           HA       ASN  43   1.834  -7.410  -5.848
  332   1HB   ASN  43          1HB       ASN  43   1.583  -9.417  -4.066
  333   2HB   ASN  43          1HB       ASN  43   0.061  -8.581  -3.775
  334   1HD2  ASN  43          1HD2      ASN  43   0.271 -11.173  -4.810
  335   2HD2  ASN  43          2HD2      ASN  43  -0.346 -11.165  -6.424
  336    H    LEU  44           H        LEU  44   0.961  -6.325  -2.630
  337    HA   LEU  44           HA       LEU  44  -1.422  -4.961  -3.351
  338   1HB   LEU  44          1HB       LEU  44  -0.964  -5.725  -1.080
  339   2HB   LEU  44          1HB       LEU  44   0.404  -4.642  -0.973
  340    HG   LEU  44           HG       LEU  44  -2.063  -3.242  -1.634
  341   1HD1  LEU  44          1HD1      LEU  44  -1.905  -4.770   0.958
  342   2HD1  LEU  44          2HD1      LEU  44  -3.122  -4.947  -0.306
  343   3HD1  LEU  44          3HD1      LEU  44  -3.034  -3.456   0.631
  344   1HD2  LEU  44          1HD2      LEU  44  -1.179  -2.161   0.655
  345   2HD2  LEU  44          2HD2      LEU  44  -0.491  -1.781  -0.924
  346   3HD2  LEU  44          3HD2      LEU  44   0.297  -2.965   0.118
  347    H    LEU  45           H        LEU  45   1.893  -4.256  -3.586
  348    HA   LEU  45           HA       LEU  45   1.686  -1.385  -3.635
  349   1HB   LEU  45          1HB       LEU  45   3.744  -3.028  -3.165
  350   2HB   LEU  45          1HB       LEU  45   3.968  -2.832  -4.884
  351    HG   LEU  45           HG       LEU  45   4.265  -0.464  -4.669
  352   1HD1  LEU  45          1HD1      LEU  45   2.862   0.357  -3.064
  353   2HD1  LEU  45          2HD1      LEU  45   4.388   0.381  -2.182
  354   3HD1  LEU  45          3HD1      LEU  45   3.237  -0.929  -1.917
  355   1HD2  LEU  45          1HD2      LEU  45   6.288  -1.616  -4.347
  356   2HD2  LEU  45          2HD2      LEU  45   5.842  -2.114  -2.715
  357   3HD2  LEU  45          3HD2      LEU  45   6.222  -0.424  -3.049
  358    H    ALA  46           H        ALA  46   2.548  -3.886  -5.941
  359    HA   ALA  46           HA       ALA  46   2.424  -2.327  -8.261
  360   1HB   ALA  46          1HB       ALA  46   1.769  -5.266  -8.031
  361   2HB   ALA  46          2HB       ALA  46   3.399  -4.602  -8.149
  362   3HB   ALA  46          3HB       ALA  46   2.268  -4.406  -9.488
  363    H    GLU  47           H        GLU  47  -0.053  -3.871  -6.359
  364    HA   GLU  47           HA       GLU  47  -2.146  -3.548  -8.297
  365   1HB   GLU  47          1HB       GLU  47  -1.925  -4.498  -5.517
  366   2HB   GLU  47          1HB       GLU  47  -3.469  -3.760  -5.924
  367   1HG   GLU  47          1HG       GLU  47  -3.848  -5.332  -7.669
  368   2HG   GLU  47          1HG       GLU  47  -2.209  -5.968  -7.530
  369    H    ALA  48           H        ALA  48  -1.300  -1.842  -5.307
  370    HA   ALA  48           HA       ALA  48  -3.299   0.143  -5.566
  371   1HB   ALA  48          1HB       ALA  48  -2.381   1.129  -3.695
  372   2HB   ALA  48          2HB       ALA  48  -0.731   0.703  -4.150
  373   3HB   ALA  48          3HB       ALA  48  -1.817  -0.532  -3.513
  374    H    LYS  49           H        LYS  49  -0.213  -0.329  -7.008
  375    HA   LYS  49           HA       LYS  49   0.212   2.376  -7.804
  376   1HB   LYS  49          1HB       LYS  49   2.083   0.802  -7.552
  377   2HB   LYS  49          1HB       LYS  49   1.406  -0.210  -8.818
  378   1HG   LYS  49          1HG       LYS  49   1.608   2.221 -10.060
  379   2HG   LYS  49          1HG       LYS  49   3.028   2.204  -9.012
  380   1HD   LYS  49          1HD       LYS  49   3.655   0.008  -9.940
  381   2HD   LYS  49          1HD       LYS  49   2.263   0.086 -11.022
  382   1HE   LYS  49          1HE       LYS  49   4.203   2.345 -11.018
  383   2HE   LYS  49          1HE       LYS  49   4.662   0.840 -11.814
  384   1HZ   LYS  49          1HZ       LYS  49   3.325   2.780 -13.028
  385   2HZ   LYS  49          2HZ       LYS  49   2.020   1.873 -12.451
  386   3HZ   LYS  49          3HZ       LYS  49   3.172   1.150 -13.456
  387    H    LYS  50           H        LYS  50  -0.955  -0.589  -9.372
  388    HA   LYS  50           HA       LYS  50  -1.446   0.582 -11.898
  389   1HB   LYS  50          1HB       LYS  50  -1.619  -1.975 -10.769
  390   2HB   LYS  50          1HB       LYS  50  -3.255  -1.592 -11.284
  391   1HG   LYS  50          1HG       LYS  50  -2.538  -2.456 -13.231
  392   2HG   LYS  50          1HG       LYS  50  -1.903  -0.827 -13.471
  393   1HD   LYS  50          1HD       LYS  50  -0.101  -2.554 -11.959
  394   2HD   LYS  50          1HD       LYS  50  -0.446  -3.160 -13.581
  395   1HE   LYS  50          1HE       LYS  50   0.319  -0.297 -13.118
  396   2HE   LYS  50          1HE       LYS  50   1.545  -1.556 -13.261
  397   1HZ   LYS  50          1HZ       LYS  50   0.587  -0.215 -15.337
  398   2HZ   LYS  50          2HZ       LYS  50  -0.497  -1.514 -15.331
  399   3HZ   LYS  50          3HZ       LYS  50   1.166  -1.801 -15.454
  400    H    LEU  51           H        LEU  51  -3.351   0.160  -8.985
  401    HA   LEU  51           HA       LEU  51  -5.796   1.059 -10.085
  402   1HB   LEU  51          1HB       LEU  51  -4.787   0.862  -7.256
  403   2HB   LEU  51          1HB       LEU  51  -6.390   1.460  -7.637
  404    HG   LEU  51           HG       LEU  51  -5.306  -1.314  -8.085
  405   1HD1  LEU  51          1HD1      LEU  51  -7.894  -0.766  -6.770
  406   2HD1  LEU  51          2HD1      LEU  51  -6.441  -0.303  -5.885
  407   3HD1  LEU  51          3HD1      LEU  51  -6.664  -1.975  -6.401
  408   1HD2  LEU  51          1HD2      LEU  51  -6.531  -1.225  -9.992
  409   2HD2  LEU  51          2HD2      LEU  51  -7.544   0.098  -9.413
  410   3HD2  LEU  51          3HD2      LEU  51  -7.848  -1.551  -8.865
  411    H    ASN  52           H        ASN  52  -3.324   2.700  -8.115
  412    HA   ASN  52           HA       ASN  52  -4.498   5.187  -7.995
  413   1HB   ASN  52          1HB       ASN  52  -2.422   4.307  -6.822
  414   2HB   ASN  52          1HB       ASN  52  -1.632   4.889  -8.241
  415   1HD2  ASN  52          1HD2      ASN  52  -0.743   6.778  -8.007
  416   2HD2  ASN  52          2HD2      ASN  52  -1.368   8.059  -7.042
  417    H    ASP  53           H        ASP  53  -2.467   3.789 -10.435
  418    HA   ASP  53           HA       ASP  53  -2.280   6.171 -12.014
  419   1HB   ASP  53          1HB       ASP  53  -0.640   4.255 -12.054
  420   2HB   ASP  53          1HB       ASP  53  -1.861   3.319 -12.914
  421    H    ALA  54           H        ALA  54  -4.379   3.384 -11.938
  422    HA   ALA  54           HA       ALA  54  -5.654   3.745 -14.415
  423   1HB   ALA  54          1HB       ALA  54  -6.879   2.470 -11.985
  424   2HB   ALA  54          2HB       ALA  54  -5.677   1.677 -13.003
  425   3HB   ALA  54          3HB       ALA  54  -7.237   2.141 -13.680
  426    H    GLN  55           H        GLN  55  -6.216   5.283 -11.305
  427    HA   GLN  55           HA       GLN  55  -8.668   6.478 -12.379
  428   1HB   GLN  55          1HB       GLN  55  -8.147   7.300  -9.669
  429   2HB   GLN  55          1HB       GLN  55  -9.530   6.444 -10.326
  430   1HG   GLN  55          1HG       GLN  55  -8.860   4.854  -8.889
  431   2HG   GLN  55          1HG       GLN  55  -7.764   4.423 -10.196
  432   1HE2  GLN  55          1HE2      GLN  55  -7.503   4.010  -7.362
  433   2HE2  GLN  55          2HE2      GLN  55  -6.046   4.798  -6.905
  434    H    ALA  56           H        ALA  56  -5.691   7.182 -12.850
  435    HA   ALA  56           HA       ALA  56  -5.172   9.705 -11.751
  436   1HB   ALA  56          1HB       ALA  56  -3.329   9.756 -13.097
  437   2HB   ALA  56          2HB       ALA  56  -4.185   9.080 -14.484
  438   3HB   ALA  56          3HB       ALA  56  -3.690   8.031 -13.155
  439    HA   PRO  57           HA       PRO  57  -7.501  12.796 -13.830
  440   1HB   PRO  57          1HB       PRO  57  -4.999  13.846 -15.061
  441   2HB   PRO  57          1HB       PRO  57  -6.224  14.691 -14.108
  442   1HG   PRO  57          1HG       PRO  57  -3.872  14.056 -13.035
  443   2HG   PRO  57          1HG       PRO  57  -5.368  13.933 -12.090
  444   1HD   PRO  57          1HD       PRO  57  -3.733  11.774 -13.344
  445   2HD   PRO  57          1HD       PRO  57  -4.633  11.765 -11.814
  446    H    LYS  58           H        LYS  58  -7.912  13.808 -16.015
  447    HA   LYS  58           HA       LYS  58  -7.978  11.713 -17.991
  448   1HB   LYS  58          1HB       LYS  58  -8.887  14.568 -18.340
  449   2HB   LYS  58          1HB       LYS  58  -9.414  13.154 -19.242
  450   1HG   LYS  58          1HG       LYS  58  -9.861  13.048 -16.335
  451   2HG   LYS  58          1HG       LYS  58 -10.800  14.253 -17.218
  452   1HD   LYS  58          1HD       LYS  58 -10.640  11.465 -18.273
  453   2HD   LYS  58          1HD       LYS  58 -11.709  11.812 -16.912
  454   1HE   LYS  58          1HE       LYS  58 -12.919  11.982 -19.013
  455   2HE   LYS  58          1HE       LYS  58 -12.811  13.558 -18.230
  456   1HZ   LYS  58          1HZ       LYS  58 -11.104  14.216 -19.728
  457   2HZ   LYS  58          2HZ       LYS  58 -12.367  13.582 -20.658
  458   3HZ   LYS  58          3HZ       LYS  58 -10.976  12.660 -20.381
  Start of MODEL    3
    1   1H    VAL   1          1HT       VAL   1   5.338  -1.132  19.594
    2   2H    VAL   1          2HT       VAL   1   5.057  -2.187  18.269
    3   3H    VAL   1          3HT       VAL   1   3.733  -1.476  19.098
    4    HA   VAL   1           HA       VAL   1   4.084   0.564  18.234
    5    HB   VAL   1           HB       VAL   1   6.324   0.793  16.770
    6   1HG1  VAL   1          1HG1      VAL   1   7.311   1.642  19.114
    7   2HG1  VAL   1          2HG1      VAL   1   5.612   1.468  19.554
    8   3HG1  VAL   1          3HG1      VAL   1   6.072   2.514  18.211
    9   1HG2  VAL   1          1HG2      VAL   1   8.146  -0.372  17.523
   10   2HG2  VAL   1          2HG2      VAL   1   6.892  -1.593  17.741
   11   3HG2  VAL   1          3HG2      VAL   1   7.449  -0.646  19.121
   12    H    ASP   2           H        ASP   2   6.142  -1.152  15.937
   13    HA   ASP   2           HA       ASP   2   3.956  -1.045  14.024
   14   1HB   ASP   2          1HB       ASP   2   5.717  -1.362  12.306
   15   2HB   ASP   2          1HB       ASP   2   5.990   0.066  13.300
   16    H    ASN   3           H        ASN   3   4.196  -2.878  12.286
   17    HA   ASN   3           HA       ASN   3   3.565  -5.309  13.605
   18   1HB   ASN   3          1HB       ASN   3   3.139  -4.222  11.077
   19   2HB   ASN   3          1HB       ASN   3   4.163  -5.623  10.781
   20   1HD2  ASN   3          1HD2      ASN   3   1.085  -4.675  10.856
   21   2HD2  ASN   3          2HD2      ASN   3   0.308  -6.152  11.301
   22    H    LYS   4           H        LYS   4   4.623  -7.378  12.354
   23    HA   LYS   4           HA       LYS   4   7.469  -7.235  13.021
   24   1HB   LYS   4          1HB       LYS   4   5.702  -8.993  13.937
   25   2HB   LYS   4          1HB       LYS   4   6.103  -9.822  12.439
   26   1HG   LYS   4          1HG       LYS   4   7.492 -10.704  14.149
   27   2HG   LYS   4          1HG       LYS   4   8.505  -9.704  13.106
   28   1HD   LYS   4          1HD       LYS   4   8.183  -7.834  14.750
   29   2HD   LYS   4          1HD       LYS   4   7.401  -8.999  15.820
   30   1HE   LYS   4          1HE       LYS   4   9.355  -9.868  16.466
   31   2HE   LYS   4          1HE       LYS   4   9.960  -9.944  14.811
   32   1HZ   LYS   4          1HZ       LYS   4  10.740  -7.754  14.930
   33   2HZ   LYS   4          2HZ       LYS   4  11.190  -8.443  16.407
   34   3HZ   LYS   4          3HZ       LYS   4   9.856  -7.407  16.330
   35    H    PHE   5           H        PHE   5   6.836  -6.046  10.659
   36    HA   PHE   5           HA       PHE   5   7.352  -7.962   8.517
   37   1HB   PHE   5          1HB       PHE   5   6.365  -5.151   8.655
   38   2HB   PHE   5          1HB       PHE   5   7.138  -5.697   7.171
   39    HD1  PHE   5           HD1      PHE   5   6.252  -8.026   6.281
   40    HD2  PHE   5           HD2      PHE   5   4.097  -5.420   8.863
   41    HE1  PHE   5           HE1      PHE   5   4.141  -9.074   5.573
   42    HE2  PHE   5           HE2      PHE   5   1.988  -6.464   8.167
   43    HZ   PHE   5           HZ       PHE   5   2.004  -8.292   6.517
   44    H    ASN   6           H        ASN   6   8.747  -6.661   6.682
   45    HA   ASN   6           HA       ASN   6  11.290  -5.939   7.991
   46   1HB   ASN   6          1HB       ASN   6  10.882  -8.180   6.486
   47   2HB   ASN   6          1HB       ASN   6  11.446  -7.045   5.263
   48   1HD2  ASN   6          1HD2      ASN   6  12.673  -9.452   6.515
   49   2HD2  ASN   6          2HD2      ASN   6  14.214  -8.918   7.086
   50    H    LYS   7           H        LYS   7  12.750  -5.106   5.878
   51    HA   LYS   7           HA       LYS   7  11.829  -2.485   5.475
   52   1HB   LYS   7          1HB       LYS   7  13.724  -2.351   3.818
   53   2HB   LYS   7          1HB       LYS   7  14.169  -2.866   5.438
   54   1HG   LYS   7          1HG       LYS   7  14.706  -4.973   4.776
   55   2HG   LYS   7          1HG       LYS   7  13.543  -4.974   3.450
   56   1HD   LYS   7          1HD       LYS   7  15.831  -3.088   3.284
   57   2HD   LYS   7          1HD       LYS   7  16.160  -4.803   3.032
   58   1HE   LYS   7          1HE       LYS   7  13.804  -3.866   1.595
   59   2HE   LYS   7          1HE       LYS   7  15.279  -3.024   1.124
   60   1HZ   LYS   7          1HZ       LYS   7  15.309  -5.954   1.322
   61   2HZ   LYS   7          2HZ       LYS   7  16.227  -4.936   0.332
   62   3HZ   LYS   7          3HZ       LYS   7  14.603  -5.232  -0.036
   63    H    GLU   8           H        GLU   8  11.661  -5.357   3.441
   64    HA   GLU   8           HA       GLU   8  10.904  -4.175   1.030
   65   1HB   GLU   8          1HB       GLU   8   9.806  -6.800   2.020
   66   2HB   GLU   8          1HB       GLU   8  10.130  -6.316   0.361
   67   1HG   GLU   8          1HG       GLU   8  12.041  -7.424   0.555
   68   2HG   GLU   8          1HG       GLU   8  12.590  -6.090   1.569
   69    H    GLN   9           H        GLN   9   8.841  -5.370   3.665
   70    HA   GLN   9           HA       GLN   9   6.410  -4.574   2.448
   71   1HB   GLN   9          1HB       GLN   9   6.401  -6.321   4.098
   72   2HB   GLN   9          1HB       GLN   9   7.108  -5.253   5.302
   73   1HG   GLN   9          1HG       GLN   9   4.509  -4.471   4.103
   74   2HG   GLN   9          1HG       GLN   9   4.528  -5.799   5.259
   75   1HE2  GLN   9          1HE2      GLN   9   3.159  -4.284   6.442
   76   2HE2  GLN   9          2HE2      GLN   9   3.920  -3.127   7.465
   77    H    GLN  10           H        GLN  10   8.726  -2.951   4.498
   78    HA   GLN  10           HA       GLN  10   6.943  -0.775   5.108
   79   1HB   GLN  10          1HB       GLN  10   9.857  -1.268   5.692
   80   2HB   GLN  10          1HB       GLN  10   9.043   0.228   6.125
   81   1HG   GLN  10          1HG       GLN  10   7.630  -0.865   7.657
   82   2HG   GLN  10          1HG       GLN  10   8.058  -2.456   7.034
   83   1HE2  GLN  10          1HE2      GLN  10   8.555  -3.072   9.157
   84   2HE2  GLN  10          2HE2      GLN  10  10.048  -2.612   9.884
   85    H    ASN  11           H        ASN  11   9.260  -1.549   2.643
   86    HA   ASN  11           HA       ASN  11   9.624   1.198   1.806
   87   1HB   ASN  11          1HB       ASN  11  10.919  -1.237   1.247
   88   2HB   ASN  11          1HB       ASN  11  10.126  -0.792  -0.258
   89   1HD2  ASN  11          1HD2      ASN  11  12.190  -0.530  -1.158
   90   2HD2  ASN  11          2HD2      ASN  11  13.101   0.902  -0.864
   91    H    ALA  12           H        ALA  12   7.650  -1.594   1.042
   92    HA   ALA  12           HA       ALA  12   6.285  -0.408  -1.161
   93   1HB   ALA  12          1HB       ALA  12   5.569  -2.735   0.623
   94   2HB   ALA  12          2HB       ALA  12   6.321  -2.808  -0.970
   95   3HB   ALA  12          3HB       ALA  12   4.652  -2.263  -0.807
   96    H    PHE  13           H        PHE  13   5.743  -0.699   2.309
   97    HA   PHE  13           HA       PHE  13   3.179   0.372   2.449
   98   1HB   PHE  13          1HB       PHE  13   4.497  -0.755   4.295
   99   2HB   PHE  13          1HB       PHE  13   5.325   0.786   4.513
  100    HD1  PHE  13           HD1      PHE  13   4.048   2.776   5.173
  101    HD2  PHE  13           HD2      PHE  13   2.330  -1.105   5.098
  102    HE1  PHE  13           HE1      PHE  13   2.196   3.577   6.592
  103    HE2  PHE  13           HE2      PHE  13   0.477  -0.324   6.516
  104    HZ   PHE  13           HZ       PHE  13   0.404   2.024   7.262
  105    H    TYR  14           H        TYR  14   6.323   1.956   2.659
  106    HA   TYR  14           HA       TYR  14   5.310   4.580   2.970
  107   1HB   TYR  14          1HB       TYR  14   7.915   3.331   2.517
  108   2HB   TYR  14          1HB       TYR  14   7.754   4.874   1.685
  109    HD1  TYR  14           HD1      TYR  14   8.931   6.461   2.887
  110    HD2  TYR  14           HD2      TYR  14   6.483   3.693   4.995
  111    HE1  TYR  14           HE1      TYR  14   9.411   7.646   4.987
  112    HE2  TYR  14           HE2      TYR  14   6.956   4.871   7.101
  113    HH   TYR  14           HH       TYR  14   9.399   7.262   7.363
  114    H    GLU  15           H        GLU  15   6.189   2.635   0.152
  115    HA   GLU  15           HA       GLU  15   5.928   4.595  -1.819
  116   1HB   GLU  15          1HB       GLU  15   6.284   1.801  -1.744
  117   2HB   GLU  15          1HB       GLU  15   4.856   2.073  -2.734
  118   1HG   GLU  15          1HG       GLU  15   6.785   2.006  -4.145
  119   2HG   GLU  15          1HG       GLU  15   6.158   3.654  -4.112
  120    H    ILE  16           H        ILE  16   3.549   2.609  -0.182
  121    HA   ILE  16           HA       ILE  16   1.313   3.454  -1.725
  122    HB   ILE  16           HB       ILE  16   1.820   1.792   0.661
  123   1HG1  ILE  16          1HG1      ILE  16  -0.355   1.016  -1.109
  124   2HG1  ILE  16          1HG1      ILE  16   1.118   1.385  -2.001
  125   1HG2  ILE  16          1HG2      ILE  16   0.158   2.966   1.764
  126   2HG2  ILE  16          2HG2      ILE  16  -0.758   1.675   0.987
  127   3HG2  ILE  16          3HG2      ILE  16  -0.742   3.292   0.282
  128   1HD1  ILE  16          1HD1      ILE  16   2.339  -0.196  -0.553
  129   2HD1  ILE  16          2HD1      ILE  16   1.051  -0.955  -1.489
  130   3HD1  ILE  16          3HD1      ILE  16   0.813  -0.613   0.225
  131    H    LEU  17           H        LEU  17   2.771   4.374   1.343
  132    HA   LEU  17           HA       LEU  17   0.760   6.152   2.197
  133   1HB   LEU  17          1HB       LEU  17   3.558   5.570   2.920
  134   2HB   LEU  17          1HB       LEU  17   3.011   7.190   3.307
  135    HG   LEU  17           HG       LEU  17   1.714   4.630   4.245
  136   1HD1  LEU  17          1HD1      LEU  17   3.559   4.721   5.576
  137   2HD1  LEU  17          2HD1      LEU  17   2.494   5.791   6.488
  138   3HD1  LEU  17          3HD1      LEU  17   3.724   6.470   5.421
  139   1HD2  LEU  17          1HD2      LEU  17  -0.032   5.819   4.953
  140   2HD2  LEU  17          2HD2      LEU  17   0.553   7.124   3.921
  141   3HD2  LEU  17          3HD2      LEU  17   1.003   7.079   5.626
  142    H    HIS  18           H        HIS  18   3.070   6.381  -0.308
  143    HA   HIS  18           HA       HIS  18   3.070   9.292  -0.298
  144   1HB   HIS  18          1HB       HIS  18   5.176   8.057  -0.652
  145   2HB   HIS  18          1HB       HIS  18   4.510   7.376  -2.132
  146    HD1  HIS  18           HD1      HIS  18   5.938   8.472  -3.866
  147    HD2  HIS  18           HD2      HIS  18   4.385  11.197  -1.141
  148    HE1  HIS  18           HE1      HIS  18   6.544  10.741  -4.765
  149    HE2  HIS  18           HE2      HIS  18   5.652  12.373  -3.065
  150    H    LEU  19           H        LEU  19   0.985   7.019  -1.582
  151    HA   LEU  19           HA       LEU  19   0.702   8.094  -4.201
  152   1HB   LEU  19          1HB       LEU  19  -1.650   6.801  -2.928
  153   2HB   LEU  19          1HB       LEU  19  -1.017   6.638  -4.535
  154    HG   LEU  19           HG       LEU  19   0.734   5.506  -2.512
  155   1HD1  LEU  19          1HD1      LEU  19  -1.627   3.817  -3.050
  156   2HD1  LEU  19          2HD1      LEU  19  -1.834   5.110  -1.869
  157   3HD1  LEU  19          3HD1      LEU  19  -0.588   3.887  -1.629
  158   1HD2  LEU  19          1HD2      LEU  19  -0.405   3.902  -4.699
  159   2HD2  LEU  19          2HD2      LEU  19   1.270   4.090  -4.180
  160   3HD2  LEU  19          3HD2      LEU  19   0.513   5.330  -5.180
  161    HA   PRO  20           HA       PRO  20  -1.355  11.790  -2.728
  162   1HB   PRO  20          1HB       PRO  20  -1.289  13.173  -5.008
  163   2HB   PRO  20          1HB       PRO  20   0.177  12.849  -4.074
  164   1HG   PRO  20          1HG       PRO  20  -0.854  11.464  -6.521
  165   2HG   PRO  20          1HG       PRO  20   0.800  11.976  -6.139
  166   1HD   PRO  20          1HD       PRO  20  -0.122   9.414  -5.817
  167   2HD   PRO  20          1HD       PRO  20   1.215  10.110  -4.882
  168    H    ASN  21           H        ASN  21  -2.542   9.963  -5.531
  169    HA   ASN  21           HA       ASN  21  -5.137  11.279  -5.153
  170   1HB   ASN  21          1HB       ASN  21  -5.678  10.703  -7.459
  171   2HB   ASN  21          1HB       ASN  21  -4.177  11.614  -7.389
  172   1HD2  ASN  21          1HD2      ASN  21  -3.245  10.943  -9.172
  173   2HD2  ASN  21          2HD2      ASN  21  -2.798   9.313  -9.482
  174    H    LEU  22           H        LEU  22  -4.247   9.133  -3.522
  175    HA   LEU  22           HA       LEU  22  -5.852   6.850  -4.383
  176   1HB   LEU  22          1HB       LEU  22  -3.422   6.860  -3.312
  177   2HB   LEU  22          1HB       LEU  22  -4.347   6.877  -1.822
  178    HG   LEU  22           HG       LEU  22  -5.603   4.913  -3.178
  179   1HD1  LEU  22          1HD1      LEU  22  -2.801   5.049  -4.171
  180   2HD1  LEU  22          2HD1      LEU  22  -4.284   4.641  -5.035
  181   3HD1  LEU  22          3HD1      LEU  22  -3.561   3.476  -3.925
  182   1HD2  LEU  22          1HD2      LEU  22  -3.507   3.624  -1.834
  183   2HD2  LEU  22          2HD2      LEU  22  -5.112   4.007  -1.214
  184   3HD2  LEU  22          3HD2      LEU  22  -3.783   5.140  -0.975
  185    H    ASN  23           H        ASN  23  -7.650   6.159  -3.308
  186    HA   ASN  23           HA       ASN  23  -8.899   8.100  -1.542
  187   1HB   ASN  23          1HB       ASN  23  -9.900   5.541  -2.803
  188   2HB   ASN  23          1HB       ASN  23 -10.866   6.512  -1.698
  189   1HD2  ASN  23          1HD2      ASN  23 -11.532   5.897  -4.357
  190   2HD2  ASN  23          2HD2      ASN  23 -11.585   7.375  -5.244
  191    H    GLU  24           H        GLU  24  -9.662   7.653   0.545
  192    HA   GLU  24           HA       GLU  24  -7.937   6.319   2.224
  193   1HB   GLU  24          1HB       GLU  24 -10.779   7.223   2.579
  194   2HB   GLU  24          1HB       GLU  24  -9.890   6.450   3.884
  195   1HG   GLU  24          1HG       GLU  24  -8.803   8.850   2.460
  196   2HG   GLU  24          1HG       GLU  24  -9.942   9.004   3.797
  197    H    GLU  25           H        GLU  25 -11.021   5.200   0.905
  198    HA   GLU  25           HA       GLU  25 -11.241   2.814   2.319
  199   1HB   GLU  25          1HB       GLU  25 -12.116   3.415  -0.511
  200   2HB   GLU  25          1HB       GLU  25 -12.652   2.034   0.435
  201   1HG   GLU  25          1HG       GLU  25 -14.386   3.406   0.864
  202   2HG   GLU  25          1HG       GLU  25 -13.308   3.973   2.138
  203    H    GLN  26           H        GLN  26  -9.498   3.514  -0.672
  204    HA   GLN  26           HA       GLN  26  -8.689   0.803  -1.069
  205   1HB   GLN  26          1HB       GLN  26  -8.019   3.420  -2.363
  206   2HB   GLN  26          1HB       GLN  26  -7.037   2.002  -2.704
  207   1HG   GLN  26          1HG       GLN  26  -8.521   1.284  -4.173
  208   2HG   GLN  26          1HG       GLN  26  -9.788   1.299  -2.948
  209   1HE2  GLN  26          1HE2      GLN  26  -7.924   3.879  -4.510
  210   2HE2  GLN  26          2HE2      GLN  26  -9.295   4.753  -5.095
  211    H    ARG  27           H        ARG  27  -7.027   3.761   0.002
  212    HA   ARG  27           HA       ARG  27  -4.522   2.597   0.452
  213   1HB   ARG  27          1HB       ARG  27  -5.254   5.095   0.459
  214   2HB   ARG  27          1HB       ARG  27  -5.571   4.826   2.163
  215   1HG   ARG  27          1HG       ARG  27  -3.352   4.560   2.681
  216   2HG   ARG  27          1HG       ARG  27  -2.924   4.049   1.047
  217   1HD   ARG  27          1HD       ARG  27  -2.115   6.137   0.860
  218   2HD   ARG  27          1HD       ARG  27  -3.800   6.569   0.581
  219    HE   ARG  27           HE       ARG  27  -2.216   7.134   2.933
  220   1HH1  ARG  27          1HH1      ARG  27  -5.428   6.927   1.576
  221   2HH1  ARG  27          2HH1      ARG  27  -6.131   7.968   2.766
  222   1HH2  ARG  27          1HH2      ARG  27  -3.143   8.501   4.498
  223   2HH2  ARG  27          2HH2      ARG  27  -4.836   8.861   4.424
  224    H    ASN  28           H        ASN  28  -7.441   2.653   2.376
  225    HA   ASN  28           HA       ASN  28  -6.185   1.710   4.771
  226   1HB   ASN  28          1HB       ASN  28  -9.004   2.166   3.873
  227   2HB   ASN  28          1HB       ASN  28  -8.717   1.153   5.284
  228   1HD2  ASN  28          1HD2      ASN  28  -9.989   3.792   5.017
  229   2HD2  ASN  28          2HD2      ASN  28  -9.133   4.830   6.100
  230    H    ALA  29           H        ALA  29  -8.308   0.250   2.299
  231    HA   ALA  29           HA       ALA  29  -8.292  -2.354   3.312
  232   1HB   ALA  29          1HB       ALA  29  -9.547  -1.182   1.255
  233   2HB   ALA  29          2HB       ALA  29  -9.404  -2.932   1.419
  234   3HB   ALA  29          3HB       ALA  29  -8.295  -2.051   0.368
  235    H    PHE  30           H        PHE  30  -5.992  -0.631   1.338
  236    HA   PHE  30           HA       PHE  30  -4.383  -2.867   0.648
  237   1HB   PHE  30          1HB       PHE  30  -4.093   0.096   0.497
  238   2HB   PHE  30          1HB       PHE  30  -2.663  -0.905   0.301
  239    HD1  PHE  30           HD1      PHE  30  -4.551   0.954  -1.608
  240    HD2  PHE  30           HD2      PHE  30  -3.728  -3.198  -1.175
  241    HE1  PHE  30           HE1      PHE  30  -5.127   0.593  -3.974
  242    HE2  PHE  30           HE2      PHE  30  -4.300  -3.566  -3.535
  243    HZ   PHE  30           HZ       PHE  30  -4.996  -1.672  -4.940
  244    H    ILE  31           H        ILE  31  -3.865  -0.213   2.971
  245    HA   ILE  31           HA       ILE  31  -1.504  -1.192   4.090
  246    HB   ILE  31           HB       ILE  31  -3.691   0.453   5.365
  247   1HG1  ILE  31          1HG1      ILE  31  -0.999   1.412   4.424
  248   2HG1  ILE  31          1HG1      ILE  31  -2.363   1.296   3.317
  249   1HG2  ILE  31          1HG2      ILE  31  -2.655   0.253   7.316
  250   2HG2  ILE  31          2HG2      ILE  31  -1.205   0.958   6.603
  251   3HG2  ILE  31          3HG2      ILE  31  -1.433  -0.790   6.591
  252   1HD1  ILE  31          1HD1      ILE  31  -3.374   3.106   4.177
  253   2HD1  ILE  31          2HD1      ILE  31  -1.747   3.494   4.736
  254   3HD1  ILE  31          3HD1      ILE  31  -2.894   2.722   5.830
  255    H    GLN  32           H        GLN  32  -4.861  -1.637   5.203
  256    HA   GLN  32           HA       GLN  32  -4.248  -3.329   7.356
  257   1HB   GLN  32          1HB       GLN  32  -6.414  -2.187   7.097
  258   2HB   GLN  32          1HB       GLN  32  -6.785  -3.209   5.716
  259   1HG   GLN  32          1HG       GLN  32  -7.947  -4.068   7.602
  260   2HG   GLN  32          1HG       GLN  32  -6.639  -5.185   7.217
  261   1HE2  GLN  32          1HE2      GLN  32  -8.225  -3.958   9.695
  262   2HE2  GLN  32          2HE2      GLN  32  -6.980  -3.889  10.889
  263    H    SER  33           H        SER  33  -5.421  -4.147   4.086
  264    HA   SER  33           HA       SER  33  -5.369  -6.910   4.362
  265   1HB   SER  33          1HB       SER  33  -6.438  -5.853   2.455
  266   2HB   SER  33          1HB       SER  33  -4.882  -5.256   1.881
  267    HG   SER  33           HG       SER  33  -6.023  -7.710   1.573
  268    H    LEU  34           H        LEU  34  -2.788  -4.702   3.445
  269    HA   LEU  34           HA       LEU  34  -0.895  -6.692   2.777
  270   1HB   LEU  34          1HB       LEU  34  -0.383  -4.623   1.881
  271   2HB   LEU  34          1HB       LEU  34  -0.827  -3.762   3.339
  272    HG   LEU  34           HG       LEU  34   1.635  -3.777   2.695
  273   1HD1  LEU  34          1HD1      LEU  34   0.367  -3.612   5.105
  274   2HD1  LEU  34          2HD1      LEU  34   2.073  -3.263   4.823
  275   3HD1  LEU  34          3HD1      LEU  34   1.583  -4.854   5.407
  276   1HD2  LEU  34          1HD2      LEU  34   2.758  -5.684   2.517
  277   2HD2  LEU  34          2HD2      LEU  34   1.224  -6.542   2.665
  278   3HD2  LEU  34          3HD2      LEU  34   2.200  -6.224   4.100
  279    H    LYS  35           H        LYS  35  -1.755  -5.013   5.737
  280    HA   LYS  35           HA       LYS  35   0.421  -6.087   7.244
  281   1HB   LYS  35          1HB       LYS  35  -1.966  -4.407   7.840
  282   2HB   LYS  35          1HB       LYS  35  -1.173  -5.229   9.176
  283   1HG   LYS  35          1HG       LYS  35   0.711  -3.956   9.027
  284   2HG   LYS  35          1HG       LYS  35   0.517  -3.674   7.295
  285   1HD   LYS  35          1HD       LYS  35  -0.020  -1.600   8.116
  286   2HD   LYS  35          1HD       LYS  35  -1.616  -2.351   8.082
  287   1HE   LYS  35          1HE       LYS  35  -1.659  -2.661  10.383
  288   2HE   LYS  35          1HE       LYS  35   0.094  -2.540  10.530
  289   1HZ   LYS  35          1HZ       LYS  35  -1.381  -0.576  11.273
  290   2HZ   LYS  35          2HZ       LYS  35  -1.466  -0.214   9.623
  291   3HZ   LYS  35          3HZ       LYS  35   0.034  -0.256  10.402
  292    H    ASP  36           H        ASP  36  -2.769  -7.138   6.433
  293    HA   ASP  36           HA       ASP  36  -2.839  -9.085   8.588
  294   1HB   ASP  36          1HB       ASP  36  -4.769  -8.095   6.554
  295   2HB   ASP  36          1HB       ASP  36  -4.993  -9.740   7.141
  296    H    ASP  37           H        ASP  37  -2.442  -8.979   5.081
  297    HA   ASP  37           HA       ASP  37  -2.335 -11.832   4.794
  298   1HB   ASP  37          1HB       ASP  37  -2.938  -9.799   3.122
  299   2HB   ASP  37          1HB       ASP  37  -1.259 -10.060   2.681
  300    HA   PRO  38           HA       PRO  38   1.920 -12.783   5.428
  301   1HB   PRO  38          1HB       PRO  38   2.065 -13.712   2.592
  302   2HB   PRO  38          1HB       PRO  38   2.513 -14.559   4.079
  303   1HG   PRO  38          1HG       PRO  38   0.268 -15.191   2.845
  304   2HG   PRO  38          1HG       PRO  38   0.290 -15.043   4.615
  305   1HD   PRO  38          1HD       PRO  38  -0.718 -13.109   2.564
  306   2HD   PRO  38          1HD       PRO  38  -1.445 -13.576   4.116
  307    H    SER  39           H        SER  39   3.708 -12.883   2.882
  308    HA   SER  39           HA       SER  39   4.540 -10.103   3.084
  309   1HB   SER  39          1HB       SER  39   5.987 -12.413   3.142
  310   2HB   SER  39          1HB       SER  39   6.165 -11.943   1.452
  311    HG   SER  39           HG       SER  39   6.981 -10.591   3.775
  312    H    GLN  40           H        GLN  40   2.197 -10.882   1.505
  313    HA   GLN  40           HA       GLN  40   2.952 -10.665  -1.267
  314   1HB   GLN  40          1HB       GLN  40   0.208 -10.421  -0.025
  315   2HB   GLN  40          1HB       GLN  40   0.570 -10.721  -1.718
  316   1HG   GLN  40          1HG       GLN  40   1.765 -12.832  -0.869
  317   2HG   GLN  40          1HG       GLN  40   0.861 -12.559   0.620
  318   1HE2  GLN  40          1HE2      GLN  40   0.705 -14.736  -1.344
  319   2HE2  GLN  40          2HE2      GLN  40  -0.942 -14.781  -1.863
  320    H    SER  41           H        SER  41   3.958  -8.487   0.189
  321    HA   SER  41           HA       SER  41   2.266  -6.219  -0.057
  322   1HB   SER  41          1HB       SER  41   4.065  -4.947   0.773
  323   2HB   SER  41          1HB       SER  41   4.273  -6.528   1.525
  324    HG   SER  41           HG       SER  41   6.043  -6.839   0.404
  325    H    ALA  42           H        ALA  42   5.184  -7.210  -1.889
  326    HA   ALA  42           HA       ALA  42   5.328  -5.193  -3.717
  327   1HB   ALA  42          1HB       ALA  42   6.027  -8.065  -3.784
  328   2HB   ALA  42          2HB       ALA  42   7.034  -6.643  -4.057
  329   3HB   ALA  42          3HB       ALA  42   5.967  -7.226  -5.334
  330    H    ASN  43           H        ASN  43   3.019  -7.859  -3.772
  331    HA   ASN  43           HA       ASN  43   2.003  -7.154  -6.362
  332   1HB   ASN  43          1HB       ASN  43   0.077  -8.676  -5.689
  333   2HB   ASN  43          1HB       ASN  43   1.673  -9.417  -5.731
  334   1HD2  ASN  43          1HD2      ASN  43  -0.969  -8.407  -3.755
  335   2HD2  ASN  43          2HD2      ASN  43  -0.428  -9.141  -2.288
  336    H    LEU  44           H        LEU  44   1.180  -6.464  -3.036
  337    HA   LEU  44           HA       LEU  44  -1.264  -5.107  -3.545
  338   1HB   LEU  44          1HB       LEU  44  -0.709  -6.074  -1.369
  339   2HB   LEU  44          1HB       LEU  44   0.634  -4.967  -1.204
  340    HG   LEU  44           HG       LEU  44  -1.838  -3.530  -1.653
  341   1HD1  LEU  44          1HD1      LEU  44  -2.952  -5.360  -0.595
  342   2HD1  LEU  44          2HD1      LEU  44  -2.814  -4.052   0.580
  343   3HD1  LEU  44          3HD1      LEU  44  -1.729  -5.439   0.674
  344   1HD2  LEU  44          1HD2      LEU  44  -0.332  -2.160  -0.699
  345   2HD2  LEU  44          2HD2      LEU  44   0.518  -3.480   0.103
  346   3HD2  LEU  44          3HD2      LEU  44  -0.960  -2.825   0.808
  347    H    LEU  45           H        LEU  45   2.023  -4.324  -3.822
  348    HA   LEU  45           HA       LEU  45   1.796  -1.463  -3.610
  349   1HB   LEU  45          1HB       LEU  45   3.878  -3.127  -3.369
  350   2HB   LEU  45          1HB       LEU  45   4.030  -2.781  -5.072
  351    HG   LEU  45           HG       LEU  45   4.325  -0.436  -4.658
  352   1HD1  LEU  45          1HD1      LEU  45   2.989   0.206  -2.913
  353   2HD1  LEU  45          2HD1      LEU  45   4.569   0.193  -2.130
  354   3HD1  LEU  45          3HD1      LEU  45   3.461  -1.160  -1.903
  355   1HD2  LEU  45          1HD2      LEU  45   6.397  -0.481  -3.319
  356   2HD2  LEU  45          2HD2      LEU  45   6.323  -1.782  -4.507
  357   3HD2  LEU  45          3HD2      LEU  45   6.003  -2.122  -2.806
  358    H    ALA  46           H        ALA  46   2.591  -3.743  -6.157
  359    HA   ALA  46           HA       ALA  46   2.364  -1.987  -8.324
  360   1HB   ALA  46          1HB       ALA  46   2.730  -3.806  -9.614
  361   2HB   ALA  46          2HB       ALA  46   1.478  -4.756  -8.815
  362   3HB   ALA  46          3HB       ALA  46   3.068  -4.589  -8.070
  363    H    GLU  47           H        GLU  47  -0.028  -3.705  -6.466
  364    HA   GLU  47           HA       GLU  47  -2.195  -3.242  -8.294
  365   1HB   GLU  47          1HB       GLU  47  -1.861  -4.441  -5.620
  366   2HB   GLU  47          1HB       GLU  47  -3.432  -3.705  -5.914
  367   1HG   GLU  47          1HG       GLU  47  -3.796  -5.111  -7.822
  368   2HG   GLU  47          1HG       GLU  47  -2.160  -5.758  -7.710
  369    H    ALA  48           H        ALA  48  -1.241  -1.784  -5.204
  370    HA   ALA  48           HA       ALA  48  -3.295   0.170  -5.242
  371   1HB   ALA  48          1HB       ALA  48  -0.681   0.038  -3.746
  372   2HB   ALA  48          2HB       ALA  48  -2.291  -0.349  -3.138
  373   3HB   ALA  48          3HB       ALA  48  -1.870   1.321  -3.519
  374    H    LYS  49           H        LYS  49  -0.258  -0.143  -6.801
  375    HA   LYS  49           HA       LYS  49   0.128   2.628  -7.358
  376   1HB   LYS  49          1HB       LYS  49   2.019   1.057  -7.304
  377   2HB   LYS  49          1HB       LYS  49   1.313   0.156  -8.636
  378   1HG   LYS  49          1HG       LYS  49   2.637   1.394  -9.933
  379   2HG   LYS  49          1HG       LYS  49   1.452   2.676  -9.676
  380   1HD   LYS  49          1HD       LYS  49   3.075   3.902  -8.772
  381   2HD   LYS  49          1HD       LYS  49   3.132   2.750  -7.437
  382   1HE   LYS  49          1HE       LYS  49   5.312   2.672  -8.121
  383   2HE   LYS  49          1HE       LYS  49   4.632   1.389  -9.121
  384   1HZ   LYS  49          1HZ       LYS  49   6.051   3.515 -10.027
  385   2HZ   LYS  49          2HZ       LYS  49   4.456   3.980 -10.342
  386   3HZ   LYS  49          3HZ       LYS  49   5.052   2.528 -10.972
  387    H    LYS  50           H        LYS  50  -1.061  -0.196  -9.181
  388    HA   LYS  50           HA       LYS  50  -1.641   1.270 -11.537
  389   1HB   LYS  50          1HB       LYS  50  -3.213  -0.700 -11.998
  390   2HB   LYS  50          1HB       LYS  50  -1.496  -1.040 -11.885
  391   1HG   LYS  50          1HG       LYS  50  -2.287  -2.748 -10.631
  392   2HG   LYS  50          1HG       LYS  50  -2.162  -1.538  -9.362
  393   1HD   LYS  50          1HD       LYS  50  -4.290  -2.237  -8.991
  394   2HD   LYS  50          1HD       LYS  50  -4.609  -0.961 -10.165
  395   1HE   LYS  50          1HE       LYS  50  -4.044  -3.644 -11.262
  396   2HE   LYS  50          1HE       LYS  50  -5.566  -3.463 -10.391
  397   1HZ   LYS  50          1HZ       LYS  50  -6.441  -2.334 -12.075
  398   2HZ   LYS  50          2HZ       LYS  50  -5.100  -2.790 -12.999
  399   3HZ   LYS  50          3HZ       LYS  50  -5.106  -1.301 -12.198
  400    H    LEU  51           H        LEU  51  -3.476   0.393  -8.683
  401    HA   LEU  51           HA       LEU  51  -5.966   1.363  -9.563
  402   1HB   LEU  51          1HB       LEU  51  -4.820   0.934  -6.813
  403   2HB   LEU  51          1HB       LEU  51  -6.445   1.545  -7.054
  404    HG   LEU  51           HG       LEU  51  -5.358  -1.169  -7.756
  405   1HD1  LEU  51          1HD1      LEU  51  -6.763  -1.977  -6.157
  406   2HD1  LEU  51          2HD1      LEU  51  -7.930  -0.671  -6.361
  407   3HD1  LEU  51          3HD1      LEU  51  -6.434  -0.385  -5.473
  408   1HD2  LEU  51          1HD2      LEU  51  -6.582  -0.667  -9.691
  409   2HD2  LEU  51          2HD2      LEU  51  -7.823   0.201  -8.788
  410   3HD2  LEU  51          3HD2      LEU  51  -7.712  -1.555  -8.668
  411    H    ASN  52           H        ASN  52  -3.419   2.922  -7.616
  412    HA   ASN  52           HA       ASN  52  -4.696   5.339  -7.244
  413   1HB   ASN  52          1HB       ASN  52  -2.542   4.450  -6.198
  414   2HB   ASN  52          1HB       ASN  52  -1.829   5.206  -7.578
  415   1HD2  ASN  52          1HD2      ASN  52  -0.983   7.075  -7.104
  416   2HD2  ASN  52          2HD2      ASN  52  -1.682   8.244  -6.048
  417    H    ASP  53           H        ASP  53  -2.548   4.309  -9.791
  418    HA   ASP  53           HA       ASP  53  -2.531   6.775 -11.190
  419   1HB   ASP  53          1HB       ASP  53  -0.877   4.871 -11.442
  420   2HB   ASP  53          1HB       ASP  53  -2.111   4.035 -12.383
  421    H    ALA  54           H        ALA  54  -4.581   3.945 -11.317
  422    HA   ALA  54           HA       ALA  54  -5.946   4.502 -13.701
  423   1HB   ALA  54          1HB       ALA  54  -7.468   2.827 -13.074
  424   2HB   ALA  54          2HB       ALA  54  -7.167   3.083 -11.355
  425   3HB   ALA  54          3HB       ALA  54  -5.925   2.347 -12.368
  426    H    GLN  55           H        GLN  55  -6.360   5.839 -10.486
  427    HA   GLN  55           HA       GLN  55  -8.857   7.104 -11.349
  428   1HB   GLN  55          1HB       GLN  55  -8.030   7.775  -8.639
  429   2HB   GLN  55          1HB       GLN  55  -9.553   7.121  -9.217
  430   1HG   GLN  55          1HG       GLN  55  -9.012   5.289  -8.086
  431   2HG   GLN  55          1HG       GLN  55  -7.857   4.961  -9.371
  432   1HE2  GLN  55          1HE2      GLN  55  -7.539   4.011  -6.836
  433   2HE2  GLN  55          2HE2      GLN  55  -6.176   4.775  -6.123
  434    H    ALA  56           H        ALA  56  -6.107   7.824 -12.250
  435    HA   ALA  56           HA       ALA  56  -5.548  10.384 -11.066
  436   1HB   ALA  56          1HB       ALA  56  -4.384   8.819 -13.337
  437   2HB   ALA  56          2HB       ALA  56  -3.631   9.317 -11.822
  438   3HB   ALA  56          3HB       ALA  56  -3.942  10.508 -13.084
  439    HA   PRO  57           HA       PRO  57  -7.845  13.234 -13.497
  440   1HB   PRO  57          1HB       PRO  57  -5.306  14.416 -14.498
  441   2HB   PRO  57          1HB       PRO  57  -6.661  15.193 -13.673
  442   1HG   PRO  57          1HG       PRO  57  -4.378  14.724 -12.387
  443   2HG   PRO  57          1HG       PRO  57  -5.941  14.519 -11.573
  444   1HD   PRO  57          1HD       PRO  57  -4.083  12.448 -12.663
  445   2HD   PRO  57          1HD       PRO  57  -5.078  12.410 -11.192
  446    H    LYS  58           H        LYS  58  -8.715  13.369 -15.514
  447    HA   LYS  58           HA       LYS  58  -7.480  11.723 -17.583
  448   1HB   LYS  58          1HB       LYS  58  -9.646  11.762 -18.676
  449   2HB   LYS  58          1HB       LYS  58  -9.841  11.316 -16.987
  450   1HG   LYS  58          1HG       LYS  58 -11.483  12.834 -17.013
  451   2HG   LYS  58          1HG       LYS  58 -10.170  14.002 -16.850
  452   1HD   LYS  58          1HD       LYS  58 -11.345  14.859 -18.645
  453   2HD   LYS  58          1HD       LYS  58 -10.112  13.889 -19.452
  454   1HE   LYS  58          1HE       LYS  58 -12.511  12.370 -18.796
  455   2HE   LYS  58          1HE       LYS  58 -12.832  13.733 -19.867
  456   1HZ   LYS  58          1HZ       LYS  58 -10.621  11.852 -20.413
  457   2HZ   LYS  58          2HZ       LYS  58 -11.412  12.893 -21.485
  458   3HZ   LYS  58          3HZ       LYS  58 -12.201  11.511 -20.913
  Start of MODEL    4
    1   1H    VAL   1          1HT       VAL   1  13.568  -7.066  12.974
    2   2H    VAL   1          2HT       VAL   1  14.127  -7.312  14.578
    3   3H    VAL   1          3HT       VAL   1  15.170  -7.608  13.248
    4    HA   VAL   1           HA       VAL   1  15.380  -5.472  14.600
    5    HB   VAL   1           HB       VAL   1  15.895  -4.230  12.407
    6   1HG1  VAL   1          1HG1      VAL   1  17.815  -5.852  11.928
    7   2HG1  VAL   1          2HG1      VAL   1  17.148  -6.825  13.240
    8   3HG1  VAL   1          3HG1      VAL   1  17.697  -5.178  13.554
    9   1HG2  VAL   1          1HG2      VAL   1  14.906  -6.861  11.373
   10   2HG2  VAL   1          2HG2      VAL   1  16.147  -5.962  10.502
   11   3HG2  VAL   1          3HG2      VAL   1  14.567  -5.232  10.789
   12    H    ASP   2           H        ASP   2  12.997  -5.514  11.942
   13    HA   ASP   2           HA       ASP   2  12.009  -2.919  12.473
   14   1HB   ASP   2          1HB       ASP   2  11.769  -4.560  10.387
   15   2HB   ASP   2          1HB       ASP   2  10.241  -4.921  11.182
   16    H    ASN   3           H        ASN   3   9.345  -2.962  12.685
   17    HA   ASN   3           HA       ASN   3   8.923  -3.595  15.421
   18   1HB   ASN   3          1HB       ASN   3   6.553  -2.852  14.919
   19   2HB   ASN   3          1HB       ASN   3   7.808  -1.677  14.543
   20   1HD2  ASN   3          1HD2      ASN   3   5.002  -2.655  13.479
   21   2HD2  ASN   3          2HD2      ASN   3   5.211  -2.524  11.769
   22    H    LYS   4           H        LYS   4   6.006  -4.426  14.082
   23    HA   LYS   4           HA       LYS   4   6.445  -7.236  14.658
   24   1HB   LYS   4          1HB       LYS   4   4.193  -5.417  14.689
   25   2HB   LYS   4          1HB       LYS   4   3.801  -6.872  13.783
   26   1HG   LYS   4          1HG       LYS   4   3.192  -7.028  16.158
   27   2HG   LYS   4          1HG       LYS   4   4.362  -8.257  15.672
   28   1HD   LYS   4          1HD       LYS   4   5.885  -6.063  16.512
   29   2HD   LYS   4          1HD       LYS   4   4.581  -6.206  17.690
   30   1HE   LYS   4          1HE       LYS   4   5.700  -8.790  17.015
   31   2HE   LYS   4          1HE       LYS   4   6.936  -7.683  17.612
   32   1HZ   LYS   4          1HZ       LYS   4   5.606  -9.107  19.278
   33   2HZ   LYS   4          2HZ       LYS   4   4.384  -7.959  19.056
   34   3HZ   LYS   4          3HZ       LYS   4   5.896  -7.480  19.643
   35    H    PHE   5           H        PHE   5   5.769  -5.124  11.961
   36    HA   PHE   5           HA       PHE   5   5.482  -7.346  10.096
   37   1HB   PHE   5          1HB       PHE   5   5.326  -4.348   9.743
   38   2HB   PHE   5          1HB       PHE   5   5.148  -5.502   8.424
   39    HD1  PHE   5           HD1      PHE   5   3.579  -4.007  11.341
   40    HD2  PHE   5           HD2      PHE   5   3.206  -6.982   8.326
   41    HE1  PHE   5           HE1      PHE   5   1.184  -4.231  11.861
   42    HE2  PHE   5           HE2      PHE   5   0.812  -7.211   8.838
   43    HZ   PHE   5           HZ       PHE   5  -0.202  -5.836  10.606
   44    H    ASN   6           H        ASN   6   6.698  -6.583   7.849
   45    HA   ASN   6           HA       ASN   6   9.542  -6.508   8.600
   46   1HB   ASN   6          1HB       ASN   6   9.966  -7.584   6.419
   47   2HB   ASN   6          1HB       ASN   6   8.881  -8.541   7.424
   48   1HD2  ASN   6          1HD2      ASN   6   9.368  -8.042   4.412
   49   2HD2  ASN   6          2HD2      ASN   6   7.766  -7.886   3.785
   50    H    LYS   7           H        LYS   7  11.005  -5.504   6.965
   51    HA   LYS   7           HA       LYS   7  10.452  -2.810   6.635
   52   1HB   LYS   7          1HB       LYS   7  12.367  -4.358   4.915
   53   2HB   LYS   7          1HB       LYS   7  12.458  -2.669   5.392
   54   1HG   LYS   7          1HG       LYS   7  13.795  -3.296   7.042
   55   2HG   LYS   7          1HG       LYS   7  12.399  -4.073   7.789
   56   1HD   LYS   7          1HD       LYS   7  14.252  -5.639   7.604
   57   2HD   LYS   7          1HD       LYS   7  12.911  -6.143   6.574
   58   1HE   LYS   7          1HE       LYS   7  14.425  -4.525   4.925
   59   2HE   LYS   7          1HE       LYS   7  15.633  -5.397   5.867
   60   1HZ   LYS   7          1HZ       LYS   7  14.798  -7.454   5.134
   61   2HZ   LYS   7          2HZ       LYS   7  14.880  -6.488   3.748
   62   3HZ   LYS   7          3HZ       LYS   7  13.390  -6.763   4.498
   63    H    GLU   8           H        GLU   8  10.419  -5.355   4.138
   64    HA   GLU   8           HA       GLU   8   9.694  -3.838   1.956
   65   1HB   GLU   8          1HB       GLU   8   8.597  -6.593   2.513
   66   2HB   GLU   8          1HB       GLU   8   8.892  -5.853   0.945
   67   1HG   GLU   8          1HG       GLU   8  11.323  -5.871   2.436
   68   2HG   GLU   8          1HG       GLU   8  10.614  -7.485   2.462
   69    H    GLN   9           H        GLN   9   7.706  -4.952   4.600
   70    HA   GLN   9           HA       GLN   9   5.225  -4.260   3.362
   71   1HB   GLN   9          1HB       GLN   9   5.234  -6.043   4.970
   72   2HB   GLN   9          1HB       GLN   9   5.964  -5.009   6.189
   73   1HG   GLN   9          1HG       GLN   9   3.346  -4.189   5.072
   74   2HG   GLN   9          1HG       GLN   9   3.382  -5.562   6.173
   75   1HE2  GLN   9          1HE2      GLN   9   2.069  -4.182   7.504
   76   2HE2  GLN   9          2HE2      GLN   9   2.836  -3.034   8.535
   77    H    GLN  10           H        GLN  10   7.412  -2.736   5.672
   78    HA   GLN  10           HA       GLN  10   5.631  -0.528   6.135
   79   1HB   GLN  10          1HB       GLN  10   8.357  -1.297   7.086
   80   2HB   GLN  10          1HB       GLN  10   7.834   0.373   7.256
   81   1HG   GLN  10          1HG       GLN  10   5.752  -0.606   8.392
   82   2HG   GLN  10          1HG       GLN  10   6.698  -2.087   8.524
   83   1HE2  GLN  10          1HE2      GLN  10   5.653  -0.352  10.591
   84   2HE2  GLN  10          2HE2      GLN  10   7.012   0.159  11.519
   85    H    ASN  11           H        ASN  11   8.239  -1.280   3.956
   86    HA   ASN  11           HA       ASN  11   8.704   1.468   3.196
   87   1HB   ASN  11          1HB       ASN  11  10.146  -0.841   2.843
   88   2HB   ASN  11          1HB       ASN  11   9.382  -0.672   1.267
   89   1HD2  ASN  11          1HD2      ASN  11  12.161  -0.475   1.999
   90   2HD2  ASN  11          2HD2      ASN  11  12.679   1.095   1.514
   91    H    ALA  12           H        ALA  12   6.809  -1.296   2.155
   92    HA   ALA  12           HA       ALA  12   5.731  -0.067  -0.174
   93   1HB   ALA  12          1HB       ALA  12   3.965  -1.881   0.076
   94   2HB   ALA  12          2HB       ALA  12   4.871  -2.426   1.488
   95   3HB   ALA  12          3HB       ALA  12   5.631  -2.431  -0.104
   96    H    PHE  13           H        PHE  13   4.827  -0.303   3.213
   97    HA   PHE  13           HA       PHE  13   2.267   0.787   3.088
   98   1HB   PHE  13          1HB       PHE  13   3.445  -0.324   5.062
   99   2HB   PHE  13          1HB       PHE  13   4.183   1.250   5.353
  100    HD1  PHE  13           HD1      PHE  13   2.479   3.245   5.369
  101    HD2  PHE  13           HD2      PHE  13   1.504  -0.813   6.139
  102    HE1  PHE  13           HE1      PHE  13   0.456   3.968   6.574
  103    HE2  PHE  13           HE2      PHE  13  -0.520  -0.107   7.352
  104    HZ   PHE  13           HZ       PHE  13  -1.048   2.291   7.566
  105    H    TYR  14           H        TYR  14   5.375   2.360   3.657
  106    HA   TYR  14           HA       TYR  14   4.363   4.989   3.828
  107   1HB   TYR  14          1HB       TYR  14   7.108   4.170   2.853
  108   2HB   TYR  14          1HB       TYR  14   6.650   5.725   3.539
  109    HD1  TYR  14           HD1      TYR  14   4.943   4.589   5.818
  110    HD2  TYR  14           HD2      TYR  14   8.834   3.620   4.392
  111    HE1  TYR  14           HE1      TYR  14   5.556   3.781   8.058
  112    HE2  TYR  14           HE2      TYR  14   9.456   2.808   6.628
  113    HH   TYR  14           HH       TYR  14   7.629   3.441   9.389
  114    H    GLU  15           H        GLU  15   5.607   3.090   1.103
  115    HA   GLU  15           HA       GLU  15   5.489   5.088  -0.851
  116   1HB   GLU  15          1HB       GLU  15   6.219   2.473  -0.851
  117   2HB   GLU  15          1HB       GLU  15   4.681   2.369  -1.695
  118   1HG   GLU  15          1HG       GLU  15   6.475   2.598  -3.280
  119   2HG   GLU  15          1HG       GLU  15   5.466   4.043  -3.306
  120    H    ILE  16           H        ILE  16   3.036   2.995   0.497
  121    HA   ILE  16           HA       ILE  16   0.971   3.698  -1.327
  122    HB   ILE  16           HB       ILE  16   1.283   2.045   1.083
  123   1HG1  ILE  16          1HG1      ILE  16  -0.639   1.522  -1.151
  124   2HG1  ILE  16          1HG1      ILE  16   1.091   1.439  -1.468
  125   1HG2  ILE  16          1HG2      ILE  16  -0.486   3.223   2.045
  126   2HG2  ILE  16          2HG2      ILE  16  -1.275   1.848   1.270
  127   3HG2  ILE  16          3HG2      ILE  16  -1.311   3.434   0.500
  128   1HD1  ILE  16          1HD1      ILE  16   1.305  -0.514  -0.414
  129   2HD1  ILE  16          2HD1      ILE  16  -0.446  -0.623  -0.596
  130   3HD1  ILE  16          3HD1      ILE  16   0.248  -0.028   0.912
  131    H    LEU  17           H        LEU  17   1.893   4.670   1.939
  132    HA   LEU  17           HA       LEU  17  -0.287   6.356   2.472
  133   1HB   LEU  17          1HB       LEU  17   2.400   5.907   3.583
  134   2HB   LEU  17          1HB       LEU  17   1.752   7.512   3.862
  135    HG   LEU  17           HG       LEU  17   0.520   4.894   4.713
  136   1HD1  LEU  17          1HD1      LEU  17   2.291   5.492   6.170
  137   2HD1  LEU  17          2HD1      LEU  17   0.793   5.955   6.977
  138   3HD1  LEU  17          3HD1      LEU  17   1.790   7.183   6.196
  139   1HD2  LEU  17          1HD2      LEU  17  -1.349   6.170   4.200
  140   2HD2  LEU  17          2HD2      LEU  17  -0.568   7.682   4.664
  141   3HD2  LEU  17          3HD2      LEU  17  -1.082   6.539   5.904
  142    H    HIS  18           H        HIS  18   2.381   6.729   0.349
  143    HA   HIS  18           HA       HIS  18   2.105   9.635   0.298
  144   1HB   HIS  18          1HB       HIS  18   4.347   8.491   0.437
  145   2HB   HIS  18          1HB       HIS  18   4.098   7.965  -1.223
  146    HD1  HIS  18           HD1      HIS  18   5.608   9.369  -2.596
  147    HD2  HIS  18           HD2      HIS  18   3.608  11.601   0.282
  148    HE1  HIS  18           HE1      HIS  18   6.259  11.760  -3.027
  149    HE2  HIS  18           HE2      HIS  18   4.969  13.099  -1.327
  150    H    LEU  19           H        LEU  19   0.451   7.257  -1.249
  151    HA   LEU  19           HA       LEU  19   0.710   8.190  -3.941
  152   1HB   LEU  19          1HB       LEU  19  -1.762   6.743  -3.157
  153   2HB   LEU  19          1HB       LEU  19  -0.773   6.588  -4.576
  154    HG   LEU  19           HG       LEU  19   0.545   5.661  -2.154
  155   1HD1  LEU  19          1HD1      LEU  19  -0.879   4.064  -1.464
  156   2HD1  LEU  19          2HD1      LEU  19  -1.362   3.667  -3.110
  157   3HD1  LEU  19          3HD1      LEU  19  -2.115   5.023  -2.273
  158   1HD2  LEU  19          1HD2      LEU  19   0.109   3.905  -4.465
  159   2HD2  LEU  19          2HD2      LEU  19   1.594   4.292  -3.597
  160   3HD2  LEU  19          3HD2      LEU  19   0.961   5.411  -4.804
  161    HA   PRO  20           HA       PRO  20  -1.985  11.694  -3.107
  162   1HB   PRO  20          1HB       PRO  20  -1.417  13.102  -5.297
  163   2HB   PRO  20          1HB       PRO  20  -0.235  12.908  -3.996
  164   1HG   PRO  20          1HG       PRO  20  -0.423  11.473  -6.616
  165   2HG   PRO  20          1HG       PRO  20   1.009  12.117  -5.793
  166   1HD   PRO  20          1HD       PRO  20   0.234   9.476  -5.722
  167   2HD   PRO  20          1HD       PRO  20   1.235  10.258  -4.484
  168    H    ASN  21           H        ASN  21  -2.194   9.557  -5.845
  169    HA   ASN  21           HA       ASN  21  -4.774  10.727  -6.584
  170   1HB   ASN  21          1HB       ASN  21  -3.394   8.633  -8.229
  171   2HB   ASN  21          1HB       ASN  21  -4.518   9.881  -8.747
  172   1HD2  ASN  21          1HD2      ASN  21  -1.769   9.024  -9.532
  173   2HD2  ASN  21          2HD2      ASN  21  -0.865  10.484  -9.544
  174    H    LEU  22           H        LEU  22  -4.405   9.056  -4.281
  175    HA   LEU  22           HA       LEU  22  -5.978   6.698  -5.049
  176   1HB   LEU  22          1HB       LEU  22  -3.653   6.831  -3.578
  177   2HB   LEU  22          1HB       LEU  22  -4.893   6.711  -2.343
  178    HG   LEU  22           HG       LEU  22  -5.591   4.814  -4.260
  179   1HD1  LEU  22          1HD1      LEU  22  -3.711   4.314  -5.341
  180   2HD1  LEU  22          2HD1      LEU  22  -3.195   3.558  -3.834
  181   3HD1  LEU  22          3HD1      LEU  22  -2.710   5.213  -4.202
  182   1HD2  LEU  22          1HD2      LEU  22  -5.967   4.538  -1.910
  183   2HD2  LEU  22          2HD2      LEU  22  -4.234   4.544  -1.585
  184   3HD2  LEU  22          3HD2      LEU  22  -4.960   3.204  -2.472
  185    H    ASN  23           H        ASN  23  -7.475   5.932  -3.282
  186    HA   ASN  23           HA       ASN  23  -8.821   8.240  -2.041
  187   1HB   ASN  23          1HB       ASN  23  -9.875   6.063  -3.742
  188   2HB   ASN  23          1HB       ASN  23 -10.841   6.444  -2.321
  189   1HD2  ASN  23          1HD2      ASN  23 -11.457   6.810  -5.119
  190   2HD2  ASN  23          2HD2      ASN  23 -11.766   8.493  -5.331
  191    H    GLU  24           H        GLU  24 -10.049   7.749  -0.091
  192    HA   GLU  24           HA       GLU  24  -8.589   6.418   1.822
  193   1HB   GLU  24          1HB       GLU  24 -10.641   6.556   3.229
  194   2HB   GLU  24          1HB       GLU  24 -10.204   8.073   2.455
  195   1HG   GLU  24          1HG       GLU  24 -11.883   7.555   0.680
  196   2HG   GLU  24          1HG       GLU  24 -12.397   6.179   1.656
  197    H    GLU  25           H        GLU  25 -11.453   5.268   0.090
  198    HA   GLU  25           HA       GLU  25 -11.728   2.812   1.379
  199   1HB   GLU  25          1HB       GLU  25 -13.359   3.903  -0.213
  200   2HB   GLU  25          1HB       GLU  25 -12.352   3.315  -1.529
  201   1HG   GLU  25          1HG       GLU  25 -13.260   1.344   0.487
  202   2HG   GLU  25          1HG       GLU  25 -14.457   1.979  -0.642
  203    H    GLN  26           H        GLN  26  -9.916   3.610  -1.569
  204    HA   GLN  26           HA       GLN  26  -8.990   0.967  -2.000
  205   1HB   GLN  26          1HB       GLN  26  -8.078   3.646  -3.038
  206   2HB   GLN  26          1HB       GLN  26  -7.301   2.141  -3.510
  207   1HG   GLN  26          1HG       GLN  26  -8.890   1.682  -4.986
  208   2HG   GLN  26          1HG       GLN  26 -10.169   1.986  -3.811
  209   1HE2  GLN  26          1HE2      GLN  26  -7.703   4.014  -5.365
  210   2HE2  GLN  26          2HE2      GLN  26  -8.808   5.206  -5.951
  211    H    ARG  27           H        ARG  27  -7.391   3.860  -0.673
  212    HA   ARG  27           HA       ARG  27  -4.947   2.622  -0.077
  213   1HB   ARG  27          1HB       ARG  27  -5.623   5.137  -0.059
  214   2HB   ARG  27          1HB       ARG  27  -6.065   4.833   1.613
  215   1HG   ARG  27          1HG       ARG  27  -3.671   3.849   1.798
  216   2HG   ARG  27          1HG       ARG  27  -3.373   4.783   0.331
  217   1HD   ARG  27          1HD       ARG  27  -2.752   6.180   2.128
  218   2HD   ARG  27          1HD       ARG  27  -4.310   6.779   1.565
  219    HE   ARG  27           HE       ARG  27  -3.776   5.379   4.075
  220   1HH1  ARG  27          1HH1      ARG  27  -6.094   6.905   1.948
  221   2HH1  ARG  27          2HH1      ARG  27  -7.296   7.071   3.182
  222   1HH2  ARG  27          1HH2      ARG  27  -5.363   5.596   5.688
  223   2HH2  ARG  27          2HH2      ARG  27  -6.884   6.328   5.300
  224    H    ASN  28           H        ASN  28  -8.010   2.649   1.590
  225    HA   ASN  28           HA       ASN  28  -6.996   1.699   4.085
  226   1HB   ASN  28          1HB       ASN  28  -9.714   2.051   2.886
  227   2HB   ASN  28          1HB       ASN  28  -9.544   1.026   4.308
  228   1HD2  ASN  28          1HD2      ASN  28 -10.698   3.795   3.689
  229   2HD2  ASN  28          2HD2      ASN  28 -10.083   4.778   4.969
  230    H    ALA  29           H        ALA  29  -8.669   0.173   1.333
  231    HA   ALA  29           HA       ALA  29  -8.712  -2.436   2.358
  232   1HB   ALA  29          1HB       ALA  29 -10.046  -2.352   0.531
  233   2HB   ALA  29          2HB       ALA  29  -8.584  -2.918  -0.279
  234   3HB   ALA  29          3HB       ALA  29  -9.004  -1.205  -0.312
  235    H    PHE  30           H        PHE  30  -6.266  -0.658   0.597
  236    HA   PHE  30           HA       PHE  30  -4.502  -2.832   0.153
  237   1HB   PHE  30          1HB       PHE  30  -4.310   0.140  -0.007
  238   2HB   PHE  30          1HB       PHE  30  -2.829  -0.807  -0.028
  239    HD1  PHE  30           HD1      PHE  30  -4.786   0.892  -2.131
  240    HD2  PHE  30           HD2      PHE  30  -3.417  -3.100  -1.601
  241    HE1  PHE  30           HE1      PHE  30  -5.089   0.471  -4.537
  242    HE2  PHE  30           HE2      PHE  30  -3.714  -3.530  -4.003
  243    HZ   PHE  30           HZ       PHE  30  -4.547  -1.749  -5.478
  244    H    ILE  31           H        ILE  31  -4.354  -0.136   2.476
  245    HA   ILE  31           HA       ILE  31  -2.117  -0.990   3.899
  246    HB   ILE  31           HB       ILE  31  -4.531   0.526   4.896
  247   1HG1  ILE  31          1HG1      ILE  31  -1.819   1.660   4.264
  248   2HG1  ILE  31          1HG1      ILE  31  -3.025   1.443   3.000
  249   1HG2  ILE  31          1HG2      ILE  31  -2.458   1.299   6.487
  250   2HG2  ILE  31          2HG2      ILE  31  -2.141  -0.424   6.288
  251   3HG2  ILE  31          3HG2      ILE  31  -3.690   0.119   6.931
  252   1HD1  ILE  31          1HD1      ILE  31  -4.069   2.806   5.348
  253   2HD1  ILE  31          2HD1      ILE  31  -4.164   3.243   3.642
  254   3HD1  ILE  31          3HD1      ILE  31  -2.729   3.657   4.580
  255    H    GLN  32           H        GLN  32  -5.557  -1.688   4.448
  256    HA   GLN  32           HA       GLN  32  -5.207  -3.298   6.723
  257   1HB   GLN  32          1HB       GLN  32  -7.373  -2.296   5.732
  258   2HB   GLN  32          1HB       GLN  32  -7.403  -3.724   4.707
  259   1HG   GLN  32          1HG       GLN  32  -8.799  -4.173   6.553
  260   2HG   GLN  32          1HG       GLN  32  -7.322  -5.106   6.795
  261   1HE2  GLN  32          1HE2      GLN  32  -9.528  -3.265   8.312
  262   2HE2  GLN  32          2HE2      GLN  32  -8.582  -2.682   9.632
  263    H    SER  33           H        SER  33  -5.529  -4.133   3.291
  264    HA   SER  33           HA       SER  33  -5.342  -6.893   3.509
  265   1HB   SER  33          1HB       SER  33  -5.943  -5.723   1.421
  266   2HB   SER  33          1HB       SER  33  -4.280  -5.160   1.270
  267    HG   SER  33           HG       SER  33  -3.996  -6.958   0.225
  268    H    LEU  34           H        LEU  34  -2.806  -4.474   3.283
  269    HA   LEU  34           HA       LEU  34  -0.641  -6.293   3.154
  270   1HB   LEU  34          1HB       LEU  34   0.028  -4.259   2.392
  271   2HB   LEU  34          1HB       LEU  34  -1.025  -3.383   3.482
  272    HG   LEU  34           HG       LEU  34   1.344  -4.727   4.672
  273   1HD1  LEU  34          1HD1      LEU  34   2.442  -2.360   4.070
  274   2HD1  LEU  34          2HD1      LEU  34   1.464  -2.602   2.622
  275   3HD1  LEU  34          3HD1      LEU  34   2.667  -3.806   3.085
  276   1HD2  LEU  34          1HD2      LEU  34   0.255  -1.963   5.118
  277   2HD2  LEU  34          2HD2      LEU  34   1.241  -2.943   6.202
  278   3HD2  LEU  34          3HD2      LEU  34  -0.438  -3.385   5.896
  279    H    LYS  35           H        LYS  35  -2.420  -4.761   5.735
  280    HA   LYS  35           HA       LYS  35  -0.649  -5.527   7.843
  281   1HB   LYS  35          1HB       LYS  35  -2.997  -3.935   7.547
  282   2HB   LYS  35          1HB       LYS  35  -3.319  -5.134   8.790
  283   1HG   LYS  35          1HG       LYS  35  -2.415  -3.551  10.112
  284   2HG   LYS  35          1HG       LYS  35  -0.913  -4.320   9.604
  285   1HD   LYS  35          1HD       LYS  35  -1.464  -2.476   7.597
  286   2HD   LYS  35          1HD       LYS  35  -1.881  -1.641   9.095
  287   1HE   LYS  35          1HE       LYS  35   0.694  -3.146   8.887
  288   2HE   LYS  35          1HE       LYS  35   0.557  -1.537   8.181
  289   1HZ   LYS  35          1HZ       LYS  35  -0.475  -1.134  10.614
  290   2HZ   LYS  35          2HZ       LYS  35   1.153  -0.886  10.228
  291   3HZ   LYS  35          3HZ       LYS  35   0.670  -2.331  10.962
  292    H    ASP  36           H        ASP  36  -3.234  -7.053   6.106
  293    HA   ASP  36           HA       ASP  36  -3.717  -9.072   8.104
  294   1HB   ASP  36          1HB       ASP  36  -4.836  -8.322   5.495
  295   2HB   ASP  36          1HB       ASP  36  -4.803 -10.058   5.785
  296    H    ASP  37           H        ASP  37  -2.216  -9.005   4.880
  297    HA   ASP  37           HA       ASP  37  -0.588 -11.320   5.665
  298   1HB   ASP  37          1HB       ASP  37  -2.441 -12.097   4.219
  299   2HB   ASP  37          1HB       ASP  37  -1.909 -10.980   2.968
  300    HA   PRO  38           HA       PRO  38   2.135  -7.859   4.270
  301   1HB   PRO  38          1HB       PRO  38   4.029  -9.397   5.945
  302   2HB   PRO  38          1HB       PRO  38   3.653  -7.672   5.963
  303   1HG   PRO  38          1HG       PRO  38   2.792  -9.287   7.906
  304   2HG   PRO  38          1HG       PRO  38   1.787  -7.957   7.302
  305   1HD   PRO  38          1HD       PRO  38   1.609 -10.886   6.713
  306   2HD   PRO  38          1HD       PRO  38   0.306  -9.712   6.995
  307    H    SER  39           H        SER  39   2.398 -11.320   4.161
  308    HA   SER  39           HA       SER  39   4.805 -11.615   2.775
  309   1HB   SER  39          1HB       SER  39   3.091 -13.366   3.816
  310   2HB   SER  39          1HB       SER  39   2.548 -13.456   2.140
  311    HG   SER  39           HG       SER  39   4.154 -14.955   2.369
  312    H    GLN  40           H        GLN  40   1.682 -10.564   1.676
  313    HA   GLN  40           HA       GLN  40   2.661 -10.629  -1.103
  314   1HB   GLN  40          1HB       GLN  40   0.341 -10.658  -1.825
  315   2HB   GLN  40          1HB       GLN  40   0.653 -11.994  -0.724
  316   1HG   GLN  40          1HG       GLN  40  -0.322 -10.604   1.107
  317   2HG   GLN  40          1HG       GLN  40  -0.787  -9.425  -0.119
  318   1HE2  GLN  40          1HE2      GLN  40  -2.960  -9.616   0.054
  319   2HE2  GLN  40          2HE2      GLN  40  -3.838 -11.055  -0.323
  320    H    SER  41           H        SER  41   3.162  -8.533   0.935
  321    HA   SER  41           HA       SER  41   1.554  -6.276   0.493
  322   1HB   SER  41          1HB       SER  41   3.006  -6.164   2.348
  323   2HB   SER  41          1HB       SER  41   4.411  -6.620   1.385
  324    HG   SER  41           HG       SER  41   2.978  -4.226   0.925
  325    H    ALA  42           H        ALA  42   4.709  -7.122  -0.983
  326    HA   ALA  42           HA       ALA  42   4.973  -5.033  -2.743
  327   1HB   ALA  42          1HB       ALA  42   6.808  -6.349  -2.885
  328   2HB   ALA  42          2HB       ALA  42   5.949  -7.013  -4.274
  329   3HB   ALA  42          3HB       ALA  42   5.885  -7.842  -2.718
  330    H    ASN  43           H        ASN  43   2.760  -7.712  -2.941
  331    HA   ASN  43           HA       ASN  43   2.039  -7.306  -5.680
  332   1HB   ASN  43          1HB       ASN  43   1.559  -9.276  -3.765
  333   2HB   ASN  43          1HB       ASN  43  -0.025  -8.563  -4.055
  334   1HD2  ASN  43          1HD2      ASN  43   1.122 -11.200  -4.748
  335   2HD2  ASN  43          2HD2      ASN  43   0.889 -11.363  -6.452
  336    H    LEU  44           H        LEU  44   0.711  -6.356  -2.551
  337    HA   LEU  44           HA       LEU  44  -1.549  -5.000  -3.617
  338   1HB   LEU  44          1HB       LEU  44  -0.510  -4.121  -0.998
  339   2HB   LEU  44          1HB       LEU  44  -2.142  -4.542  -1.476
  340    HG   LEU  44           HG       LEU  44   0.074  -6.427  -0.709
  341   1HD1  LEU  44          1HD1      LEU  44  -0.852  -5.734   1.270
  342   2HD1  LEU  44          2HD1      LEU  44  -1.881  -7.114   0.887
  343   3HD1  LEU  44          3HD1      LEU  44  -2.445  -5.475   0.559
  344   1HD2  LEU  44          1HD2      LEU  44  -1.985  -8.070  -0.967
  345   2HD2  LEU  44          2HD2      LEU  44  -0.900  -7.718  -2.313
  346   3HD2  LEU  44          3HD2      LEU  44  -2.453  -6.890  -2.191
  347    H    LEU  45           H        LEU  45   1.743  -4.304  -3.391
  348    HA   LEU  45           HA       LEU  45   1.576  -1.433  -3.310
  349   1HB   LEU  45          1HB       LEU  45   3.560  -3.144  -2.749
  350   2HB   LEU  45          1HB       LEU  45   3.941  -2.856  -4.427
  351    HG   LEU  45           HG       LEU  45   4.225  -0.497  -4.043
  352   1HD1  LEU  45          1HD1      LEU  45   4.201   0.095  -1.445
  353   2HD1  LEU  45          2HD1      LEU  45   2.942  -1.140  -1.457
  354   3HD1  LEU  45          3HD1      LEU  45   2.787   0.288  -2.480
  355   1HD2  LEU  45          1HD2      LEU  45   5.678  -2.416  -2.290
  356   2HD2  LEU  45          2HD2      LEU  45   6.001  -0.690  -2.120
  357   3HD2  LEU  45          3HD2      LEU  45   6.258  -1.487  -3.672
  358    H    ALA  46           H        ALA  46   2.579  -3.851  -5.650
  359    HA   ALA  46           HA       ALA  46   2.692  -2.198  -7.904
  360   1HB   ALA  46          1HB       ALA  46   2.326  -5.138  -7.504
  361   2HB   ALA  46          2HB       ALA  46   3.664  -4.265  -8.251
  362   3HB   ALA  46          3HB       ALA  46   2.138  -4.449  -9.116
  363    H    GLU  47           H        GLU  47   0.016  -3.755  -6.288
  364    HA   GLU  47           HA       GLU  47  -1.877  -3.258  -8.398
  365   1HB   GLU  47          1HB       GLU  47  -2.323  -3.894  -5.475
  366   2HB   GLU  47          1HB       GLU  47  -3.590  -3.840  -6.692
  367   1HG   GLU  47          1HG       GLU  47  -1.439  -5.568  -7.511
  368   2HG   GLU  47          1HG       GLU  47  -2.068  -6.031  -5.932
  369    H    ALA  48           H        ALA  48  -1.195  -1.719  -5.286
  370    HA   ALA  48           HA       ALA  48  -3.128   0.325  -5.583
  371   1HB   ALA  48          1HB       ALA  48  -0.615   0.314  -3.913
  372   2HB   ALA  48          2HB       ALA  48  -2.194  -0.283  -3.400
  373   3HB   ALA  48          3HB       ALA  48  -1.966   1.433  -3.741
  374    H    LYS  49           H        LYS  49   0.059  -0.162  -6.797
  375    HA   LYS  49           HA       LYS  49   0.604   2.555  -7.442
  376   1HB   LYS  49          1HB       LYS  49   2.412   0.922  -7.156
  377   2HB   LYS  49          1HB       LYS  49   1.785  -0.019  -8.500
  378   1HG   LYS  49          1HG       LYS  49   3.116   1.123  -9.850
  379   2HG   LYS  49          1HG       LYS  49   2.162   2.566  -9.505
  380   1HD   LYS  49          1HD       LYS  49   4.538   2.957  -9.090
  381   2HD   LYS  49          1HD       LYS  49   3.604   3.070  -7.597
  382   1HE   LYS  49          1HE       LYS  49   4.513   1.170  -6.721
  383   2HE   LYS  49          1HE       LYS  49   4.755   0.428  -8.302
  384   1HZ   LYS  49          1HZ       LYS  49   6.350   2.793  -7.722
  385   2HZ   LYS  49          2HZ       LYS  49   6.774   1.374  -8.539
  386   3HZ   LYS  49          3HZ       LYS  49   6.738   1.397  -6.848
  387    H    LYS  50           H        LYS  50  -0.470  -0.298  -9.296
  388    HA   LYS  50           HA       LYS  50  -0.797   1.099 -11.736
  389   1HB   LYS  50          1HB       LYS  50  -2.023  -1.464 -10.703
  390   2HB   LYS  50          1HB       LYS  50  -2.280  -0.860 -12.334
  391   1HG   LYS  50          1HG       LYS  50   0.304  -1.769 -11.097
  392   2HG   LYS  50          1HG       LYS  50  -0.574  -2.501 -12.441
  393   1HD   LYS  50          1HD       LYS  50  -0.181  -0.419 -13.748
  394   2HD   LYS  50          1HD       LYS  50   0.822   0.173 -12.421
  395   1HE   LYS  50          1HE       LYS  50   2.026  -0.927 -14.373
  396   2HE   LYS  50          1HE       LYS  50   2.440  -1.495 -12.756
  397   1HZ   LYS  50          1HZ       LYS  50   1.071  -3.412 -13.063
  398   2HZ   LYS  50          2HZ       LYS  50   2.110  -3.297 -14.392
  399   3HZ   LYS  50          3HZ       LYS  50   0.489  -2.839 -14.545
  400    H    LEU  51           H        LEU  51  -2.878   0.418  -8.997
  401    HA   LEU  51           HA       LEU  51  -5.257   1.399 -10.146
  402   1HB   LEU  51          1HB       LEU  51  -4.375   0.952  -7.308
  403   2HB   LEU  51          1HB       LEU  51  -5.944   1.643  -7.679
  404    HG   LEU  51           HG       LEU  51  -4.945  -1.097  -8.449
  405   1HD1  LEU  51          1HD1      LEU  51  -5.997  -0.308  -6.089
  406   2HD1  LEU  51          2HD1      LEU  51  -6.187  -1.925  -6.766
  407   3HD1  LEU  51          3HD1      LEU  51  -7.463  -0.726  -6.976
  408   1HD2  LEU  51          1HD2      LEU  51  -6.223  -0.530 -10.293
  409   2HD2  LEU  51          2HD2      LEU  51  -7.326   0.472  -9.349
  410   3HD2  LEU  51          3HD2      LEU  51  -7.410  -1.286  -9.230
  411    H    ASN  52           H        ASN  52  -2.884   2.913  -7.971
  412    HA   ASN  52           HA       ASN  52  -4.092   5.403  -7.750
  413   1HB   ASN  52          1HB       ASN  52  -2.123   4.384  -6.476
  414   2HB   ASN  52          1HB       ASN  52  -1.217   5.111  -7.747
  415   1HD2  ASN  52          1HD2      ASN  52  -0.444   7.019  -7.361
  416   2HD2  ASN  52          2HD2      ASN  52  -1.130   8.167  -6.281
  417    H    ASP  53           H        ASP  53  -1.970   4.116 -10.148
  418    HA   ASP  53           HA       ASP  53  -1.556   6.645 -11.476
  419   1HB   ASP  53          1HB       ASP  53  -1.030   3.824 -12.420
  420   2HB   ASP  53          1HB       ASP  53  -0.421   5.292 -13.181
  421    H    ALA  54           H        ALA  54  -3.701   3.923 -11.798
  422    HA   ALA  54           HA       ALA  54  -4.668   4.455 -14.381
  423   1HB   ALA  54          1HB       ALA  54  -6.496   2.922 -13.799
  424   2HB   ALA  54          2HB       ALA  54  -5.951   2.946 -12.122
  425   3HB   ALA  54          3HB       ALA  54  -4.905   2.287 -13.380
  426    H    GLN  55           H        GLN  55  -5.612   5.921 -11.313
  427    HA   GLN  55           HA       GLN  55  -7.942   7.074 -12.668
  428   1HB   GLN  55          1HB       GLN  55  -8.877   7.565 -10.536
  429   2HB   GLN  55          1HB       GLN  55  -8.291   5.909 -10.479
  430   1HG   GLN  55          1HG       GLN  55  -6.574   8.141  -9.509
  431   2HG   GLN  55          1HG       GLN  55  -7.842   7.478  -8.482
  432   1HE2  GLN  55          1HE2      GLN  55  -7.183   6.015  -7.155
  433   2HE2  GLN  55          2HE2      GLN  55  -5.884   4.920  -7.424
  434    H    ALA  56           H        ALA  56  -4.953   7.877 -12.726
  435    HA   ALA  56           HA       ALA  56  -4.719  10.395 -11.484
  436   1HB   ALA  56          1HB       ALA  56  -2.647   9.716 -12.050
  437   2HB   ALA  56          2HB       ALA  56  -2.985  10.601 -13.538
  438   3HB   ALA  56          3HB       ALA  56  -3.205   8.852 -13.483
  439    HA   PRO  57           HA       PRO  57  -6.726  13.447 -13.924
  440   1HB   PRO  57          1HB       PRO  57  -4.067  14.513 -14.759
  441   2HB   PRO  57          1HB       PRO  57  -5.444  15.359 -14.044
  442   1HG   PRO  57          1HG       PRO  57  -3.301  14.780 -12.578
  443   2HG   PRO  57          1HG       PRO  57  -4.933  14.649 -11.895
  444   1HD   PRO  57          1HD       PRO  57  -3.076  12.496 -12.800
  445   2HD   PRO  57          1HD       PRO  57  -4.238  12.496 -11.458
  446    H    LYS  58           H        LYS  58  -7.509  13.641 -15.968
  447    HA   LYS  58           HA       LYS  58  -6.453  11.865 -17.978
  448   1HB   LYS  58          1HB       LYS  58  -8.905  13.519 -17.650
  449   2HB   LYS  58          1HB       LYS  58  -8.424  13.102 -19.288
  450   1HG   LYS  58          1HG       LYS  58  -8.809  11.077 -17.097
  451   2HG   LYS  58          1HG       LYS  58 -10.069  11.545 -18.241
  452   1HD   LYS  58          1HD       LYS  58  -7.378  10.507 -19.103
  453   2HD   LYS  58          1HD       LYS  58  -8.763   9.453 -18.813
  454   1HE   LYS  58          1HE       LYS  58  -8.798  11.778 -20.729
  455   2HE   LYS  58          1HE       LYS  58  -8.418  10.125 -21.206
  456   1HZ   LYS  58          1HZ       LYS  58 -10.557   9.503 -21.068
  457   2HZ   LYS  58          2HZ       LYS  58 -10.876  11.155 -21.243
  458   3HZ   LYS  58          3HZ       LYS  58 -10.876  10.453 -19.704
  Start of MODEL    5
    1   1H    VAL   1          1HT       VAL   1   4.443  -2.007  18.994
    2   2H    VAL   1          2HT       VAL   1   5.452  -2.281  17.632
    3   3H    VAL   1          3HT       VAL   1   6.040  -2.589  19.215
    4    HA   VAL   1           HA       VAL   1   5.561  -4.652  18.506
    5    HB   VAL   1           HB       VAL   1   2.897  -3.786  19.632
    6   1HG1  VAL   1          1HG1      VAL   1   4.249  -6.368  19.183
    7   2HG1  VAL   1          2HG1      VAL   1   2.530  -5.977  19.231
    8   3HG1  VAL   1          3HG1      VAL   1   3.431  -6.181  20.734
    9   1HG2  VAL   1          1HG2      VAL   1   5.274  -4.657  21.252
   10   2HG2  VAL   1          2HG2      VAL   1   3.773  -3.921  21.812
   11   3HG2  VAL   1          3HG2      VAL   1   4.941  -2.961  20.904
   12    H    ASP   2           H        ASP   2   2.551  -2.862  17.808
   13    HA   ASP   2           HA       ASP   2   1.617  -4.636  15.862
   14   1HB   ASP   2          1HB       ASP   2   1.045  -1.690  16.235
   15   2HB   ASP   2          1HB       ASP   2   0.142  -2.745  15.153
   16    H    ASN   3           H        ASN   3   3.955  -2.072  15.655
   17    HA   ASN   3           HA       ASN   3   3.891  -2.123  12.739
   18   1HB   ASN   3          1HB       ASN   3   5.060  -0.308  14.791
   19   2HB   ASN   3          1HB       ASN   3   5.861  -0.391  13.225
   20   1HD2  ASN   3          1HD2      ASN   3   4.972   0.607  11.511
   21   2HD2  ASN   3          2HD2      ASN   3   3.493   1.498  11.559
   22    H    LYS   4           H        LYS   4   4.649  -4.545  13.640
   23    HA   LYS   4           HA       LYS   4   7.572  -4.615  13.517
   24   1HB   LYS   4          1HB       LYS   4   5.709  -6.063  15.028
   25   2HB   LYS   4          1HB       LYS   4   6.319  -7.206  13.842
   26   1HG   LYS   4          1HG       LYS   4   7.593  -7.252  15.933
   27   2HG   LYS   4          1HG       LYS   4   8.590  -6.790  14.553
   28   1HD   LYS   4          1HD       LYS   4   7.423  -4.452  15.747
   29   2HD   LYS   4          1HD       LYS   4   8.254  -5.405  16.977
   30   1HE   LYS   4          1HE       LYS   4  10.282  -5.403  15.645
   31   2HE   LYS   4          1HE       LYS   4   9.458  -4.532  14.353
   32   1HZ   LYS   4          1HZ       LYS   4   9.384  -3.286  16.976
   33   2HZ   LYS   4          2HZ       LYS   4   9.604  -2.588  15.451
   34   3HZ   LYS   4          3HZ       LYS   4  10.903  -3.339  16.232
   35    H    PHE   5           H        PHE   5   6.975  -3.882  11.169
   36    HA   PHE   5           HA       PHE   5   6.427  -6.203   9.471
   37   1HB   PHE   5          1HB       PHE   5   6.476  -3.241   8.886
   38   2HB   PHE   5          1HB       PHE   5   6.297  -4.468   7.636
   39    HD1  PHE   5           HD1      PHE   5   4.129  -4.180   6.846
   40    HD2  PHE   5           HD2      PHE   5   4.803  -4.356  11.039
   41    HE1  PHE   5           HE1      PHE   5   1.703  -4.203   7.230
   42    HE2  PHE   5           HE2      PHE   5   2.380  -4.380  11.433
   43    HZ   PHE   5           HZ       PHE   5   0.826  -4.302   9.528
   44    H    ASN   6           H        ASN   6   7.721  -5.782   7.198
   45    HA   ASN   6           HA       ASN   6  10.562  -5.718   7.979
   46   1HB   ASN   6          1HB       ASN   6  10.949  -7.211   6.024
   47   2HB   ASN   6          1HB       ASN   6   9.911  -7.928   7.251
   48   1HD2  ASN   6          1HD2      ASN   6   7.597  -7.855   6.871
   49   2HD2  ASN   6          2HD2      ASN   6   7.010  -7.926   5.248
   50    H    LYS   7           H        LYS   7  12.070  -5.118   6.205
   51    HA   LYS   7           HA       LYS   7  11.625  -2.539   5.321
   52   1HB   LYS   7          1HB       LYS   7  13.574  -3.022   3.740
   53   2HB   LYS   7          1HB       LYS   7  13.856  -3.234   5.462
   54   1HG   LYS   7          1HG       LYS   7  13.001  -5.727   4.608
   55   2HG   LYS   7          1HG       LYS   7  14.042  -5.150   3.306
   56   1HD   LYS   7          1HD       LYS   7  15.699  -4.546   5.172
   57   2HD   LYS   7          1HD       LYS   7  14.709  -5.583   6.201
   58   1HE   LYS   7          1HE       LYS   7  15.884  -6.482   3.579
   59   2HE   LYS   7          1HE       LYS   7  16.700  -6.693   5.128
   60   1HZ   LYS   7          1HZ       LYS   7  15.202  -8.569   4.155
   61   2HZ   LYS   7          2HZ       LYS   7  13.945  -7.663   4.832
   62   3HZ   LYS   7          3HZ       LYS   7  15.190  -8.247   5.816
   63    H    GLU   8           H        GLU   8  11.693  -5.449   3.230
   64    HA   GLU   8           HA       GLU   8  10.934  -4.336   0.844
   65   1HB   GLU   8          1HB       GLU   8   9.851  -6.968   1.847
   66   2HB   GLU   8          1HB       GLU   8  10.148  -6.496   0.179
   67   1HG   GLU   8          1HG       GLU   8  12.601  -6.292   0.865
   68   2HG   GLU   8          1HG       GLU   8  12.135  -7.187   2.311
   69    H    GLN   9           H        GLN   9   8.945  -4.863   3.639
   70    HA   GLN   9           HA       GLN   9   6.509  -4.301   2.195
   71   1HB   GLN   9          1HB       GLN   9   6.788  -5.957   4.151
   72   2HB   GLN   9          1HB       GLN   9   6.740  -4.526   5.174
   73   1HG   GLN   9          1HG       GLN   9   4.536  -4.319   4.962
   74   2HG   GLN   9          1HG       GLN   9   4.588  -4.590   3.223
   75   1HE2  GLN   9          1HE2      GLN   9   3.226  -5.661   5.878
   76   2HE2  GLN   9          2HE2      GLN   9   3.062  -7.335   5.517
   77    H    GLN  10           H        GLN  10   8.827  -2.670   4.205
   78    HA   GLN  10           HA       GLN  10   7.116  -0.434   4.767
   79   1HB   GLN  10          1HB       GLN  10   9.934  -1.174   5.413
   80   2HB   GLN  10          1HB       GLN  10   9.459   0.515   5.528
   81   1HG   GLN  10          1HG       GLN  10   7.441  -0.802   6.861
   82   2HG   GLN  10          1HG       GLN  10   8.886  -1.707   7.302
   83   1HE2  GLN  10          1HE2      GLN  10   7.228  -0.079   8.969
   84   2HE2  GLN  10          2HE2      GLN  10   8.231   1.173   9.598
   85    H    ASN  11           H        ASN  11   9.519  -1.252   2.321
   86    HA   ASN  11           HA       ASN  11   9.806   1.464   1.413
   87   1HB   ASN  11          1HB       ASN  11  10.437   0.100  -0.795
   88   2HB   ASN  11          1HB       ASN  11  11.575   0.253   0.536
   89   1HD2  ASN  11          1HD2      ASN  11   9.300  -1.794  -1.087
   90   2HD2  ASN  11          2HD2      ASN  11   9.906  -3.280  -0.471
   91    H    ALA  12           H        ALA  12   7.939  -1.377   0.539
   92    HA   ALA  12           HA       ALA  12   6.451  -0.240  -1.557
   93   1HB   ALA  12          1HB       ALA  12   5.495  -2.390   0.326
   94   2HB   ALA  12          2HB       ALA  12   6.615  -2.687  -1.003
   95   3HB   ALA  12          3HB       ALA  12   4.983  -2.111  -1.338
   96    H    PHE  13           H        PHE  13   5.935  -0.408   1.939
   97    HA   PHE  13           HA       PHE  13   3.379   0.676   2.063
   98   1HB   PHE  13          1HB       PHE  13   4.755  -0.363   3.934
   99   2HB   PHE  13          1HB       PHE  13   5.531   1.211   4.090
  100    HD1  PHE  13           HD1      PHE  13   2.898  -0.802   5.175
  101    HD2  PHE  13           HD2      PHE  13   3.900   3.223   4.279
  102    HE1  PHE  13           HE1      PHE  13   1.023  -0.036   6.576
  103    HE2  PHE  13           HE2      PHE  13   2.030   4.009   5.679
  104    HZ   PHE  13           HZ       PHE  13   0.587   2.377   6.831
  105    H    TYR  14           H        TYR  14   6.513   2.280   2.165
  106    HA   TYR  14           HA       TYR  14   5.517   4.912   2.393
  107   1HB   TYR  14          1HB       TYR  14   8.102   3.637   1.893
  108   2HB   TYR  14          1HB       TYR  14   7.915   5.153   1.017
  109    HD1  TYR  14           HD1      TYR  14   6.869   4.011   4.423
  110    HD2  TYR  14           HD2      TYR  14   9.030   6.850   2.105
  111    HE1  TYR  14           HE1      TYR  14   7.423   5.254   6.472
  112    HE2  TYR  14           HE2      TYR  14   9.590   8.100   4.146
  113    HH   TYR  14           HH       TYR  14   9.518   6.970   7.074
  114    H    GLU  15           H        GLU  15   6.177   2.805  -0.343
  115    HA   GLU  15           HA       GLU  15   5.919   4.679  -2.408
  116   1HB   GLU  15          1HB       GLU  15   5.735   1.741  -2.161
  117   2HB   GLU  15          1HB       GLU  15   4.877   2.430  -3.532
  118   1HG   GLU  15          1HG       GLU  15   7.738   3.114  -2.961
  119   2HG   GLU  15          1HG       GLU  15   7.288   1.678  -3.880
  120    H    ILE  16           H        ILE  16   3.541   2.737  -0.689
  121    HA   ILE  16           HA       ILE  16   1.283   3.631  -2.158
  122    HB   ILE  16           HB       ILE  16   1.815   2.018   0.263
  123   1HG1  ILE  16          1HG1      ILE  16  -0.376   1.100  -1.330
  124   2HG1  ILE  16          1HG1      ILE  16   0.919   1.617  -2.405
  125   1HG2  ILE  16          1HG2      ILE  16  -0.710   3.564  -0.127
  126   2HG2  ILE  16          2HG2      ILE  16   0.181   3.226   1.357
  127   3HG2  ILE  16          3HG2      ILE  16  -0.777   1.957   0.594
  128   1HD1  ILE  16          1HD1      ILE  16   1.353  -0.629  -2.038
  129   2HD1  ILE  16          2HD1      ILE  16   0.945  -0.530  -0.326
  130   3HD1  ILE  16          3HD1      ILE  16   2.443   0.188  -0.919
  131    H    LEU  17           H        LEU  17   2.859   4.577   0.847
  132    HA   LEU  17           HA       LEU  17   0.921   6.432   1.714
  133   1HB   LEU  17          1HB       LEU  17   3.716   5.772   2.383
  134   2HB   LEU  17          1HB       LEU  17   3.230   7.415   2.754
  135    HG   LEU  17           HG       LEU  17   1.992   4.877   3.813
  136   1HD1  LEU  17          1HD1      LEU  17   2.659   6.338   5.959
  137   2HD1  LEU  17          2HD1      LEU  17   3.907   6.876   4.835
  138   3HD1  LEU  17          3HD1      LEU  17   3.740   5.162   5.213
  139   1HD2  LEU  17          1HD2      LEU  17   0.097   6.026   4.030
  140   2HD2  LEU  17          2HD2      LEU  17   0.863   7.526   3.506
  141   3HD2  LEU  17          3HD2      LEU  17   0.940   7.041   5.200
  142    H    HIS  18           H        HIS  18   3.137   6.536  -0.871
  143    HA   HIS  18           HA       HIS  18   3.178   9.458  -0.911
  144   1HB   HIS  18          1HB       HIS  18   5.282   8.079  -1.172
  145   2HB   HIS  18          1HB       HIS  18   4.674   7.607  -2.755
  146    HD1  HIS  18           HD1      HIS  18   4.475  11.087  -1.286
  147    HD2  HIS  18           HD2      HIS  18   6.422   9.021  -4.320
  148    HE1  HIS  18           HE1      HIS  18   5.670  12.841  -2.634
  149    HE2  HIS  18           HE2      HIS  18   6.918  11.558  -4.407
  150    H    LEU  19           H        LEU  19   1.057   7.239  -2.099
  151    HA   LEU  19           HA       LEU  19   0.897   8.165  -4.797
  152   1HB   LEU  19          1HB       LEU  19  -1.500   6.925  -3.547
  153   2HB   LEU  19          1HB       LEU  19  -0.816   6.701  -5.125
  154    HG   LEU  19           HG       LEU  19   0.790   5.655  -2.913
  155   1HD1  LEU  19          1HD1      LEU  19  -1.033   4.681  -1.966
  156   2HD1  LEU  19          2HD1      LEU  19  -0.771   3.518  -3.264
  157   3HD1  LEU  19          3HD1      LEU  19  -1.981   4.787  -3.448
  158   1HD2  LEU  19          1HD2      LEU  19   1.755   5.061  -4.868
  159   2HD2  LEU  19          2HD2      LEU  19   0.228   5.084  -5.749
  160   3HD2  LEU  19          3HD2      LEU  19   0.634   3.708  -4.724
  161    HA   PRO  20           HA       PRO  20  -1.104  11.971  -3.512
  162   1HB   PRO  20          1HB       PRO  20  -0.998  13.229  -5.877
  163   2HB   PRO  20          1HB       PRO  20   0.438  12.984  -4.876
  164   1HG   PRO  20          1HG       PRO  20  -0.498  11.422  -7.255
  165   2HG   PRO  20          1HG       PRO  20   1.134  12.001  -6.872
  166   1HD   PRO  20          1HD       PRO  20   0.317   9.447  -6.410
  167   2HD   PRO  20          1HD       PRO  20   1.544  10.266  -5.423
  168    H    ASN  21           H        ASN  21  -2.216  10.089  -6.313
  169    HA   ASN  21           HA       ASN  21  -4.830  11.389  -6.033
  170   1HB   ASN  21          1HB       ASN  21  -5.323  10.655  -8.303
  171   2HB   ASN  21          1HB       ASN  21  -3.823  11.568  -8.272
  172   1HD2  ASN  21          1HD2      ASN  21  -2.864  10.769  -9.990
  173   2HD2  ASN  21          2HD2      ASN  21  -2.413   9.121 -10.171
  174    H    LEU  22           H        LEU  22  -3.926   9.405  -4.251
  175    HA   LEU  22           HA       LEU  22  -5.500   7.019  -4.929
  176   1HB   LEU  22          1HB       LEU  22  -3.401   6.345  -4.196
  177   2HB   LEU  22          1HB       LEU  22  -3.291   7.625  -3.009
  178    HG   LEU  22           HG       LEU  22  -5.188   6.318  -1.791
  179   1HD1  LEU  22          1HD1      LEU  22  -4.450   4.514  -3.973
  180   2HD1  LEU  22          2HD1      LEU  22  -5.893   4.542  -2.960
  181   3HD1  LEU  22          3HD1      LEU  22  -4.420   3.769  -2.375
  182   1HD2  LEU  22          1HD2      LEU  22  -2.323   6.190  -1.773
  183   2HD2  LEU  22          2HD2      LEU  22  -3.006   4.636  -1.297
  184   3HD2  LEU  22          3HD2      LEU  22  -3.456   6.102  -0.428
  185    H    ASN  23           H        ASN  23  -6.981   6.136  -3.386
  186    HA   ASN  23           HA       ASN  23  -8.280   8.223  -1.768
  187   1HB   ASN  23          1HB       ASN  23  -9.399   6.626  -3.669
  188   2HB   ASN  23          1HB       ASN  23  -9.707   5.674  -2.221
  189   1HD2  ASN  23          1HD2      ASN  23 -11.566   7.038  -3.959
  190   2HD2  ASN  23          2HD2      ASN  23 -12.429   8.153  -2.966
  191    H    GLU  24           H        GLU  24  -8.822   7.863   0.370
  192    HA   GLU  24           HA       GLU  24  -7.063   6.454   1.938
  193   1HB   GLU  24          1HB       GLU  24  -8.720   6.773   3.779
  194   2HB   GLU  24          1HB       GLU  24  -8.338   8.237   2.883
  195   1HG   GLU  24          1HG       GLU  24 -10.439   7.685   1.505
  196   2HG   GLU  24          1HG       GLU  24 -10.841   6.602   2.837
  197    H    GLU  25           H        GLU  25 -10.376   5.500   1.090
  198    HA   GLU  25           HA       GLU  25 -10.575   3.148   2.491
  199   1HB   GLU  25          1HB       GLU  25 -11.724   4.094  -0.094
  200   2HB   GLU  25          1HB       GLU  25 -11.949   2.408   0.351
  201   1HG   GLU  25          1HG       GLU  25 -13.786   3.175   1.370
  202   2HG   GLU  25          1HG       GLU  25 -12.661   3.618   2.653
  203    H    GLN  26           H        GLN  26  -9.069   3.634  -0.675
  204    HA   GLN  26           HA       GLN  26  -8.451   0.891  -1.073
  205   1HB   GLN  26          1HB       GLN  26  -8.406   3.156  -2.648
  206   2HB   GLN  26          1HB       GLN  26  -6.699   2.787  -2.448
  207   1HG   GLN  26          1HG       GLN  26  -6.853   1.225  -3.998
  208   2HG   GLN  26          1HG       GLN  26  -8.035   0.360  -3.017
  209   1HE2  GLN  26          1HE2      GLN  26  -7.511   2.353  -5.756
  210   2HE2  GLN  26          2HE2      GLN  26  -9.140   2.377  -6.332
  211    H    ARG  27           H        ARG  27  -6.513   3.685  -0.024
  212    HA   ARG  27           HA       ARG  27  -4.108   2.284   0.334
  213   1HB   ARG  27          1HB       ARG  27  -4.616   4.842   0.356
  214   2HB   ARG  27          1HB       ARG  27  -4.859   4.601   2.072
  215   1HG   ARG  27          1HG       ARG  27  -2.536   3.453   1.990
  216   2HG   ARG  27          1HG       ARG  27  -2.359   4.330   0.473
  217   1HD   ARG  27          1HD       ARG  27  -2.678   5.410   3.250
  218   2HD   ARG  27          1HD       ARG  27  -1.417   5.749   2.067
  219    HE   ARG  27           HE       ARG  27  -4.106   6.613   1.376
  220   1HH1  ARG  27          1HH1      ARG  27  -0.982   7.481   2.681
  221   2HH1  ARG  27          2HH1      ARG  27  -1.199   9.174   2.396
  222   1HH2  ARG  27          1HH2      ARG  27  -4.387   8.838   1.006
  223   2HH2  ARG  27          2HH2      ARG  27  -3.130   9.945   1.448
  224    H    ASN  28           H        ASN  28  -6.998   2.436   2.241
  225    HA   ASN  28           HA       ASN  28  -5.768   1.530   4.667
  226   1HB   ASN  28          1HB       ASN  28  -8.509   2.189   3.758
  227   2HB   ASN  28          1HB       ASN  28  -8.398   0.979   5.033
  228   1HD2  ASN  28          1HD2      ASN  28  -9.214   3.931   4.807
  229   2HD2  ASN  28          2HD2      ASN  28  -8.427   4.662   6.160
  230    H    ALA  29           H        ALA  29  -7.917   0.070   2.220
  231    HA   ALA  29           HA       ALA  29  -7.912  -2.527   3.275
  232   1HB   ALA  29          1HB       ALA  29  -9.279  -1.414   1.309
  233   2HB   ALA  29          2HB       ALA  29  -9.017  -3.157   1.370
  234   3HB   ALA  29          3HB       ALA  29  -8.015  -2.152   0.324
  235    H    PHE  30           H        PHE  30  -5.637  -0.812   1.292
  236    HA   PHE  30           HA       PHE  30  -4.064  -3.055   0.520
  237   1HB   PHE  30          1HB       PHE  30  -3.781  -0.087   0.384
  238   2HB   PHE  30          1HB       PHE  30  -2.361  -1.089   0.125
  239    HD1  PHE  30           HD1      PHE  30  -3.457  -3.363  -1.339
  240    HD2  PHE  30           HD2      PHE  30  -4.344   0.784  -1.681
  241    HE1  PHE  30           HE1      PHE  30  -4.136  -3.708  -3.677
  242    HE2  PHE  30           HE2      PHE  30  -5.026   0.447  -4.021
  243    HZ   PHE  30           HZ       PHE  30  -4.921  -1.802  -5.022
  244    H    ILE  31           H        ILE  31  -3.479  -0.397   2.820
  245    HA   ILE  31           HA       ILE  31  -1.106  -1.402   3.900
  246    HB   ILE  31           HB       ILE  31  -3.232   0.301   5.206
  247   1HG1  ILE  31          1HG1      ILE  31  -0.539   1.197   4.208
  248   2HG1  ILE  31          1HG1      ILE  31  -1.922   1.099   3.124
  249   1HG2  ILE  31          1HG2      ILE  31  -0.908   0.892   6.505
  250   2HG2  ILE  31          2HG2      ILE  31  -0.765  -0.851   6.278
  251   3HG2  ILE  31          3HG2      ILE  31  -2.165  -0.184   7.117
  252   1HD1  ILE  31          1HD1      ILE  31  -2.498   2.533   5.589
  253   2HD1  ILE  31          2HD1      ILE  31  -2.800   2.986   3.912
  254   3HD1  ILE  31          3HD1      ILE  31  -1.213   3.267   4.629
  255    H    GLN  32           H        GLN  32  -4.486  -1.905   4.871
  256    HA   GLN  32           HA       GLN  32  -3.972  -3.501   7.121
  257   1HB   GLN  32          1HB       GLN  32  -6.205  -2.453   6.243
  258   2HB   GLN  32          1HB       GLN  32  -6.365  -3.969   5.367
  259   1HG   GLN  32          1HG       GLN  32  -6.037  -3.720   8.348
  260   2HG   GLN  32          1HG       GLN  32  -7.566  -3.968   7.507
  261   1HE2  GLN  32          1HE2      GLN  32  -6.109  -5.613   9.485
  262   2HE2  GLN  32          2HE2      GLN  32  -5.937  -7.165   8.748
  263    H    SER  33           H        SER  33  -4.735  -4.404   3.763
  264    HA   SER  33           HA       SER  33  -4.534  -7.155   3.987
  265   1HB   SER  33          1HB       SER  33  -5.315  -6.106   1.935
  266   2HB   SER  33          1HB       SER  33  -3.728  -5.390   1.665
  267    HG   SER  33           HG       SER  33  -4.579  -7.734   0.846
  268    H    LEU  34           H        LEU  34  -2.050  -4.736   3.562
  269    HA   LEU  34           HA       LEU  34   0.167  -6.415   3.184
  270   1HB   LEU  34          1HB       LEU  34  -0.150  -3.822   2.957
  271   2HB   LEU  34          1HB       LEU  34   0.340  -3.803   4.639
  272    HG   LEU  34           HG       LEU  34   2.480  -4.739   4.101
  273   1HD1  LEU  34          1HD1      LEU  34   1.116  -5.551   1.682
  274   2HD1  LEU  34          2HD1      LEU  34   2.590  -6.182   2.412
  275   3HD1  LEU  34          3HD1      LEU  34   2.666  -4.784   1.341
  276   1HD2  LEU  34          1HD2      LEU  34   2.842  -2.532   3.823
  277   2HD2  LEU  34          2HD2      LEU  34   1.497  -2.346   2.697
  278   3HD2  LEU  34          3HD2      LEU  34   3.039  -2.988   2.130
  279    H    LYS  35           H        LYS  35  -1.351  -5.076   6.073
  280    HA   LYS  35           HA       LYS  35   0.571  -6.059   7.913
  281   1HB   LYS  35          1HB       LYS  35  -0.881  -4.205   8.502
  282   2HB   LYS  35          1HB       LYS  35  -2.306  -5.212   8.291
  283   1HG   LYS  35          1HG       LYS  35  -0.357  -6.257  10.213
  284   2HG   LYS  35          1HG       LYS  35  -1.087  -4.715  10.664
  285   1HD   LYS  35          1HD       LYS  35  -2.951  -6.748   9.632
  286   2HD   LYS  35          1HD       LYS  35  -2.195  -7.128  11.181
  287   1HE   LYS  35          1HE       LYS  35  -3.826  -4.695  10.480
  288   2HE   LYS  35          1HE       LYS  35  -4.244  -5.975  11.618
  289   1HZ   LYS  35          1HZ       LYS  35  -1.941  -5.153  12.645
  290   2HZ   LYS  35          2HZ       LYS  35  -3.435  -4.498  13.091
  291   3HZ   LYS  35          3HZ       LYS  35  -2.468  -3.701  11.956
  292    H    ASP  36           H        ASP  36  -2.258  -7.411   6.401
  293    HA   ASP  36           HA       ASP  36  -2.587  -9.587   8.214
  294   1HB   ASP  36          1HB       ASP  36  -4.142  -8.491   6.272
  295   2HB   ASP  36          1HB       ASP  36  -3.560  -9.937   5.451
  296    H    ASP  37           H        ASP  37  -1.620  -9.650   4.777
  297    HA   ASP  37           HA       ASP  37   0.169 -11.902   5.418
  298   1HB   ASP  37          1HB       ASP  37  -1.854 -12.537   4.083
  299   2HB   ASP  37          1HB       ASP  37  -1.284 -11.469   2.805
  300    HA   PRO  38           HA       PRO  38   2.908  -8.507   3.950
  301   1HB   PRO  38          1HB       PRO  38   4.882 -10.308   5.237
  302   2HB   PRO  38          1HB       PRO  38   4.644  -8.571   5.444
  303   1HG   PRO  38          1HG       PRO  38   3.901 -10.289   7.342
  304   2HG   PRO  38          1HG       PRO  38   2.926  -8.853   6.973
  305   1HD   PRO  38          1HD       PRO  38   2.475 -11.706   6.189
  306   2HD   PRO  38          1HD       PRO  38   1.300 -10.480   6.711
  307    H    SER  39           H        SER  39   2.992 -11.959   3.519
  308    HA   SER  39           HA       SER  39   5.178 -12.132   1.759
  309   1HB   SER  39          1HB       SER  39   2.820 -13.883   2.350
  310   2HB   SER  39          1HB       SER  39   3.884 -14.273   0.998
  311    HG   SER  39           HG       SER  39   4.267 -14.856   3.512
  312    H    GLN  40           H        GLN  40   2.118 -10.732   1.241
  313    HA   GLN  40           HA       GLN  40   2.508 -10.961  -1.672
  314   1HB   GLN  40          1HB       GLN  40   0.108 -10.805  -1.964
  315   2HB   GLN  40          1HB       GLN  40   0.495 -12.139  -0.886
  316   1HG   GLN  40          1HG       GLN  40  -0.419 -11.119   0.938
  317   2HG   GLN  40          1HG       GLN  40  -0.133  -9.496   0.314
  318   1HE2  GLN  40          1HE2      GLN  40  -2.557 -10.803   1.409
  319   2HE2  GLN  40          2HE2      GLN  40  -3.772 -10.591   0.199
  320    H    SER  41           H        SER  41   3.629  -8.904   0.075
  321    HA   SER  41           HA       SER  41   2.151  -6.516  -0.051
  322   1HB   SER  41          1HB       SER  41   4.274  -5.382   0.396
  323   2HB   SER  41          1HB       SER  41   4.140  -6.830   1.395
  324    HG   SER  41           HG       SER  41   5.462  -7.900  -0.158
  325    H    ALA  42           H        ALA  42   4.841  -7.607  -2.147
  326    HA   ALA  42           HA       ALA  42   4.892  -5.571  -3.975
  327   1HB   ALA  42          1HB       ALA  42   5.051  -8.230  -5.212
  328   2HB   ALA  42          2HB       ALA  42   6.092  -8.000  -3.807
  329   3HB   ALA  42          3HB       ALA  42   6.225  -6.914  -5.191
  330    H    ASN  43           H        ASN  43   2.444  -8.022  -3.646
  331    HA   ASN  43           HA       ASN  43   1.205  -7.548  -6.178
  332   1HB   ASN  43          1HB       ASN  43   1.004  -9.636  -4.682
  333   2HB   ASN  43          1HB       ASN  43  -0.181  -8.708  -3.768
  334   1HD2  ASN  43          1HD2      ASN  43  -2.185  -8.365  -4.607
  335   2HD2  ASN  43          2HD2      ASN  43  -2.744  -9.089  -6.072
  336    H    LEU  44           H        LEU  44   0.642  -6.450  -2.862
  337    HA   LEU  44           HA       LEU  44  -1.662  -4.909  -3.510
  338   1HB   LEU  44          1HB       LEU  44  -0.096  -4.144  -1.127
  339   2HB   LEU  44          1HB       LEU  44  -1.818  -4.408  -1.304
  340    HG   LEU  44           HG       LEU  44   0.313  -6.507  -0.938
  341   1HD1  LEU  44          1HD1      LEU  44  -2.092  -6.138   0.783
  342   2HD1  LEU  44          2HD1      LEU  44  -0.701  -5.073   0.993
  343   3HD1  LEU  44          3HD1      LEU  44  -0.514  -6.817   1.182
  344   1HD2  LEU  44          1HD2      LEU  44  -1.777  -6.935  -2.534
  345   2HD2  LEU  44          2HD2      LEU  44  -2.564  -7.218  -0.982
  346   3HD2  LEU  44          3HD2      LEU  44  -1.155  -8.172  -1.442
  347    H    LEU  45           H        LEU  45   1.683  -4.447  -3.857
  348    HA   LEU  45           HA       LEU  45   1.683  -1.566  -3.790
  349   1HB   LEU  45          1HB       LEU  45   3.637  -3.368  -3.486
  350   2HB   LEU  45          1HB       LEU  45   3.784  -3.127  -5.208
  351    HG   LEU  45           HG       LEU  45   4.276  -0.799  -4.934
  352   1HD1  LEU  45          1HD1      LEU  45   4.584  -0.042  -2.441
  353   2HD1  LEU  45          2HD1      LEU  45   3.361  -1.277  -2.143
  354   3HD1  LEU  45          3HD1      LEU  45   3.013   0.064  -3.234
  355   1HD2  LEU  45          1HD2      LEU  45   6.207  -2.146  -4.742
  356   2HD2  LEU  45          2HD2      LEU  45   5.813  -2.606  -3.086
  357   3HD2  LEU  45          3HD2      LEU  45   6.313  -0.954  -3.447
  358    H    ALA  46           H        ALA  46   2.269  -4.021  -6.228
  359    HA   ALA  46           HA       ALA  46   2.106  -2.350  -8.471
  360   1HB   ALA  46          1HB       ALA  46   1.937  -4.326  -9.781
  361   2HB   ALA  46          2HB       ALA  46   1.280  -5.248  -8.429
  362   3HB   ALA  46          3HB       ALA  46   2.964  -4.724  -8.404
  363    H    GLU  47           H        GLU  47  -0.342  -3.880  -6.517
  364    HA   GLU  47           HA       GLU  47  -2.492  -3.386  -8.356
  365   1HB   GLU  47          1HB       GLU  47  -2.255  -4.418  -5.578
  366   2HB   GLU  47          1HB       GLU  47  -3.811  -3.762  -6.066
  367   1HG   GLU  47          1HG       GLU  47  -3.699  -5.310  -8.054
  368   2HG   GLU  47          1HG       GLU  47  -2.324  -6.078  -7.262
  369    H    ALA  48           H        ALA  48  -1.417  -1.852  -5.350
  370    HA   ALA  48           HA       ALA  48  -3.399   0.179  -5.437
  371   1HB   ALA  48          1HB       ALA  48  -2.315   1.144  -3.590
  372   2HB   ALA  48          2HB       ALA  48  -0.754   0.459  -4.040
  373   3HB   ALA  48          3HB       ALA  48  -2.025  -0.586  -3.409
  374    H    LYS  49           H        LYS  49  -0.394  -0.323  -7.005
  375    HA   LYS  49           HA       LYS  49   0.104   2.406  -7.666
  376   1HB   LYS  49          1HB       LYS  49   1.924   0.750  -7.580
  377   2HB   LYS  49          1HB       LYS  49   1.160  -0.160  -8.873
  378   1HG   LYS  49          1HG       LYS  49   2.499   0.976 -10.241
  379   2HG   LYS  49          1HG       LYS  49   1.406   2.336  -9.976
  380   1HD   LYS  49          1HD       LYS  49   3.526   3.216  -9.534
  381   2HD   LYS  49          1HD       LYS  49   2.867   2.862  -7.935
  382   1HE   LYS  49          1HE       LYS  49   4.441   0.740  -9.291
  383   2HE   LYS  49          1HE       LYS  49   5.317   2.129  -8.650
  384   1HZ   LYS  49          1HZ       LYS  49   5.307   0.839  -6.811
  385   2HZ   LYS  49          2HZ       LYS  49   3.889   0.019  -7.233
  386   3HZ   LYS  49          3HZ       LYS  49   3.801   1.572  -6.569
  387    H    LYS  50           H        LYS  50  -1.189  -0.438  -9.410
  388    HA   LYS  50           HA       LYS  50  -1.768   0.995 -11.789
  389   1HB   LYS  50          1HB       LYS  50  -3.347  -0.924 -12.236
  390   2HB   LYS  50          1HB       LYS  50  -1.669  -1.368 -11.977
  391   1HG   LYS  50          1HG       LYS  50  -2.440  -1.739  -9.520
  392   2HG   LYS  50          1HG       LYS  50  -4.046  -1.825 -10.241
  393   1HD   LYS  50          1HD       LYS  50  -2.275  -3.394 -11.818
  394   2HD   LYS  50          1HD       LYS  50  -2.041  -3.836 -10.128
  395   1HE   LYS  50          1HE       LYS  50  -4.539  -3.973 -11.784
  396   2HE   LYS  50          1HE       LYS  50  -3.743  -5.259 -10.880
  397   1HZ   LYS  50          1HZ       LYS  50  -5.255  -4.827  -9.321
  398   2HZ   LYS  50          2HZ       LYS  50  -5.688  -3.340  -9.999
  399   3HZ   LYS  50          3HZ       LYS  50  -4.354  -3.440  -8.965
  400    H    LEU  51           H        LEU  51  -3.590   0.206  -8.899
  401    HA   LEU  51           HA       LEU  51  -6.067   1.226  -9.735
  402   1HB   LEU  51          1HB       LEU  51  -4.841   0.817  -7.020
  403   2HB   LEU  51          1HB       LEU  51  -6.437   1.519  -7.200
  404    HG   LEU  51           HG       LEU  51  -5.566  -1.249  -8.019
  405   1HD1  LEU  51          1HD1      LEU  51  -7.897  -0.764  -6.280
  406   2HD1  LEU  51          2HD1      LEU  51  -6.317  -0.410  -5.581
  407   3HD1  LEU  51          3HD1      LEU  51  -6.664  -2.022  -6.206
  408   1HD2  LEU  51          1HD2      LEU  51  -8.212  -1.284  -8.410
  409   2HD2  LEU  51          2HD2      LEU  51  -7.057  -0.919  -9.692
  410   3HD2  LEU  51          3HD2      LEU  51  -7.882   0.392  -8.849
  411    H    ASN  52           H        ASN  52  -3.446   2.775  -7.888
  412    HA   ASN  52           HA       ASN  52  -4.611   5.249  -7.554
  413   1HB   ASN  52          1HB       ASN  52  -2.475   4.405  -6.531
  414   2HB   ASN  52          1HB       ASN  52  -1.768   4.919  -8.023
  415   1HD2  ASN  52          1HD2      ASN  52  -0.740   6.728  -7.793
  416   2HD2  ASN  52          2HD2      ASN  52  -1.295   8.089  -6.895
  417    H    ASP  53           H        ASP  53  -2.581   4.095 -10.134
  418    HA   ASP  53           HA       ASP  53  -2.573   6.492 -11.634
  419   1HB   ASP  53          1HB       ASP  53  -0.986   4.534 -11.875
  420   2HB   ASP  53          1HB       ASP  53  -2.277   3.699 -12.735
  421    H    ALA  54           H        ALA  54  -4.711   3.730 -11.571
  422    HA   ALA  54           HA       ALA  54  -6.138   4.254 -13.932
  423   1HB   ALA  54          1HB       ALA  54  -7.948   2.883 -12.557
  424   2HB   ALA  54          2HB       ALA  54  -6.539   2.554 -11.548
  425   3HB   ALA  54          3HB       ALA  54  -6.517   2.129 -13.260
  426    H    GLN  55           H        GLN  55  -6.506   5.579 -10.693
  427    HA   GLN  55           HA       GLN  55  -9.006   6.856 -11.533
  428   1HB   GLN  55          1HB       GLN  55  -8.277   7.543  -8.832
  429   2HB   GLN  55          1HB       GLN  55  -9.712   6.725  -9.422
  430   1HG   GLN  55          1HG       GLN  55  -8.972   5.035  -8.164
  431   2HG   GLN  55          1HG       GLN  55  -7.903   4.713  -9.521
  432   1HE2  GLN  55          1HE2      GLN  55  -7.433   3.978  -6.877
  433   2HE2  GLN  55          2HE2      GLN  55  -6.032   4.815  -6.341
  434    H    ALA  56           H        ALA  56  -6.194   7.604 -12.348
  435    HA   ALA  56           HA       ALA  56  -5.326   9.948 -11.172
  436   1HB   ALA  56          1HB       ALA  56  -4.825   8.524 -13.601
  437   2HB   ALA  56          2HB       ALA  56  -3.774   9.633 -12.721
  438   3HB   ALA  56          3HB       ALA  56  -4.893  10.255 -13.933
  439    HA   PRO  57           HA       PRO  57  -8.851  12.507 -12.408
  440   1HB   PRO  57          1HB       PRO  57  -8.745  14.234 -10.382
  441   2HB   PRO  57          1HB       PRO  57  -9.309  12.577 -10.129
  442   1HG   PRO  57          1HG       PRO  57  -6.658  13.795  -9.490
  443   2HG   PRO  57          1HG       PRO  57  -7.609  12.627  -8.557
  444   1HD   PRO  57          1HD       PRO  57  -5.468  11.999 -10.223
  445   2HD   PRO  57          1HD       PRO  57  -6.703  10.858  -9.663
  446    H    LYS  58           H        LYS  58  -7.176  12.994 -14.201
  447    HA   LYS  58           HA       LYS  58  -6.649  15.849 -14.118
  448   1HB   LYS  58          1HB       LYS  58  -4.325  15.559 -14.951
  449   2HB   LYS  58          1HB       LYS  58  -4.549  14.994 -13.302
  450   1HG   LYS  58          1HG       LYS  58  -3.815  12.978 -13.840
  451   2HG   LYS  58          1HG       LYS  58  -5.017  12.837 -15.125
  452   1HD   LYS  58          1HD       LYS  58  -3.532  13.349 -16.736
  453   2HD   LYS  58          1HD       LYS  58  -2.753  14.595 -15.757
  454   1HE   LYS  58          1HE       LYS  58  -1.466  12.959 -14.580
  455   2HE   LYS  58          1HE       LYS  58  -2.365  11.639 -15.326
  456   1HZ   LYS  58          1HZ       LYS  58  -1.481  12.688 -17.508
  457   2HZ   LYS  58          2HZ       LYS  58  -0.463  11.701 -16.586
  458   3HZ   LYS  58          3HZ       LYS  58  -0.311  13.383 -16.503
  Start of MODEL    6
    1   1H    VAL   1          1HT       VAL   1   5.228 -13.683   7.577
    2   2H    VAL   1          2HT       VAL   1   4.022 -13.439   8.774
    3   3H    VAL   1          3HT       VAL   1   5.140 -14.732   8.930
    4    HA   VAL   1           HA       VAL   1   6.833 -13.414   9.526
    5    HB   VAL   1           HB       VAL   1   6.780 -10.918   9.172
    6   1HG1  VAL   1          1HG1      VAL   1   6.959 -11.312   6.524
    7   2HG1  VAL   1          2HG1      VAL   1   7.030 -12.985   7.077
    8   3HG1  VAL   1          3HG1      VAL   1   8.209 -11.812   7.664
    9   1HG2  VAL   1          1HG2      VAL   1   4.149 -11.278   8.605
   10   2HG2  VAL   1          2HG2      VAL   1   4.838 -11.182   6.985
   11   3HG2  VAL   1          3HG2      VAL   1   5.089  -9.864   8.130
   12    H    ASP   2           H        ASP   2   7.091 -11.806  11.313
   13    HA   ASP   2           HA       ASP   2   5.118 -12.262  13.295
   14   1HB   ASP   2          1HB       ASP   2   7.448 -10.333  13.346
   15   2HB   ASP   2          1HB       ASP   2   6.533 -10.886  14.745
   16    H    ASN   3           H        ASN   3   4.769 -10.001  14.724
   17    HA   ASN   3           HA       ASN   3   2.859  -8.573  13.113
   18   1HB   ASN   3          1HB       ASN   3   2.418  -7.327  15.267
   19   2HB   ASN   3          1HB       ASN   3   2.175  -9.070  15.347
   20   1HD2  ASN   3          1HD2      ASN   3   2.427  -8.980  17.603
   21   2HD2  ASN   3          2HD2      ASN   3   3.989  -8.827  18.326
   22    H    LYS   4           H        LYS   4   6.122  -8.181  13.778
   23    HA   LYS   4           HA       LYS   4   6.036  -5.285  13.363
   24   1HB   LYS   4          1HB       LYS   4   7.535  -6.729  15.103
   25   2HB   LYS   4          1HB       LYS   4   8.645  -6.620  13.744
   26   1HG   LYS   4          1HG       LYS   4   7.876  -4.057  13.894
   27   2HG   LYS   4          1HG       LYS   4   7.688  -4.527  15.585
   28   1HD   LYS   4          1HD       LYS   4   9.941  -5.004  15.837
   29   2HD   LYS   4          1HD       LYS   4  10.188  -5.235  14.104
   30   1HE   LYS   4          1HE       LYS   4   9.669  -2.749  13.873
   31   2HE   LYS   4          1HE       LYS   4   9.868  -2.661  15.622
   32   1HZ   LYS   4          1HZ       LYS   4  12.108  -3.329  15.448
   33   2HZ   LYS   4          2HZ       LYS   4  11.893  -2.137  14.268
   34   3HZ   LYS   4          3HZ       LYS   4  11.945  -3.768  13.822
   35    H    PHE   5           H        PHE   5   6.380  -4.470  11.422
   36    HA   PHE   5           HA       PHE   5   7.027  -6.140   9.198
   37   1HB   PHE   5          1HB       PHE   5   6.859  -3.136   9.215
   38   2HB   PHE   5          1HB       PHE   5   6.540  -4.227   7.869
   39    HD1  PHE   5           HD1      PHE   5   4.492  -5.717   8.001
   40    HD2  PHE   5           HD2      PHE   5   5.170  -2.477  10.675
   41    HE1  PHE   5           HE1      PHE   5   2.113  -5.724   8.605
   42    HE2  PHE   5           HE2      PHE   5   2.787  -2.477  11.282
   43    HZ   PHE   5           HZ       PHE   5   1.255  -4.103  10.247
   44    H    ASN   6           H        ASN   6   8.520  -4.447   7.574
   45    HA   ASN   6           HA       ASN   6  11.036  -3.927   8.952
   46   1HB   ASN   6          1HB       ASN   6  12.267  -5.251   7.166
   47   2HB   ASN   6          1HB       ASN   6  11.407  -6.201   8.374
   48   1HD2  ASN   6          1HD2      ASN   6  11.849  -5.605   5.094
   49   2HD2  ASN   6          2HD2      ASN   6  10.553  -6.572   4.486
   50    H    LYS   7           H        LYS   7  12.721  -3.292   7.097
   51    HA   LYS   7           HA       LYS   7  12.004  -0.819   6.154
   52   1HB   LYS   7          1HB       LYS   7  13.944  -1.126   4.522
   53   2HB   LYS   7          1HB       LYS   7  14.297  -1.303   6.235
   54   1HG   LYS   7          1HG       LYS   7  13.674  -3.868   5.470
   55   2HG   LYS   7          1HG       LYS   7  14.530  -3.228   4.067
   56   1HD   LYS   7          1HD       LYS   7  16.497  -3.249   5.132
   57   2HD   LYS   7          1HD       LYS   7  15.810  -2.524   6.587
   58   1HE   LYS   7          1HE       LYS   7  16.766  -4.815   6.907
   59   2HE   LYS   7          1HE       LYS   7  15.080  -4.642   7.393
   60   1HZ   LYS   7          1HZ       LYS   7  14.348  -5.872   5.608
   61   2HZ   LYS   7          2HZ       LYS   7  15.795  -6.664   5.983
   62   3HZ   LYS   7          3HZ       LYS   7  15.735  -5.585   4.682
   63    H    GLU   8           H        GLU   8  12.201  -3.784   4.162
   64    HA   GLU   8           HA       GLU   8  11.330  -2.760   1.763
   65   1HB   GLU   8          1HB       GLU   8  10.500  -5.460   2.824
   66   2HB   GLU   8          1HB       GLU   8  10.707  -4.988   1.143
   67   1HG   GLU   8          1HG       GLU   8  13.167  -4.465   2.304
   68   2HG   GLU   8          1HG       GLU   8  12.646  -5.979   3.041
   69    H    GLN   9           H        GLN   9   9.388  -3.822   4.502
   70    HA   GLN   9           HA       GLN   9   6.883  -3.477   3.213
   71   1HB   GLN   9          1HB       GLN   9   7.596  -4.839   5.354
   72   2HB   GLN   9          1HB       GLN   9   7.151  -3.352   6.178
   73   1HG   GLN   9          1HG       GLN   9   5.056  -4.059   6.167
   74   2HG   GLN   9          1HG       GLN   9   5.058  -3.870   4.416
   75   1HE2  GLN   9          1HE2      GLN   9   4.018  -5.545   3.659
   76   2HE2  GLN   9          2HE2      GLN   9   4.357  -7.189   4.033
   77    H    GLN  10           H        GLN  10   8.918  -1.437   5.227
   78    HA   GLN  10           HA       GLN  10   6.938   0.627   5.469
   79   1HB   GLN  10          1HB       GLN  10   9.853   0.464   6.213
   80   2HB   GLN  10          1HB       GLN  10   8.908   1.933   6.417
   81   1HG   GLN  10          1HG       GLN  10   7.744  -0.513   7.570
   82   2HG   GLN  10          1HG       GLN  10   9.221   0.075   8.327
   83   1HE2  GLN  10          1HE2      GLN  10   6.645  -0.053   9.490
   84   2HE2  GLN  10          2HE2      GLN  10   6.173   1.558   9.875
   85    H    ASN  11           H        ASN  11   9.350  -0.242   3.147
   86    HA   ASN  11           HA       ASN  11   9.602   2.407   2.031
   87   1HB   ASN  11          1HB       ASN  11  11.208   0.297   1.800
   88   2HB   ASN  11          1HB       ASN  11  10.155  -0.074   0.441
   89   1HD2  ASN  11          1HD2      ASN  11  11.958   0.183  -0.908
   90   2HD2  ASN  11          2HD2      ASN  11  12.498   1.754  -1.365
   91    H    ALA  12           H        ALA  12   7.773  -0.542   1.471
   92    HA   ALA  12           HA       ALA  12   6.369   0.374  -0.821
   93   1HB   ALA  12          1HB       ALA  12   5.723  -1.782   1.190
   94   2HB   ALA  12          2HB       ALA  12   6.485  -1.989  -0.387
   95   3HB   ALA  12          3HB       ALA  12   4.796  -1.492  -0.282
   96    H    PHE  13           H        PHE  13   5.790   0.414   2.655
   97    HA   PHE  13           HA       PHE  13   3.188   1.396   2.672
   98   1HB   PHE  13          1HB       PHE  13   4.571   0.518   4.621
   99   2HB   PHE  13          1HB       PHE  13   5.285   2.128   4.695
  100    HD1  PHE  13           HD1      PHE  13   2.713   0.086   5.868
  101    HD2  PHE  13           HD2      PHE  13   3.572   4.084   4.735
  102    HE1  PHE  13           HE1      PHE  13   0.790   0.863   7.195
  103    HE2  PHE  13           HE2      PHE  13   1.652   4.880   6.059
  104    HZ   PHE  13           HZ       PHE  13   0.257   3.268   7.292
  105    H    TYR  14           H        TYR  14   6.262   3.127   2.747
  106    HA   TYR  14           HA       TYR  14   5.148   5.725   2.777
  107   1HB   TYR  14          1HB       TYR  14   7.817   4.871   1.625
  108   2HB   TYR  14          1HB       TYR  14   7.362   6.502   2.107
  109    HD1  TYR  14           HD1      TYR  14   5.900   5.558   4.690
  110    HD2  TYR  14           HD2      TYR  14   9.744   4.754   3.053
  111    HE1  TYR  14           HE1      TYR  14   6.767   5.131   6.951
  112    HE2  TYR  14           HE2      TYR  14  10.621   4.323   5.310
  113    HH   TYR  14           HH       TYR  14  10.119   4.825   7.608
  114    H    GLU  15           H        GLU  15   6.057   3.520   0.175
  115    HA   GLU  15           HA       GLU  15   5.736   5.255  -1.991
  116   1HB   GLU  15          1HB       GLU  15   5.348   2.282  -1.702
  117   2HB   GLU  15          1HB       GLU  15   5.084   3.097  -3.237
  118   1HG   GLU  15          1HG       GLU  15   7.627   3.792  -2.012
  119   2HG   GLU  15          1HG       GLU  15   7.461   2.066  -2.332
  120    H    ILE  16           H        ILE  16   3.410   3.328  -0.195
  121    HA   ILE  16           HA       ILE  16   1.157   3.973  -1.801
  122    HB   ILE  16           HB       ILE  16   1.706   2.543   0.718
  123   1HG1  ILE  16          1HG1      ILE  16  -0.450   1.737  -1.152
  124   2HG1  ILE  16          1HG1      ILE  16   1.184   1.777  -1.806
  125   1HG2  ILE  16          1HG2      ILE  16   0.034   3.798   1.727
  126   2HG2  ILE  16          2HG2      ILE  16  -0.852   2.404   1.106
  127   3HG2  ILE  16          3HG2      ILE  16  -0.901   3.937   0.236
  128   1HD1  ILE  16          1HD1      ILE  16  -0.030  -0.048   0.155
  129   2HD1  ILE  16          2HD1      ILE  16   1.639   0.430   0.465
  130   3HD1  ILE  16          3HD1      ILE  16   1.211  -0.342  -1.062
  131    H    LEU  17           H        LEU  17   2.524   5.205   1.210
  132    HA   LEU  17           HA       LEU  17   0.455   7.004   1.848
  133   1HB   LEU  17          1HB       LEU  17   3.244   6.555   2.685
  134   2HB   LEU  17          1HB       LEU  17   2.657   8.191   2.911
  135    HG   LEU  17           HG       LEU  17   1.500   5.672   4.100
  136   1HD1  LEU  17          1HD1      LEU  17   3.204   6.175   5.515
  137   2HD1  LEU  17          2HD1      LEU  17   1.980   7.261   6.174
  138   3HD1  LEU  17          3HD1      LEU  17   3.213   7.884   5.078
  139   1HD2  LEU  17          1HD2      LEU  17   0.164   7.644   5.327
  140   2HD2  LEU  17          2HD2      LEU  17  -0.445   6.809   3.899
  141   3HD2  LEU  17          3HD2      LEU  17   0.356   8.371   3.732
  142    H    HIS  18           H        HIS  18   2.780   7.073  -0.640
  143    HA   HIS  18           HA       HIS  18   2.618   9.986  -0.886
  144   1HB   HIS  18          1HB       HIS  18   4.835   8.782  -0.883
  145   2HB   HIS  18          1HB       HIS  18   4.397   8.133  -2.459
  146    HD1  HIS  18           HD1      HIS  18   4.258  11.661  -1.013
  147    HD2  HIS  18           HD2      HIS  18   5.693   9.592  -4.318
  148    HE1  HIS  18           HE1      HIS  18   5.301  13.403  -2.496
  149    HE2  HIS  18           HE2      HIS  18   6.081  12.140  -4.531
  150    H    LEU  19           H        LEU  19   0.756   7.542  -2.051
  151    HA   LEU  19           HA       LEU  19   0.767   8.186  -4.828
  152   1HB   LEU  19          1HB       LEU  19  -1.710   7.060  -3.639
  153   2HB   LEU  19          1HB       LEU  19  -0.901   6.662  -5.120
  154    HG   LEU  19           HG       LEU  19   0.641   5.887  -2.795
  155   1HD1  LEU  19          1HD1      LEU  19  -1.626   5.577  -1.869
  156   2HD1  LEU  19          2HD1      LEU  19  -0.781   4.048  -2.108
  157   3HD1  LEU  19          3HD1      LEU  19  -2.024   4.555  -3.250
  158   1HD2  LEU  19          1HD2      LEU  19  -0.153   4.834  -5.436
  159   2HD2  LEU  19          2HD2      LEU  19   0.258   3.652  -4.194
  160   3HD2  LEU  19          3HD2      LEU  19   1.431   4.883  -4.663
  161    HA   PRO  20           HA       PRO  20  -1.401  12.060  -4.136
  162   1HB   PRO  20          1HB       PRO  20  -1.150  13.044  -6.621
  163   2HB   PRO  20          1HB       PRO  20   0.211  12.966  -5.495
  164   1HG   PRO  20          1HG       PRO  20  -0.495  11.115  -7.743
  165   2HG   PRO  20          1HG       PRO  20   1.088  11.783  -7.300
  166   1HD   PRO  20          1HD       PRO  20   0.285   9.271  -6.618
  167   2HD   PRO  20          1HD       PRO  20   1.419  10.227  -5.643
  168    H    ASN  21           H        ASN  21  -2.248   9.848  -6.776
  169    HA   ASN  21           HA       ASN  21  -4.900  11.087  -6.881
  170   1HB   ASN  21          1HB       ASN  21  -5.082   9.509  -8.974
  171   2HB   ASN  21          1HB       ASN  21  -4.216  11.032  -9.085
  172   1HD2  ASN  21          1HD2      ASN  21  -3.905   8.914 -10.811
  173   2HD2  ASN  21          2HD2      ASN  21  -2.306   8.310 -10.649
  174    H    LEU  22           H        LEU  22  -4.092   9.418  -4.750
  175    HA   LEU  22           HA       LEU  22  -5.663   6.967  -5.161
  176   1HB   LEU  22          1HB       LEU  22  -3.672   6.249  -4.305
  177   2HB   LEU  22          1HB       LEU  22  -3.379   7.746  -3.451
  178    HG   LEU  22           HG       LEU  22  -5.537   6.539  -2.113
  179   1HD1  LEU  22          1HD1      LEU  22  -5.345   4.343  -2.312
  180   2HD1  LEU  22          2HD1      LEU  22  -3.691   4.440  -1.708
  181   3HD1  LEU  22          3HD1      LEU  22  -4.004   4.541  -3.441
  182   1HD2  LEU  22          1HD2      LEU  22  -4.196   7.577  -0.650
  183   2HD2  LEU  22          2HD2      LEU  22  -2.755   7.309  -1.629
  184   3HD2  LEU  22          3HD2      LEU  22  -3.351   6.032  -0.570
  185    H    ASN  23           H        ASN  23  -7.308   6.385  -3.734
  186    HA   ASN  23           HA       ASN  23  -8.484   8.649  -2.275
  187   1HB   ASN  23          1HB       ASN  23  -9.756   6.069  -3.223
  188   2HB   ASN  23          1HB       ASN  23 -10.597   7.363  -2.376
  189   1HD2  ASN  23          1HD2      ASN  23 -11.158   6.273  -4.963
  190   2HD2  ASN  23          2HD2      ASN  23 -11.012   7.568  -6.092
  191    H    GLU  24           H        GLU  24  -8.905   8.549  -0.114
  192    HA   GLU  24           HA       GLU  24  -7.382   7.071   1.586
  193   1HB   GLU  24          1HB       GLU  24  -9.080   7.600   3.344
  194   2HB   GLU  24          1HB       GLU  24  -8.569   8.985   2.388
  195   1HG   GLU  24          1HG       GLU  24 -10.832   7.824   1.127
  196   2HG   GLU  24          1HG       GLU  24 -11.188   8.015   2.843
  197    H    GLU  25           H        GLU  25 -10.448   6.133   0.166
  198    HA   GLU  25           HA       GLU  25 -11.134   3.994   1.786
  199   1HB   GLU  25          1HB       GLU  25 -12.276   5.077  -0.347
  200   2HB   GLU  25          1HB       GLU  25 -11.504   3.721  -1.157
  201   1HG   GLU  25          1HG       GLU  25 -13.545   2.827  -0.668
  202   2HG   GLU  25          1HG       GLU  25 -12.621   2.327   0.747
  203    H    GLN  26           H        GLN  26  -9.299   3.849  -1.254
  204    HA   GLN  26           HA       GLN  26  -8.574   1.129  -0.922
  205   1HB   GLN  26          1HB       GLN  26  -8.052   3.269  -2.855
  206   2HB   GLN  26          1HB       GLN  26  -6.706   2.153  -2.664
  207   1HG   GLN  26          1HG       GLN  26  -7.720   0.708  -3.983
  208   2HG   GLN  26          1HG       GLN  26  -9.061   0.608  -2.845
  209   1HE2  GLN  26          1HE2      GLN  26  -7.850   2.179  -5.718
  210   2HE2  GLN  26          2HE2      GLN  26  -9.374   2.772  -6.275
  211    H    ARG  27           H        ARG  27  -7.071   4.175  -0.074
  212    HA   ARG  27           HA       ARG  27  -4.508   3.150   0.509
  213   1HB   ARG  27          1HB       ARG  27  -5.079   5.577   0.206
  214   2HB   ARG  27          1HB       ARG  27  -5.801   5.548   1.803
  215   1HG   ARG  27          1HG       ARG  27  -3.701   5.062   2.830
  216   2HG   ARG  27          1HG       ARG  27  -2.932   4.831   1.260
  217   1HD   ARG  27          1HD       ARG  27  -2.404   6.986   1.217
  218   2HD   ARG  27          1HD       ARG  27  -4.118   7.399   1.249
  219    HE   ARG  27           HE       ARG  27  -2.260   7.494   3.455
  220   1HH1  ARG  27          1HH1      ARG  27  -5.619   7.400   2.503
  221   2HH1  ARG  27          2HH1      ARG  27  -6.185   8.098   3.983
  222   1HH2  ARG  27          1HH2      ARG  27  -3.007   8.413   5.399
  223   2HH2  ARG  27          2HH2      ARG  27  -4.705   8.672   5.625
  224    H    ASN  28           H        ASN  28  -7.482   3.345   2.406
  225    HA   ASN  28           HA       ASN  28  -6.155   2.600   4.842
  226   1HB   ASN  28          1HB       ASN  28  -8.315   2.551   5.852
  227   2HB   ASN  28          1HB       ASN  28  -8.300   3.918   4.752
  228   1HD2  ASN  28          1HD2      ASN  28 -10.137   4.169   3.759
  229   2HD2  ASN  28          2HD2      ASN  28 -11.199   2.910   3.236
  230    H    ALA  29           H        ALA  29  -8.278   1.008   2.504
  231    HA   ALA  29           HA       ALA  29  -8.307  -1.530   3.691
  232   1HB   ALA  29          1HB       ALA  29  -9.870  -1.461   2.046
  233   2HB   ALA  29          2HB       ALA  29  -8.567  -2.192   1.109
  234   3HB   ALA  29          3HB       ALA  29  -8.874  -0.459   0.990
  235    H    PHE  30           H        PHE  30  -6.006   0.013   1.568
  236    HA   PHE  30           HA       PHE  30  -4.428  -2.304   1.081
  237   1HB   PHE  30          1HB       PHE  30  -4.133   0.616   0.570
  238   2HB   PHE  30          1HB       PHE  30  -2.711  -0.410   0.463
  239    HD1  PHE  30           HD1      PHE  30  -4.623   1.213  -1.621
  240    HD2  PHE  30           HD2      PHE  30  -3.836  -2.861  -0.684
  241    HE1  PHE  30           HE1      PHE  30  -5.258   0.563  -3.910
  242    HE2  PHE  30           HE2      PHE  30  -4.466  -3.517  -2.965
  243    HZ   PHE  30           HZ       PHE  30  -5.174  -1.808  -4.583
  244    H    ILE  31           H        ILE  31  -3.830   0.604   3.056
  245    HA   ILE  31           HA       ILE  31  -1.460  -0.273   4.238
  246    HB   ILE  31           HB       ILE  31  -3.590   1.539   5.380
  247   1HG1  ILE  31          1HG1      ILE  31  -0.930   2.337   4.217
  248   2HG1  ILE  31          1HG1      ILE  31  -2.357   2.144   3.203
  249   1HG2  ILE  31          1HG2      ILE  31  -2.470   1.188   7.305
  250   2HG2  ILE  31          2HG2      ILE  31  -1.321   2.325   6.600
  251   3HG2  ILE  31          3HG2      ILE  31  -1.030   0.590   6.481
  252   1HD1  ILE  31          1HD1      ILE  31  -2.047   4.054   5.507
  253   2HD1  ILE  31          2HD1      ILE  31  -3.515   3.837   4.554
  254   3HD1  ILE  31          3HD1      ILE  31  -2.052   4.460   3.791
  255    H    GLN  32           H        GLN  32  -4.819  -0.605   5.358
  256    HA   GLN  32           HA       GLN  32  -4.273  -1.988   7.731
  257   1HB   GLN  32          1HB       GLN  32  -6.491  -0.968   6.909
  258   2HB   GLN  32          1HB       GLN  32  -6.719  -2.481   6.042
  259   1HG   GLN  32          1HG       GLN  32  -7.900  -2.667   8.075
  260   2HG   GLN  32          1HG       GLN  32  -6.456  -3.665   8.233
  261   1HE2  GLN  32          1HE2      GLN  32  -7.968  -2.716  10.391
  262   2HE2  GLN  32          2HE2      GLN  32  -6.987  -1.627  11.304
  263    H    SER  33           H        SER  33  -5.229  -3.253   4.540
  264    HA   SER  33           HA       SER  33  -5.034  -5.960   5.108
  265   1HB   SER  33          1HB       SER  33  -5.985  -5.030   3.013
  266   2HB   SER  33          1HB       SER  33  -4.355  -4.620   2.482
  267    HG   SER  33           HG       SER  33  -5.052  -6.623   1.628
  268    H    LEU  34           H        LEU  34  -2.572  -3.653   4.223
  269    HA   LEU  34           HA       LEU  34  -0.436  -5.431   3.793
  270   1HB   LEU  34          1HB       LEU  34  -0.789  -2.788   3.445
  271   2HB   LEU  34          1HB       LEU  34   0.105  -2.751   4.949
  272    HG   LEU  34           HG       LEU  34   1.459  -2.496   2.834
  273   1HD1  LEU  34          1HD1      LEU  34   3.306  -3.604   3.734
  274   2HD1  LEU  34          2HD1      LEU  34   2.312  -4.870   4.453
  275   3HD1  LEU  34          3HD1      LEU  34   2.285  -3.239   5.125
  276   1HD2  LEU  34          1HD2      LEU  34   1.575  -4.099   1.273
  277   2HD2  LEU  34          2HD2      LEU  34   0.048  -4.653   1.961
  278   3HD2  LEU  34          3HD2      LEU  34   1.565  -5.398   2.465
  279    H    LYS  35           H        LYS  35  -1.598  -3.734   6.660
  280    HA   LYS  35           HA       LYS  35   0.496  -4.649   8.354
  281   1HB   LYS  35          1HB       LYS  35  -2.216  -3.475   8.981
  282   2HB   LYS  35          1HB       LYS  35  -0.984  -3.815  10.189
  283   1HG   LYS  35          1HG       LYS  35   0.289  -2.286   8.221
  284   2HG   LYS  35          1HG       LYS  35  -1.284  -1.530   8.482
  285   1HD   LYS  35          1HD       LYS  35  -0.854  -1.379  10.860
  286   2HD   LYS  35          1HD       LYS  35   0.673  -2.241  10.666
  287   1HE   LYS  35          1HE       LYS  35   0.305   0.186   9.019
  288   2HE   LYS  35          1HE       LYS  35   0.488   0.435  10.755
  289   1HZ   LYS  35          1HZ       LYS  35   2.589  -0.564  10.742
  290   2HZ   LYS  35          2HZ       LYS  35   2.588   0.427   9.371
  291   3HZ   LYS  35          3HZ       LYS  35   2.371  -1.243   9.207
  292    H    ASP  36           H        ASP  36  -2.554  -5.936   7.330
  293    HA   ASP  36           HA       ASP  36  -2.805  -7.845   9.450
  294   1HB   ASP  36          1HB       ASP  36  -4.179  -7.411   6.817
  295   2HB   ASP  36          1HB       ASP  36  -4.447  -8.901   7.717
  296    H    ASP  37           H        ASP  37  -2.082  -8.193   5.972
  297    HA   ASP  37           HA       ASP  37  -0.513 -10.602   6.623
  298   1HB   ASP  37          1HB       ASP  37  -2.703 -10.920   5.314
  299   2HB   ASP  37          1HB       ASP  37  -1.866 -10.145   3.972
  300    HA   PRO  38           HA       PRO  38   2.439  -7.531   4.877
  301   1HB   PRO  38          1HB       PRO  38   4.352  -9.151   6.420
  302   2HB   PRO  38          1HB       PRO  38   4.053  -7.413   6.473
  303   1HG   PRO  38          1HG       PRO  38   3.304  -9.030   8.478
  304   2HG   PRO  38          1HG       PRO  38   2.343  -7.615   8.008
  305   1HD   PRO  38          1HD       PRO  38   1.898 -10.507   7.369
  306   2HD   PRO  38          1HD       PRO  38   0.718  -9.260   7.829
  307    H    SER  39           H        SER  39   2.451 -11.025   4.959
  308    HA   SER  39           HA       SER  39   4.666 -11.544   3.345
  309   1HB   SER  39          1HB       SER  39   3.384 -13.242   4.653
  310   2HB   SER  39          1HB       SER  39   2.109 -13.155   3.438
  311    HG   SER  39           HG       SER  39   3.848 -14.844   3.245
  312    H    GLN  40           H        GLN  40   1.684 -10.103   2.474
  313    HA   GLN  40           HA       GLN  40   2.288 -10.591  -0.371
  314   1HB   GLN  40          1HB       GLN  40  -0.381 -10.191   0.978
  315   2HB   GLN  40          1HB       GLN  40  -0.159 -10.165  -0.766
  316   1HG   GLN  40          1HG       GLN  40   0.809 -12.515   0.784
  317   2HG   GLN  40          1HG       GLN  40  -0.915 -12.343   0.460
  318   1HE2  GLN  40          1HE2      GLN  40   1.984 -13.501  -0.698
  319   2HE2  GLN  40          2HE2      GLN  40   1.535 -13.750  -2.347
  320    H    SER  41           H        SER  41   3.553  -8.521   0.971
  321    HA   SER  41           HA       SER  41   2.156  -6.068   0.701
  322   1HB   SER  41          1HB       SER  41   4.508  -6.870   1.925
  323   2HB   SER  41          1HB       SER  41   5.061  -5.818   0.623
  324    HG   SER  41           HG       SER  41   3.857  -4.162   1.452
  325    H    ALA  42           H        ALA  42   5.001  -7.272  -1.127
  326    HA   ALA  42           HA       ALA  42   5.114  -5.382  -3.095
  327   1HB   ALA  42          1HB       ALA  42   6.457  -6.813  -4.265
  328   2HB   ALA  42          2HB       ALA  42   5.416  -8.207  -3.973
  329   3HB   ALA  42          3HB       ALA  42   6.476  -7.614  -2.694
  330    H    ASN  43           H        ASN  43   2.755  -7.958  -2.829
  331    HA   ASN  43           HA       ASN  43   1.671  -7.558  -5.450
  332   1HB   ASN  43          1HB       ASN  43   1.050  -9.229  -3.095
  333   2HB   ASN  43          1HB       ASN  43  -0.340  -8.782  -4.079
  334   1HD2  ASN  43          1HD2      ASN  43   2.030 -11.022  -3.654
  335   2HD2  ASN  43          2HD2      ASN  43   2.034 -11.737  -5.227
  336    H    LEU  44           H        LEU  44   0.911  -6.504  -2.189
  337    HA   LEU  44           HA       LEU  44  -1.491  -5.129  -2.816
  338   1HB   LEU  44          1HB       LEU  44  -0.970  -5.907  -0.563
  339   2HB   LEU  44          1HB       LEU  44   0.406  -4.828  -0.492
  340    HG   LEU  44           HG       LEU  44  -2.028  -3.376  -1.090
  341   1HD1  LEU  44          1HD1      LEU  44  -1.966  -5.063   1.403
  342   2HD1  LEU  44          2HD1      LEU  44  -3.202  -5.038   0.145
  343   3HD1  LEU  44          3HD1      LEU  44  -2.993  -3.644   1.204
  344   1HD2  LEU  44          1HD2      LEU  44  -0.716  -2.887   1.463
  345   2HD2  LEU  44          2HD2      LEU  44  -0.972  -1.806   0.093
  346   3HD2  LEU  44          3HD2      LEU  44   0.405  -2.907   0.101
  347    H    LEU  45           H        LEU  45   1.834  -4.394  -3.066
  348    HA   LEU  45           HA       LEU  45   1.588  -1.528  -3.129
  349   1HB   LEU  45          1HB       LEU  45   3.666  -3.151  -2.669
  350   2HB   LEU  45          1HB       LEU  45   3.880  -2.951  -4.388
  351    HG   LEU  45           HG       LEU  45   4.146  -0.574  -4.167
  352   1HD1  LEU  45          1HD1      LEU  45   3.187  -1.073  -1.392
  353   2HD1  LEU  45          2HD1      LEU  45   2.744   0.201  -2.528
  354   3HD1  LEU  45          3HD1      LEU  45   4.294   0.267  -1.688
  355   1HD2  LEU  45          1HD2      LEU  45   6.179  -1.742  -3.875
  356   2HD2  LEU  45          2HD2      LEU  45   5.767  -2.196  -2.222
  357   3HD2  LEU  45          3HD2      LEU  45   6.134  -0.515  -2.608
  358    H    ALA  46           H        ALA  46   2.461  -4.028  -5.433
  359    HA   ALA  46           HA       ALA  46   2.295  -2.479  -7.761
  360   1HB   ALA  46          1HB       ALA  46   1.697  -5.428  -7.477
  361   2HB   ALA  46          2HB       ALA  46   3.303  -4.727  -7.678
  362   3HB   ALA  46          3HB       ALA  46   2.111  -4.583  -8.970
  363    H    GLU  47           H        GLU  47  -0.147  -3.988  -5.798
  364    HA   GLU  47           HA       GLU  47  -2.266  -3.713  -7.720
  365   1HB   GLU  47          1HB       GLU  47  -2.017  -4.593  -4.911
  366   2HB   GLU  47          1HB       GLU  47  -3.575  -3.904  -5.351
  367   1HG   GLU  47          1HG       GLU  47  -3.870  -5.533  -7.084
  368   2HG   GLU  47          1HG       GLU  47  -2.239  -6.154  -6.837
  369    H    ALA  48           H        ALA  48  -1.338  -1.942  -4.796
  370    HA   ALA  48           HA       ALA  48  -3.357   0.028  -5.034
  371   1HB   ALA  48          1HB       ALA  48  -2.466   0.961  -3.157
  372   2HB   ALA  48          2HB       ALA  48  -0.804   0.726  -3.697
  373   3HB   ALA  48          3HB       ALA  48  -1.717  -0.631  -3.038
  374    H    LYS  49           H        LYS  49  -0.283  -0.449  -6.516
  375    HA   LYS  49           HA       LYS  49   0.088   2.243  -7.379
  376   1HB   LYS  49          1HB       LYS  49   1.976   0.674  -7.099
  377   2HB   LYS  49          1HB       LYS  49   1.310  -0.340  -8.368
  378   1HG   LYS  49          1HG       LYS  49   1.571   2.295  -9.396
  379   2HG   LYS  49          1HG       LYS  49   3.086   1.854  -8.605
  380   1HD   LYS  49          1HD       LYS  49   3.519   0.158 -10.075
  381   2HD   LYS  49          1HD       LYS  49   1.810  -0.159 -10.379
  382   1HE   LYS  49          1HE       LYS  49   2.695   2.480 -11.269
  383   2HE   LYS  49          1HE       LYS  49   3.520   1.148 -12.077
  384   1HZ   LYS  49          1HZ       LYS  49   1.717   1.266 -13.402
  385   2HZ   LYS  49          2HZ       LYS  49   0.731   1.961 -12.217
  386   3HZ   LYS  49          3HZ       LYS  49   1.018   0.295 -12.206
  387    H    LYS  50           H        LYS  50  -1.058  -0.782  -8.848
  388    HA   LYS  50           HA       LYS  50  -1.589   0.308 -11.406
  389   1HB   LYS  50          1HB       LYS  50  -2.341  -2.175  -9.935
  390   2HB   LYS  50          1HB       LYS  50  -3.287  -1.745 -11.353
  391   1HG   LYS  50          1HG       LYS  50  -1.623  -2.246 -12.782
  392   2HG   LYS  50          1HG       LYS  50  -0.366  -1.648 -11.697
  393   1HD   LYS  50          1HD       LYS  50   0.060  -3.911 -11.672
  394   2HD   LYS  50          1HD       LYS  50  -1.008  -3.749 -10.277
  395   1HE   LYS  50          1HE       LYS  50  -1.820  -5.608 -11.466
  396   2HE   LYS  50          1HE       LYS  50  -2.916  -4.286 -11.866
  397   1HZ   LYS  50          1HZ       LYS  50  -1.003  -5.690 -13.556
  398   2HZ   LYS  50          2HZ       LYS  50  -1.168  -4.029 -13.827
  399   3HZ   LYS  50          3HZ       LYS  50  -2.518  -5.042 -13.942
  400    H    LEU  51           H        LEU  51  -3.452  -0.028  -8.452
  401    HA   LEU  51           HA       LEU  51  -5.915   0.815  -9.561
  402   1HB   LEU  51          1HB       LEU  51  -4.885   0.696  -6.736
  403   2HB   LEU  51          1HB       LEU  51  -6.494   1.279  -7.119
  404    HG   LEU  51           HG       LEU  51  -5.399  -1.499  -7.492
  405   1HD1  LEU  51          1HD1      LEU  51  -6.744  -2.108  -5.786
  406   2HD1  LEU  51          2HD1      LEU  51  -8.004  -0.954  -6.222
  407   3HD1  LEU  51          3HD1      LEU  51  -6.578  -0.411  -5.339
  408   1HD2  LEU  51          1HD2      LEU  51  -7.632  -0.140  -8.880
  409   2HD2  LEU  51          2HD2      LEU  51  -7.934  -1.773  -8.285
  410   3HD2  LEU  51          3HD2      LEU  51  -6.609  -1.475  -9.410
  411    H    ASN  52           H        ASN  52  -3.417   2.524  -7.686
  412    HA   ASN  52           HA       ASN  52  -4.598   5.010  -7.599
  413   1HB   ASN  52          1HB       ASN  52  -2.514   4.267  -6.427
  414   2HB   ASN  52          1HB       ASN  52  -1.738   4.649  -7.921
  415   1HD2  ASN  52          1HD2      ASN  52  -0.721   6.474  -7.823
  416   2HD2  ASN  52          2HD2      ASN  52  -1.302   7.905  -7.060
  417    H    ASP  53           H        ASP  53  -2.547   3.615 -10.027
  418    HA   ASP  53           HA       ASP  53  -2.492   5.920 -11.702
  419   1HB   ASP  53          1HB       ASP  53  -0.818   4.025 -11.707
  420   2HB   ASP  53          1HB       ASP  53  -2.034   3.057 -12.537
  421    H    ALA  54           H        ALA  54  -4.520   3.083 -11.489
  422    HA   ALA  54           HA       ALA  54  -5.864   3.339 -13.942
  423   1HB   ALA  54          1HB       ALA  54  -7.682   2.029 -12.515
  424   2HB   ALA  54          2HB       ALA  54  -6.303   1.842 -11.432
  425   3HB   ALA  54          3HB       ALA  54  -6.201   1.269 -13.096
  426    H    GLN  55           H        GLN  55  -6.407   4.936 -10.855
  427    HA   GLN  55           HA       GLN  55  -8.904   6.050 -11.909
  428   1HB   GLN  55          1HB       GLN  55  -8.327   7.007  -9.258
  429   2HB   GLN  55          1HB       GLN  55  -9.701   6.078  -9.828
  430   1HG   GLN  55          1HG       GLN  55  -8.952   4.565  -8.359
  431   2HG   GLN  55          1HG       GLN  55  -7.840   4.133  -9.651
  432   1HE2  GLN  55          1HE2      GLN  55  -7.459   3.737  -6.894
  433   2HE2  GLN  55          2HE2      GLN  55  -6.082   4.653  -6.432
  434    H    ALA  56           H        ALA  56  -6.093   6.790 -12.687
  435    HA   ALA  56           HA       ALA  56  -5.594   9.401 -11.671
  436   1HB   ALA  56          1HB       ALA  56  -4.527   8.541 -14.313
  437   2HB   ALA  56          2HB       ALA  56  -4.008   7.681 -12.863
  438   3HB   ALA  56          3HB       ALA  56  -3.733   9.417 -13.005
  439    HA   PRO  57           HA       PRO  57  -7.867  12.206 -14.171
  440   1HB   PRO  57          1HB       PRO  57  -5.410  13.186 -15.518
  441   2HB   PRO  57          1HB       PRO  57  -6.613  14.079 -14.582
  442   1HG   PRO  57          1HG       PRO  57  -4.203  13.553 -13.565
  443   2HG   PRO  57          1HG       PRO  57  -5.657  13.499 -12.551
  444   1HD   PRO  57          1HD       PRO  57  -4.080  11.247 -13.729
  445   2HD   PRO  57          1HD       PRO  57  -4.854  11.369 -12.135
  446    H    LYS  58           H        LYS  58  -8.999  12.064 -16.016
  447    HA   LYS  58           HA       LYS  58  -8.051  10.253 -18.078
  448   1HB   LYS  58          1HB       LYS  58 -10.330  10.421 -18.975
  449   2HB   LYS  58          1HB       LYS  58 -10.340  10.002 -17.267
  450   1HG   LYS  58          1HG       LYS  58 -10.502  12.709 -17.146
  451   2HG   LYS  58          1HG       LYS  58 -11.381  12.373 -18.638
  452   1HD   LYS  58          1HD       LYS  58 -13.125  11.510 -17.534
  453   2HD   LYS  58          1HD       LYS  58 -12.085  10.545 -16.483
  454   1HE   LYS  58          1HE       LYS  58 -13.284  12.064 -15.096
  455   2HE   LYS  58          1HE       LYS  58 -11.617  12.631 -15.180
  456   1HZ   LYS  58          1HZ       LYS  58 -14.046  13.858 -16.192
  457   2HZ   LYS  58          2HZ       LYS  58 -12.696  13.973 -17.205
  458   3HZ   LYS  58          3HZ       LYS  58 -12.623  14.577 -15.627
  Start of MODEL    7
    1   1H    VAL   1          1HT       VAL   1  10.971  -8.699  19.922
    2   2H    VAL   1          2HT       VAL   1  12.455  -8.632  20.783
    3   3H    VAL   1          3HT       VAL   1  12.136  -9.939  19.716
    4    HA   VAL   1           HA       VAL   1  12.728  -7.140  19.103
    5    HB   VAL   1           HB       VAL   1  13.831  -9.696  17.935
    6   1HG1  VAL   1          1HG1      VAL   1  15.641  -8.240  17.153
    7   2HG1  VAL   1          2HG1      VAL   1  14.816  -6.846  17.849
    8   3HG1  VAL   1          3HG1      VAL   1  14.076  -7.733  16.517
    9   1HG2  VAL   1          1HG2      VAL   1  14.251  -9.431  20.409
   10   2HG2  VAL   1          2HG2      VAL   1  15.169  -7.978  20.013
   11   3HG2  VAL   1          3HG2      VAL   1  15.691  -9.547  19.397
   12    H    ASP   2           H        ASP   2  10.646  -9.723  18.242
   13    HA   ASP   2           HA       ASP   2  10.430  -9.274  15.477
   14   1HB   ASP   2          1HB       ASP   2   8.143 -10.327  15.747
   15   2HB   ASP   2          1HB       ASP   2   9.489 -11.281  16.365
   16    H    ASN   3           H        ASN   3   9.127  -7.916  14.278
   17    HA   ASN   3           HA       ASN   3   7.543  -5.930  15.766
   18   1HB   ASN   3          1HB       ASN   3   9.551  -5.424  13.571
   19   2HB   ASN   3          1HB       ASN   3   8.339  -4.239  14.051
   20   1HD2  ASN   3          1HD2      ASN   3  11.448  -5.040  14.418
   21   2HD2  ASN   3          2HD2      ASN   3  11.758  -4.385  15.986
   22    H    LYS   4           H        LYS   4   6.122  -4.631  14.247
   23    HA   LYS   4           HA       LYS   4   4.247  -6.261  13.065
   24   1HB   LYS   4          1HB       LYS   4   4.754  -3.403  13.220
   25   2HB   LYS   4          1HB       LYS   4   3.983  -3.848  11.704
   26   1HG   LYS   4          1HG       LYS   4   2.261  -3.311  13.234
   27   2HG   LYS   4          1HG       LYS   4   2.255  -5.066  13.048
   28   1HD   LYS   4          1HD       LYS   4   3.781  -5.070  15.126
   29   2HD   LYS   4          1HD       LYS   4   3.211  -3.417  15.363
   30   1HE   LYS   4          1HE       LYS   4   0.853  -4.466  15.094
   31   2HE   LYS   4          1HE       LYS   4   1.674  -5.984  15.453
   32   1HZ   LYS   4          1HZ       LYS   4   1.034  -5.276  17.526
   33   2HZ   LYS   4          2HZ       LYS   4   1.275  -3.638  17.180
   34   3HZ   LYS   4          3HZ       LYS   4   2.604  -4.649  17.450
   35    H    PHE   5           H        PHE   5   5.808  -3.900  10.943
   36    HA   PHE   5           HA       PHE   5   5.938  -5.972   8.877
   37   1HB   PHE   5          1HB       PHE   5   6.128  -2.984   8.533
   38   2HB   PHE   5          1HB       PHE   5   5.829  -4.184   7.280
   39    HD1  PHE   5           HD1      PHE   5   4.261  -1.621   8.427
   40    HD2  PHE   5           HD2      PHE   5   3.760  -5.843   8.631
   41    HE1  PHE   5           HE1      PHE   5   1.842  -1.316   8.750
   42    HE2  PHE   5           HE2      PHE   5   1.344  -5.545   8.956
   43    HZ   PHE   5           HZ       PHE   5   0.380  -3.278   9.013
   44    H    ASN   6           H        ASN   6   7.694  -5.044   7.118
   45    HA   ASN   6           HA       ASN   6  10.230  -4.692   8.573
   46   1HB   ASN   6          1HB       ASN   6   9.451  -6.789   6.614
   47   2HB   ASN   6          1HB       ASN   6  11.081  -6.136   6.480
   48   1HD2  ASN   6          1HD2      ASN   6  12.242  -5.989   8.651
   49   2HD2  ASN   6          2HD2      ASN   6  12.106  -7.374   9.674
   50    H    LYS   7           H        LYS   7  12.007  -4.387   6.653
   51    HA   LYS   7           HA       LYS   7  11.718  -1.796   5.761
   52   1HB   LYS   7          1HB       LYS   7  13.597  -2.341   4.173
   53   2HB   LYS   7          1HB       LYS   7  13.895  -2.733   5.861
   54   1HG   LYS   7          1HG       LYS   7  12.922  -5.085   5.040
   55   2HG   LYS   7          1HG       LYS   7  13.606  -4.506   3.520
   56   1HD   LYS   7          1HD       LYS   7  15.577  -5.257   4.243
   57   2HD   LYS   7          1HD       LYS   7  15.558  -3.938   5.414
   58   1HE   LYS   7          1HE       LYS   7  14.134  -6.487   6.035
   59   2HE   LYS   7          1HE       LYS   7  15.887  -6.406   6.207
   60   1HZ   LYS   7          1HZ       LYS   7  13.805  -4.991   7.718
   61   2HZ   LYS   7          2HZ       LYS   7  15.320  -4.261   7.539
   62   3HZ   LYS   7          3HZ       LYS   7  15.194  -5.776   8.280
   63    H    GLU   8           H        GLU   8  11.372  -4.742   3.764
   64    HA   GLU   8           HA       GLU   8  10.637  -3.452   1.401
   65   1HB   GLU   8          1HB       GLU   8   9.709  -6.176   2.317
   66   2HB   GLU   8          1HB       GLU   8   9.787  -5.592   0.661
   67   1HG   GLU   8          1HG       GLU   8  12.023  -5.895   0.505
   68   2HG   GLU   8          1HG       GLU   8  12.302  -5.550   2.211
   69    H    GLN   9           H        GLN   9   8.524  -4.980   3.818
   70    HA   GLN   9           HA       GLN   9   6.092  -4.208   2.665
   71   1HB   GLN   9          1HB       GLN   9   6.574  -5.928   4.514
   72   2HB   GLN   9          1HB       GLN   9   6.495  -4.566   5.619
   73   1HG   GLN   9          1HG       GLN   9   4.239  -4.255   5.289
   74   2HG   GLN   9          1HG       GLN   9   4.259  -5.037   3.711
   75   1HE2  GLN   9          1HE2      GLN   9   3.410  -6.948   3.620
   76   2HE2  GLN   9          2HE2      GLN   9   3.243  -8.052   4.929
   77    H    GLN  10           H        GLN  10   8.217  -2.539   4.924
   78    HA   GLN  10           HA       GLN  10   6.334  -0.428   5.421
   79   1HB   GLN  10          1HB       GLN  10   9.210  -0.872   6.184
   80   2HB   GLN  10          1HB       GLN  10   8.387   0.644   6.523
   81   1HG   GLN  10          1HG       GLN  10   6.604  -0.966   7.607
   82   2HG   GLN  10          1HG       GLN  10   7.994  -2.040   7.727
   83   1HE2  GLN  10          1HE2      GLN  10   6.445  -0.765   9.808
   84   2HE2  GLN  10          2HE2      GLN  10   7.558   0.175  10.728
   85    H    ASN  11           H        ASN  11   8.855  -1.069   3.110
   86    HA   ASN  11           HA       ASN  11   9.150   1.688   2.309
   87   1HB   ASN  11          1HB       ASN  11  10.231  -0.930   1.458
   88   2HB   ASN  11          1HB       ASN  11   9.972   0.214   0.146
   89   1HD2  ASN  11          1HD2      ASN  11  12.165   0.367  -0.221
   90   2HD2  ASN  11          2HD2      ASN  11  13.203   1.256   0.828
   91    H    ALA  12           H        ALA  12   7.297  -1.147   1.409
   92    HA   ALA  12           HA       ALA  12   6.021  -0.005  -0.859
   93   1HB   ALA  12          1HB       ALA  12   4.408  -1.871  -0.591
   94   2HB   ALA  12          2HB       ALA  12   5.192  -2.291   0.931
   95   3HB   ALA  12          3HB       ALA  12   6.087  -2.411  -0.584
   96    H    PHE  13           H        PHE  13   5.301  -0.255   2.577
   97    HA   PHE  13           HA       PHE  13   2.725   0.781   2.603
   98   1HB   PHE  13          1HB       PHE  13   4.050  -0.277   4.511
   99   2HB   PHE  13          1HB       PHE  13   4.768   1.317   4.738
  100    HD1  PHE  13           HD1      PHE  13   3.063   3.275   4.885
  101    HD2  PHE  13           HD2      PHE  13   2.152  -0.796   5.667
  102    HE1  PHE  13           HE1      PHE  13   1.108   3.976   6.208
  103    HE2  PHE  13           HE2      PHE  13   0.197  -0.113   7.000
  104    HZ   PHE  13           HZ       PHE  13  -0.330   2.281   7.267
  105    H    TYR  14           H        TYR  14   5.821   2.432   2.948
  106    HA   TYR  14           HA       TYR  14   4.752   5.042   3.141
  107   1HB   TYR  14          1HB       TYR  14   7.388   3.831   2.884
  108   2HB   TYR  14          1HB       TYR  14   7.262   5.318   1.948
  109    HD1  TYR  14           HD1      TYR  14   8.178   7.106   3.064
  110    HD2  TYR  14           HD2      TYR  14   5.994   4.217   5.296
  111    HE1  TYR  14           HE1      TYR  14   8.531   8.427   5.107
  112    HE2  TYR  14           HE2      TYR  14   6.341   5.531   7.346
  113    HH   TYR  14           HH       TYR  14   6.836   7.834   7.997
  114    H    GLU  15           H        GLU  15   5.750   3.038   0.414
  115    HA   GLU  15           HA       GLU  15   5.566   4.964  -1.607
  116   1HB   GLU  15          1HB       GLU  15   5.810   2.108  -1.438
  117   2HB   GLU  15          1HB       GLU  15   4.608   2.510  -2.657
  118   1HG   GLU  15          1HG       GLU  15   6.785   2.306  -3.668
  119   2HG   GLU  15          1HG       GLU  15   6.230   3.978  -3.759
  120    H    ILE  16           H        ILE  16   3.147   2.974  -0.036
  121    HA   ILE  16           HA       ILE  16   0.973   3.733  -1.705
  122    HB   ILE  16           HB       ILE  16   1.398   2.133   0.735
  123   1HG1  ILE  16          1HG1      ILE  16  -0.693   1.427  -1.224
  124   2HG1  ILE  16          1HG1      ILE  16   0.932   1.580  -1.885
  125   1HG2  ILE  16          1HG2      ILE  16  -1.164   3.599   0.241
  126   2HG2  ILE  16          2HG2      ILE  16  -0.313   3.307   1.760
  127   3HG2  ILE  16          3HG2      ILE  16  -1.188   1.994   0.972
  128   1HD1  ILE  16          1HD1      ILE  16   1.758  -0.078  -0.355
  129   2HD1  ILE  16          2HD1      ILE  16   0.354  -0.717  -1.211
  130   3HD1  ILE  16          3HD1      ILE  16   0.193  -0.160   0.455
  131    H    LEU  17           H        LEU  17   2.223   4.747   1.434
  132    HA   LEU  17           HA       LEU  17   0.142   6.519   2.104
  133   1HB   LEU  17          1HB       LEU  17   2.895   6.000   3.017
  134   2HB   LEU  17          1HB       LEU  17   2.304   7.622   3.324
  135    HG   LEU  17           HG       LEU  17   0.964   5.076   4.240
  136   1HD1  LEU  17          1HD1      LEU  17   2.623   7.115   5.708
  137   2HD1  LEU  17          2HD1      LEU  17   2.991   5.407   5.467
  138   3HD1  LEU  17          3HD1      LEU  17   1.638   5.881   6.494
  139   1HD2  LEU  17          1HD2      LEU  17   0.197   7.584   5.503
  140   2HD2  LEU  17          2HD2      LEU  17  -0.807   6.282   4.866
  141   3HD2  LEU  17          3HD2      LEU  17  -0.195   7.532   3.785
  142    H    HIS  18           H        HIS  18   2.600   6.726  -0.260
  143    HA   HIS  18           HA       HIS  18   2.473   9.643  -0.347
  144   1HB   HIS  18          1HB       HIS  18   4.665   8.400  -0.392
  145   2HB   HIS  18          1HB       HIS  18   4.232   7.847  -2.006
  146    HD1  HIS  18           HD1      HIS  18   3.739  11.344  -0.639
  147    HD2  HIS  18           HD2      HIS  18   5.982   9.326  -3.495
  148    HE1  HIS  18           HE1      HIS  18   4.934  13.132  -1.941
  149    HE2  HIS  18           HE2      HIS  18   6.354  11.883  -3.605
  150    H    LEU  19           H        LEU  19   0.580   7.314  -1.680
  151    HA   LEU  19           HA       LEU  19   0.626   8.170  -4.404
  152   1HB   LEU  19          1HB       LEU  19  -1.834   6.894  -3.337
  153   2HB   LEU  19          1HB       LEU  19  -1.007   6.644  -4.840
  154    HG   LEU  19           HG       LEU  19   0.500   5.709  -2.536
  155   1HD1  LEU  19          1HD1      LEU  19  -1.637   3.833  -3.248
  156   2HD1  LEU  19          2HD1      LEU  19  -2.165   5.231  -2.311
  157   3HD1  LEU  19          3HD1      LEU  19  -0.908   4.170  -1.681
  158   1HD2  LEU  19          1HD2      LEU  19   1.299   4.215  -4.023
  159   2HD2  LEU  19          2HD2      LEU  19   0.660   5.374  -5.188
  160   3HD2  LEU  19          3HD2      LEU  19  -0.281   3.945  -4.760
  161    HA   PRO  20           HA       PRO  20  -1.629  11.924  -3.449
  162   1HB   PRO  20          1HB       PRO  20  -1.357  13.116  -5.829
  163   2HB   PRO  20          1HB       PRO  20   0.000  12.933  -4.711
  164   1HG   PRO  20          1HG       PRO  20  -0.708  11.289  -7.114
  165   2HG   PRO  20          1HG       PRO  20   0.875  11.914  -6.616
  166   1HD   PRO  20          1HD       PRO  20   0.061   9.354  -6.150
  167   2HD   PRO  20          1HD       PRO  20   1.210  10.216  -5.110
  168    H    ASN  21           H        ASN  21  -2.489   9.898  -6.247
  169    HA   ASN  21           HA       ASN  21  -5.124  11.183  -6.224
  170   1HB   ASN  21          1HB       ASN  21  -5.297   9.865  -8.507
  171   2HB   ASN  21          1HB       ASN  21  -4.487  11.420  -8.412
  172   1HD2  ASN  21          1HD2      ASN  21  -2.709  11.523  -9.444
  173   2HD2  ASN  21          2HD2      ASN  21  -1.611  10.232  -9.721
  174    H    LEU  22           H        LEU  22  -4.361   9.211  -4.323
  175    HA   LEU  22           HA       LEU  22  -5.912   6.856  -5.099
  176   1HB   LEU  22          1HB       LEU  22  -3.544   6.985  -3.859
  177   2HB   LEU  22          1HB       LEU  22  -4.594   7.033  -2.455
  178    HG   LEU  22           HG       LEU  22  -5.653   4.990  -3.943
  179   1HD1  LEU  22          1HD1      LEU  22  -4.051   4.537  -5.476
  180   2HD1  LEU  22          2HD1      LEU  22  -3.389   3.608  -4.132
  181   3HD1  LEU  22          3HD1      LEU  22  -2.758   5.217  -4.488
  182   1HD2  LEU  22          1HD2      LEU  22  -3.987   5.240  -1.521
  183   2HD2  LEU  22          2HD2      LEU  22  -4.116   3.626  -2.220
  184   3HD2  LEU  22          3HD2      LEU  22  -5.571   4.498  -1.738
  185    H    ASN  23           H        ASN  23  -7.716   6.185  -4.010
  186    HA   ASN  23           HA       ASN  23  -9.064   8.244  -2.441
  187   1HB   ASN  23          1HB       ASN  23  -9.976   6.509  -4.376
  188   2HB   ASN  23          1HB       ASN  23 -10.503   5.723  -2.893
  189   1HD2  ASN  23          1HD2      ASN  23 -12.319   6.630  -4.679
  190   2HD2  ASN  23          2HD2      ASN  23 -13.150   7.996  -4.033
  191    H    GLU  24           H        GLU  24  -9.827   7.937  -0.356
  192    HA   GLU  24           HA       GLU  24  -8.230   6.647   1.443
  193   1HB   GLU  24          1HB       GLU  24 -10.780   8.001   1.499
  194   2HB   GLU  24          1HB       GLU  24 -10.754   6.671   2.649
  195   1HG   GLU  24          1HG       GLU  24  -9.942   8.343   3.955
  196   2HG   GLU  24          1HG       GLU  24  -8.432   7.710   3.301
  197    H    GLU  25           H        GLU  25 -11.255   5.431   0.062
  198    HA   GLU  25           HA       GLU  25 -11.525   3.099   1.511
  199   1HB   GLU  25          1HB       GLU  25 -12.130   3.384  -1.433
  200   2HB   GLU  25          1HB       GLU  25 -12.862   2.244  -0.312
  201   1HG   GLU  25          1HG       GLU  25 -14.389   3.719   0.321
  202   2HG   GLU  25          1HG       GLU  25 -13.171   4.959   0.611
  203    H    GLN  26           H        GLN  26  -9.571   3.639  -1.385
  204    HA   GLN  26           HA       GLN  26  -8.709   0.919  -1.505
  205   1HB   GLN  26          1HB       GLN  26  -7.363   3.250  -2.855
  206   2HB   GLN  26          1HB       GLN  26  -7.372   1.565  -3.358
  207   1HG   GLN  26          1HG       GLN  26 -10.049   2.266  -3.304
  208   2HG   GLN  26          1HG       GLN  26  -9.240   3.691  -3.954
  209   1HE2  GLN  26          1HE2      GLN  26  -7.534   3.131  -5.649
  210   2HE2  GLN  26          2HE2      GLN  26  -8.006   1.974  -6.842
  211    H    ARG  27           H        ARG  27  -7.203   3.972  -0.487
  212    HA   ARG  27           HA       ARG  27  -4.702   2.922   0.160
  213   1HB   ARG  27          1HB       ARG  27  -5.514   5.381   0.054
  214   2HB   ARG  27          1HB       ARG  27  -5.940   5.150   1.741
  215   1HG   ARG  27          1HG       ARG  27  -3.629   4.580   2.261
  216   2HG   ARG  27          1HG       ARG  27  -3.195   4.781   0.563
  217   1HD   ARG  27          1HD       ARG  27  -4.010   6.860   2.562
  218   2HD   ARG  27          1HD       ARG  27  -2.565   6.795   1.557
  219    HE   ARG  27           HE       ARG  27  -5.243   7.262   0.419
  220   1HH1  ARG  27          1HH1      ARG  27  -1.873   8.149   0.741
  221   2HH1  ARG  27          2HH1      ARG  27  -1.962   9.383  -0.467
  222   1HH2  ARG  27          1HH2      ARG  27  -5.348   8.885  -1.163
  223   2HH2  ARG  27          2HH2      ARG  27  -3.929   9.802  -1.546
  224    H    ASN  28           H        ASN  28  -7.711   3.011   2.025
  225    HA   ASN  28           HA       ASN  28  -6.443   2.042   4.410
  226   1HB   ASN  28          1HB       ASN  28  -8.622   1.973   5.375
  227   2HB   ASN  28          1HB       ASN  28  -8.536   3.424   4.393
  228   1HD2  ASN  28          1HD2      ASN  28  -9.651   0.073   4.334
  229   2HD2  ASN  28          2HD2      ASN  28 -11.003   0.365   3.303
  230    H    ALA  29           H        ALA  29  -8.560   0.650   1.936
  231    HA   ALA  29           HA       ALA  29  -8.706  -1.943   2.950
  232   1HB   ALA  29          1HB       ALA  29  -8.951  -2.570   0.447
  233   2HB   ALA  29          2HB       ALA  29  -8.890  -0.829   0.174
  234   3HB   ALA  29          3HB       ALA  29 -10.160  -1.520   1.185
  235    H    PHE  30           H        PHE  30  -6.249  -0.438   0.936
  236    HA   PHE  30           HA       PHE  30  -4.709  -2.797   0.548
  237   1HB   PHE  30          1HB       PHE  30  -4.304   0.112   0.063
  238   2HB   PHE  30          1HB       PHE  30  -2.906  -0.950   0.038
  239    HD1  PHE  30           HD1      PHE  30  -6.390  -0.874  -1.328
  240    HD2  PHE  30           HD2      PHE  30  -2.287  -1.773  -2.004
  241    HE1  PHE  30           HE1      PHE  30  -6.913  -1.497  -3.650
  242    HE2  PHE  30           HE2      PHE  30  -2.802  -2.400  -4.324
  243    HZ   PHE  30           HZ       PHE  30  -5.114  -2.260  -5.152
  244    H    ILE  31           H        ILE  31  -4.172   0.068   2.600
  245    HA   ILE  31           HA       ILE  31  -1.860  -0.850   3.866
  246    HB   ILE  31           HB       ILE  31  -4.026   1.004   4.847
  247   1HG1  ILE  31          1HG1      ILE  31  -2.642   1.716   2.901
  248   2HG1  ILE  31          1HG1      ILE  31  -2.446   2.757   4.308
  249   1HG2  ILE  31          1HG2      ILE  31  -2.012   1.697   6.424
  250   2HG2  ILE  31          2HG2      ILE  31  -1.607  -0.009   6.237
  251   3HG2  ILE  31          3HG2      ILE  31  -3.177   0.458   6.890
  252   1HD1  ILE  31          1HD1      ILE  31  -0.461   1.422   2.821
  253   2HD1  ILE  31          2HD1      ILE  31  -0.495   0.696   4.427
  254   3HD1  ILE  31          3HD1      ILE  31  -0.264   2.435   4.250
  255    H    GLN  32           H        GLN  32  -5.239  -1.058   4.998
  256    HA   GLN  32           HA       GLN  32  -4.742  -2.573   7.299
  257   1HB   GLN  32          1HB       GLN  32  -6.878  -1.441   6.868
  258   2HB   GLN  32          1HB       GLN  32  -7.205  -2.550   5.543
  259   1HG   GLN  32          1HG       GLN  32  -8.389  -3.633   7.109
  260   2HG   GLN  32          1HG       GLN  32  -6.817  -4.316   7.523
  261   1HE2  GLN  32          1HE2      GLN  32  -7.245  -4.641   9.657
  262   2HE2  GLN  32          2HE2      GLN  32  -7.475  -3.357  10.789
  263    H    SER  33           H        SER  33  -5.822  -3.664   4.083
  264    HA   SER  33           HA       SER  33  -5.798  -6.392   4.582
  265   1HB   SER  33          1HB       SER  33  -6.740  -5.436   2.531
  266   2HB   SER  33          1HB       SER  33  -5.123  -4.987   1.991
  267    HG   SER  33           HG       SER  33  -4.608  -7.233   1.999
  268    H    LEU  34           H        LEU  34  -3.181  -4.226   3.799
  269    HA   LEU  34           HA       LEU  34  -1.211  -6.188   3.297
  270   1HB   LEU  34          1HB       LEU  34  -0.723  -4.066   2.448
  271   2HB   LEU  34          1HB       LEU  34  -1.201  -3.260   3.926
  272    HG   LEU  34           HG       LEU  34   1.290  -3.307   3.322
  273   1HD1  LEU  34          1HD1      LEU  34   1.408  -2.589   5.411
  274   2HD1  LEU  34          2HD1      LEU  34   1.422  -4.256   5.985
  275   3HD1  LEU  34          3HD1      LEU  34  -0.110  -3.402   5.793
  276   1HD2  LEU  34          1HD2      LEU  34   1.724  -5.772   4.763
  277   2HD2  LEU  34          2HD2      LEU  34   2.391  -5.236   3.221
  278   3HD2  LEU  34          3HD2      LEU  34   0.831  -6.054   3.268
  279    H    LYS  35           H        LYS  35  -2.291  -4.455   6.159
  280    HA   LYS  35           HA       LYS  35  -0.248  -5.446   7.871
  281   1HB   LYS  35          1HB       LYS  35  -1.470  -3.365   8.355
  282   2HB   LYS  35          1HB       LYS  35  -2.956  -4.285   8.549
  283   1HG   LYS  35          1HG       LYS  35  -1.156  -5.502  10.280
  284   2HG   LYS  35          1HG       LYS  35  -0.840  -3.775  10.445
  285   1HD   LYS  35          1HD       LYS  35  -2.603  -3.665  11.799
  286   2HD   LYS  35          1HD       LYS  35  -3.622  -4.001  10.399
  287   1HE   LYS  35          1HE       LYS  35  -4.044  -6.103  11.063
  288   2HE   LYS  35          1HE       LYS  35  -2.381  -6.376  11.579
  289   1HZ   LYS  35          1HZ       LYS  35  -4.615  -5.196  13.099
  290   2HZ   LYS  35          2HZ       LYS  35  -3.015  -4.859  13.530
  291   3HZ   LYS  35          3HZ       LYS  35  -3.574  -6.455  13.541
  292    H    ASP  36           H        ASP  36  -3.335  -6.641   6.807
  293    HA   ASP  36           HA       ASP  36  -3.414  -8.657   8.893
  294   1HB   ASP  36          1HB       ASP  36  -5.288  -7.620   6.873
  295   2HB   ASP  36          1HB       ASP  36  -5.414  -9.352   7.165
  296    H    ASP  37           H        ASP  37  -2.798  -8.442   5.416
  297    HA   ASP  37           HA       ASP  37  -2.536 -11.278   5.071
  298   1HB   ASP  37          1HB       ASP  37  -3.138  -9.254   3.404
  299   2HB   ASP  37          1HB       ASP  37  -1.417  -9.387   3.080
  300    HA   PRO  38           HA       PRO  38   1.702 -12.049   5.985
  301   1HB   PRO  38          1HB       PRO  38   2.046 -13.040   3.191
  302   2HB   PRO  38          1HB       PRO  38   2.408 -13.842   4.725
  303   1HG   PRO  38          1HG       PRO  38   0.268 -14.551   3.349
  304   2HG   PRO  38          1HG       PRO  38   0.169 -14.378   5.114
  305   1HD   PRO  38          1HD       PRO  38  -0.745 -12.496   2.972
  306   2HD   PRO  38          1HD       PRO  38  -1.566 -12.965   4.476
  307    H    SER  39           H        SER  39   3.666 -12.167   3.609
  308    HA   SER  39           HA       SER  39   4.347  -9.336   3.714
  309   1HB   SER  39          1HB       SER  39   5.904 -11.499   4.143
  310   2HB   SER  39          1HB       SER  39   6.204 -11.249   2.423
  311    HG   SER  39           HG       SER  39   6.404  -9.191   4.362
  312    H    GLN  40           H        GLN  40   2.230 -10.348   1.968
  313    HA   GLN  40           HA       GLN  40   3.284 -10.243  -0.724
  314   1HB   GLN  40          1HB       GLN  40   0.637 -10.729   0.525
  315   2HB   GLN  40          1HB       GLN  40   0.637 -10.085  -1.111
  316   1HG   GLN  40          1HG       GLN  40   2.505 -12.146  -1.155
  317   2HG   GLN  40          1HG       GLN  40   1.169 -12.759  -0.183
  318   1HE2  GLN  40          1HE2      GLN  40   2.139 -11.579  -3.310
  319   2HE2  GLN  40          2HE2      GLN  40   0.756 -12.145  -4.177
  320    H    SER  41           H        SER  41   3.626  -7.860   1.025
  321    HA   SER  41           HA       SER  41   1.873  -5.795   0.361
  322   1HB   SER  41          1HB       SER  41   3.983  -5.939   1.989
  323   2HB   SER  41          1HB       SER  41   4.772  -5.162   0.617
  324    HG   SER  41           HG       SER  41   3.913  -3.606   2.015
  325    H    ALA  42           H        ALA  42   4.898  -6.799  -1.254
  326    HA   ALA  42           HA       ALA  42   5.124  -4.903  -3.203
  327   1HB   ALA  42          1HB       ALA  42   5.832  -7.767  -3.037
  328   2HB   ALA  42          2HB       ALA  42   6.842  -6.364  -3.384
  329   3HB   ALA  42          3HB       ALA  42   5.823  -7.050  -4.649
  330    H    ASN  43           H        ASN  43   2.831  -7.571  -3.156
  331    HA   ASN  43           HA       ASN  43   1.894  -7.158  -5.820
  332   1HB   ASN  43          1HB       ASN  43   1.615  -9.297  -4.571
  333   2HB   ASN  43          1HB       ASN  43   0.466  -8.491  -3.507
  334   1HD2  ASN  43          1HD2      ASN  43   0.944 -10.063  -6.484
  335   2HD2  ASN  43          2HD2      ASN  43  -0.663  -9.900  -7.096
  336    H    LEU  44           H        LEU  44   0.890  -6.080  -2.630
  337    HA   LEU  44           HA       LEU  44  -1.446  -4.717  -3.520
  338   1HB   LEU  44          1HB       LEU  44  -0.166  -3.824  -1.013
  339   2HB   LEU  44          1HB       LEU  44  -1.841  -4.219  -1.340
  340    HG   LEU  44           HG       LEU  44   0.387  -6.191  -0.831
  341   1HD1  LEU  44          1HD1      LEU  44  -1.403  -6.697   1.064
  342   2HD1  LEU  44          2HD1      LEU  44  -1.740  -4.980   0.832
  343   3HD1  LEU  44          3HD1      LEU  44  -0.114  -5.509   1.271
  344   1HD2  LEU  44          1HD2      LEU  44  -2.405  -7.103  -0.857
  345   2HD2  LEU  44          2HD2      LEU  44  -0.947  -7.887  -1.465
  346   3HD2  LEU  44          3HD2      LEU  44  -1.751  -6.650  -2.432
  347    H    LEU  45           H        LEU  45   1.870  -4.036  -3.588
  348    HA   LEU  45           HA       LEU  45   1.682  -1.159  -3.557
  349   1HB   LEU  45          1HB       LEU  45   3.712  -2.823  -3.049
  350   2HB   LEU  45          1HB       LEU  45   4.000  -2.594  -4.754
  351    HG   LEU  45           HG       LEU  45   4.275  -0.220  -4.469
  352   1HD1  LEU  45          1HD1      LEU  45   3.249  -0.779  -1.729
  353   2HD1  LEU  45          2HD1      LEU  45   2.827   0.515  -2.850
  354   3HD1  LEU  45          3HD1      LEU  45   4.360   0.567  -1.980
  355   1HD2  LEU  45          1HD2      LEU  45   6.271  -1.476  -4.147
  356   2HD2  LEU  45          2HD2      LEU  45   5.825  -1.874  -2.488
  357   3HD2  LEU  45          3HD2      LEU  45   6.239  -0.214  -2.916
  358    H    ALA  46           H        ALA  46   2.649  -3.595  -5.890
  359    HA   ALA  46           HA       ALA  46   2.599  -1.980  -8.172
  360   1HB   ALA  46          1HB       ALA  46   3.622  -3.988  -8.597
  361   2HB   ALA  46          2HB       ALA  46   2.032  -4.309  -9.288
  362   3HB   ALA  46          3HB       ALA  46   2.432  -4.914  -7.681
  363    H    GLU  47           H        GLU  47   0.069  -3.646  -6.435
  364    HA   GLU  47           HA       GLU  47  -1.937  -3.268  -8.448
  365   1HB   GLU  47          1HB       GLU  47  -1.880  -4.243  -5.642
  366   2HB   GLU  47          1HB       GLU  47  -3.421  -3.656  -6.253
  367   1HG   GLU  47          1HG       GLU  47  -1.790  -5.715  -7.704
  368   2HG   GLU  47          1HG       GLU  47  -2.975  -6.134  -6.468
  369    H    ALA  48           H        ALA  48  -1.252  -1.644  -5.365
  370    HA   ALA  48           HA       ALA  48  -3.286   0.303  -5.651
  371   1HB   ALA  48          1HB       ALA  48  -1.484   1.560  -4.074
  372   2HB   ALA  48          2HB       ALA  48  -0.984  -0.116  -3.863
  373   3HB   ALA  48          3HB       ALA  48  -2.638   0.363  -3.489
  374    H    LYS  49           H        LYS  49  -0.114  -0.052  -6.963
  375    HA   LYS  49           HA       LYS  49   0.284   2.673  -7.673
  376   1HB   LYS  49          1HB       LYS  49   2.165   1.121  -7.413
  377   2HB   LYS  49          1HB       LYS  49   1.546   0.138  -8.730
  378   1HG   LYS  49          1HG       LYS  49   1.754   2.399 -10.068
  379   2HG   LYS  49          1HG       LYS  49   2.939   2.759  -8.811
  380   1HD   LYS  49          1HD       LYS  49   4.322   1.724 -10.290
  381   2HD   LYS  49          1HD       LYS  49   3.744   0.295  -9.430
  382   1HE   LYS  49          1HE       LYS  49   2.872  -0.518 -11.302
  383   2HE   LYS  49          1HE       LYS  49   1.900   0.938 -11.515
  384   1HZ   LYS  49          1HZ       LYS  49   4.404   0.180 -12.773
  385   2HZ   LYS  49          2HZ       LYS  49   4.279   1.806 -12.326
  386   3HZ   LYS  49          3HZ       LYS  49   3.134   1.127 -13.368
  387    H    LYS  50           H        LYS  50  -0.755  -0.251  -9.432
  388    HA   LYS  50           HA       LYS  50  -1.203   1.079 -11.893
  389   1HB   LYS  50          1HB       LYS  50  -2.318  -1.498 -10.770
  390   2HB   LYS  50          1HB       LYS  50  -2.631  -0.940 -12.407
  391   1HG   LYS  50          1HG       LYS  50   0.010  -1.742 -11.217
  392   2HG   LYS  50          1HG       LYS  50  -0.883  -2.542 -12.510
  393   1HD   LYS  50          1HD       LYS  50   0.327   0.219 -12.653
  394   2HD   LYS  50          1HD       LYS  50   1.011  -1.241 -13.369
  395   1HE   LYS  50          1HE       LYS  50  -0.092  -0.486 -15.198
  396   2HE   LYS  50          1HE       LYS  50  -1.429  -1.354 -14.446
  397   1HZ   LYS  50          1HZ       LYS  50  -2.391   0.599 -13.708
  398   2HZ   LYS  50          2HZ       LYS  50  -1.799   1.046 -15.227
  399   3HZ   LYS  50          3HZ       LYS  50  -0.958   1.491 -13.830
  400    H    LEU  51           H        LEU  51  -3.148   0.434  -9.058
  401    HA   LEU  51           HA       LEU  51  -5.605   1.309 -10.146
  402   1HB   LEU  51          1HB       LEU  51  -4.618   0.963  -7.324
  403   2HB   LEU  51          1HB       LEU  51  -6.232   1.550  -7.678
  404    HG   LEU  51           HG       LEU  51  -5.100  -1.147  -8.422
  405   1HD1  LEU  51          1HD1      LEU  51  -6.326  -2.045  -6.725
  406   2HD1  LEU  51          2HD1      LEU  51  -7.529  -0.756  -6.761
  407   3HD1  LEU  51          3HD1      LEU  51  -5.957  -0.473  -6.015
  408   1HD2  LEU  51          1HD2      LEU  51  -6.520  -0.903 -10.169
  409   2HD2  LEU  51          2HD2      LEU  51  -7.479   0.337  -9.360
  410   3HD2  LEU  51          3HD2      LEU  51  -7.713  -1.363  -8.953
  411    H    ASN  52           H        ASN  52  -3.225   2.910  -8.028
  412    HA   ASN  52           HA       ASN  52  -4.495   5.349  -7.810
  413   1HB   ASN  52          1HB       ASN  52  -2.437   4.450  -6.602
  414   2HB   ASN  52          1HB       ASN  52  -1.615   5.179  -7.935
  415   1HD2  ASN  52          1HD2      ASN  52  -0.747   7.005  -7.356
  416   2HD2  ASN  52          2HD2      ASN  52  -1.515   8.212  -6.396
  417    H    ASP  53           H        ASP  53  -2.299   4.180 -10.229
  418    HA   ASP  53           HA       ASP  53  -2.129   6.655 -11.653
  419   1HB   ASP  53          1HB       ASP  53  -0.435   4.764 -11.710
  420   2HB   ASP  53          1HB       ASP  53  -1.572   3.897 -12.741
  421    H    ALA  54           H        ALA  54  -4.128   3.798 -11.853
  422    HA   ALA  54           HA       ALA  54  -5.286   4.277 -14.366
  423   1HB   ALA  54          1HB       ALA  54  -5.363   2.114 -13.224
  424   2HB   ALA  54          2HB       ALA  54  -6.966   2.658 -13.717
  425   3HB   ALA  54          3HB       ALA  54  -6.470   2.791 -12.030
  426    H    GLN  55           H        GLN  55  -5.992   5.665 -11.226
  427    HA   GLN  55           HA       GLN  55  -8.448   6.836 -12.317
  428   1HB   GLN  55          1HB       GLN  55  -7.960   7.569  -9.561
  429   2HB   GLN  55          1HB       GLN  55  -9.348   6.767 -10.275
  430   1HG   GLN  55          1HG       GLN  55  -8.753   5.054  -8.979
  431   2HG   GLN  55          1HG       GLN  55  -7.528   4.744 -10.202
  432   1HE2  GLN  55          1HE2      GLN  55  -7.390   4.016  -7.502
  433   2HE2  GLN  55          2HE2      GLN  55  -6.059   4.852  -6.810
  434    H    ALA  56           H        ALA  56  -5.545   7.652 -12.816
  435    HA   ALA  56           HA       ALA  56  -5.393  10.289 -11.649
  436   1HB   ALA  56          1HB       ALA  56  -3.609   8.528 -13.144
  437   2HB   ALA  56          2HB       ALA  56  -3.245   9.725 -11.903
  438   3HB   ALA  56          3HB       ALA  56  -3.455  10.229 -13.580
  439    HA   PRO  57           HA       PRO  57  -7.058  12.918 -14.755
  440   1HB   PRO  57          1HB       PRO  57  -4.375  13.996 -15.430
  441   2HB   PRO  57          1HB       PRO  57  -5.829  14.846 -14.895
  442   1HG   PRO  57          1HG       PRO  57  -3.774  14.487 -13.238
  443   2HG   PRO  57          1HG       PRO  57  -5.446  14.366 -12.659
  444   1HD   PRO  57          1HD       PRO  57  -3.489  12.190 -13.274
  445   2HD   PRO  57          1HD       PRO  57  -4.679  12.299 -11.960
  446    H    LYS  58           H        LYS  58  -7.565  12.864 -16.895
  447    HA   LYS  58           HA       LYS  58  -5.657  11.779 -18.809
  448   1HB   LYS  58          1HB       LYS  58  -7.397  10.206 -19.698
  449   2HB   LYS  58          1HB       LYS  58  -6.759   9.774 -18.118
  450   1HG   LYS  58          1HG       LYS  58  -8.825  11.086 -17.230
  451   2HG   LYS  58          1HG       LYS  58  -9.457  10.806 -18.853
  452   1HD   LYS  58          1HD       LYS  58 -10.225   9.020 -17.477
  453   2HD   LYS  58          1HD       LYS  58  -8.963   8.369 -18.524
  454   1HE   LYS  58          1HE       LYS  58  -8.118   7.532 -16.620
  455   2HE   LYS  58          1HE       LYS  58  -7.511   9.169 -16.371
  456   1HZ   LYS  58          1HZ       LYS  58  -9.657   7.762 -15.014
  457   2HZ   LYS  58          2HZ       LYS  58  -9.957   9.391 -15.356
  458   3HZ   LYS  58          3HZ       LYS  58  -8.607   8.956 -14.435
  Start of MODEL    8
    1   1H    VAL   1          1HT       VAL   1   3.852  -3.581  18.407
    2   2H    VAL   1          2HT       VAL   1   3.487  -5.206  17.991
    3   3H    VAL   1          3HT       VAL   1   4.094  -4.129  16.801
    4    HA   VAL   1           HA       VAL   1   6.177  -4.200  17.556
    5    HB   VAL   1           HB       VAL   1   6.680  -5.108  19.910
    6   1HG1  VAL   1          1HG1      VAL   1   6.909  -2.751  19.188
    7   2HG1  VAL   1          2HG1      VAL   1   6.462  -2.917  20.886
    8   3HG1  VAL   1          3HG1      VAL   1   5.243  -2.467  19.693
    9   1HG2  VAL   1          1HG2      VAL   1   4.728  -4.487  21.486
   10   2HG2  VAL   1          2HG2      VAL   1   4.689  -6.042  20.658
   11   3HG2  VAL   1          3HG2      VAL   1   3.716  -4.699  20.058
   12    H    ASP   2           H        ASP   2   4.133  -6.788  18.920
   13    HA   ASP   2           HA       ASP   2   5.940  -8.883  18.566
   14   1HB   ASP   2          1HB       ASP   2   2.916  -8.915  18.549
   15   2HB   ASP   2          1HB       ASP   2   3.923 -10.357  18.637
   16    H    ASN   3           H        ASN   3   3.885  -7.255  16.297
   17    HA   ASN   3           HA       ASN   3   4.409  -9.269  14.230
   18   1HB   ASN   3          1HB       ASN   3   2.784  -7.847  12.890
   19   2HB   ASN   3          1HB       ASN   3   2.113  -8.668  14.296
   20   1HD2  ASN   3          1HD2      ASN   3   1.606  -7.458  16.145
   21   2HD2  ASN   3          2HD2      ASN   3   1.367  -5.749  16.065
   22    H    LYS   4           H        LYS   4   6.649  -8.735  13.996
   23    HA   LYS   4           HA       LYS   4   7.293  -6.072  13.012
   24   1HB   LYS   4          1HB       LYS   4   8.914  -8.455  13.844
   25   2HB   LYS   4          1HB       LYS   4   9.650  -7.173  12.893
   26   1HG   LYS   4          1HG       LYS   4   8.448  -5.735  14.848
   27   2HG   LYS   4          1HG       LYS   4   8.858  -7.216  15.715
   28   1HD   LYS   4          1HD       LYS   4  11.189  -6.993  14.885
   29   2HD   LYS   4          1HD       LYS   4  10.744  -5.444  14.164
   30   1HE   LYS   4          1HE       LYS   4   9.877  -5.367  16.843
   31   2HE   LYS   4          1HE       LYS   4  11.508  -6.037  16.862
   32   1HZ   LYS   4          1HZ       LYS   4  12.063  -3.871  16.852
   33   2HZ   LYS   4          2HZ       LYS   4  10.607  -3.368  16.153
   34   3HZ   LYS   4          3HZ       LYS   4  11.834  -4.008  15.181
   35    H    PHE   5           H        PHE   5   7.302  -5.585  10.942
   36    HA   PHE   5           HA       PHE   5   7.152  -7.703   8.944
   37   1HB   PHE   5          1HB       PHE   5   6.900  -4.714   8.580
   38   2HB   PHE   5          1HB       PHE   5   6.441  -5.960   7.423
   39    HD1  PHE   5           HD1      PHE   5   5.449  -4.048  10.317
   40    HD2  PHE   5           HD2      PHE   5   4.491  -7.420   7.905
   41    HE1  PHE   5           HE1      PHE   5   3.171  -4.062  11.247
   42    HE2  PHE   5           HE2      PHE   5   2.207  -7.436   8.828
   43    HZ   PHE   5           HZ       PHE   5   1.548  -5.757  10.504
   44    H    ASN   6           H        ASN   6   8.205  -6.303   6.748
   45    HA   ASN   6           HA       ASN   6  11.057  -6.060   7.452
   46   1HB   ASN   6          1HB       ASN   6   9.725  -7.587   5.246
   47   2HB   ASN   6          1HB       ASN   6  11.339  -6.932   4.988
   48   1HD2  ASN   6          1HD2      ASN   6   9.413  -9.137   6.888
   49   2HD2  ASN   6          2HD2      ASN   6  10.729 -10.088   7.476
   50    H    LYS   7           H        LYS   7  12.329  -4.893   5.733
   51    HA   LYS   7           HA       LYS   7  11.347  -2.307   5.392
   52   1HB   LYS   7          1HB       LYS   7  13.271  -2.030   3.790
   53   2HB   LYS   7          1HB       LYS   7  13.701  -2.639   5.381
   54   1HG   LYS   7          1HG       LYS   7  13.142  -4.686   3.343
   55   2HG   LYS   7          1HG       LYS   7  14.577  -3.700   3.073
   56   1HD   LYS   7          1HD       LYS   7  15.702  -4.804   4.644
   57   2HD   LYS   7          1HD       LYS   7  14.429  -4.508   5.830
   58   1HE   LYS   7          1HE       LYS   7  14.355  -6.785   5.765
   59   2HE   LYS   7          1HE       LYS   7  13.216  -6.423   4.469
   60   1HZ   LYS   7          1HZ       LYS   7  15.522  -6.474   3.129
   61   2HZ   LYS   7          2HZ       LYS   7  14.520  -7.823   3.319
   62   3HZ   LYS   7          3HZ       LYS   7  15.855  -7.613   4.335
   63    H    GLU   8           H        GLU   8  11.277  -5.072   3.225
   64    HA   GLU   8           HA       GLU   8  10.559  -3.830   0.842
   65   1HB   GLU   8          1HB       GLU   8   9.569  -5.982   0.201
   66   2HB   GLU   8          1HB       GLU   8  11.134  -6.199   0.974
   67   1HG   GLU   8          1HG       GLU   8   9.438  -6.383   3.096
   68   2HG   GLU   8          1HG       GLU   8   8.480  -7.100   1.801
   69    H    GLN   9           H        GLN   9   8.682  -4.362   3.708
   70    HA   GLN   9           HA       GLN   9   6.185  -3.799   2.372
   71   1HB   GLN   9          1HB       GLN   9   6.056  -5.451   4.086
   72   2HB   GLN   9          1HB       GLN   9   6.877  -4.406   5.238
   73   1HG   GLN   9          1HG       GLN   9   4.957  -2.885   5.216
   74   2HG   GLN   9          1HG       GLN   9   4.134  -3.952   4.084
   75   1HE2  GLN   9          1HE2      GLN   9   3.871  -3.009   7.014
   76   2HE2  GLN   9          2HE2      GLN   9   3.448  -4.461   7.836
   77    H    GLN  10           H        GLN  10   8.545  -2.161   4.363
   78    HA   GLN  10           HA       GLN  10   6.828   0.077   4.897
   79   1HB   GLN  10          1HB       GLN  10   9.778  -0.333   5.389
   80   2HB   GLN  10          1HB       GLN  10   8.867   1.073   5.921
   81   1HG   GLN  10          1HG       GLN  10   7.451  -0.380   7.298
   82   2HG   GLN  10          1HG       GLN  10   8.399  -1.773   6.784
   83   1HE2  GLN  10          1HE2      GLN  10   8.897  -2.192   8.940
   84   2HE2  GLN  10          2HE2      GLN  10  10.092  -1.275   9.776
   85    H    ASN  11           H        ASN  11   9.174  -0.804   2.466
   86    HA   ASN  11           HA       ASN  11   9.511   1.898   1.500
   87   1HB   ASN  11          1HB       ASN  11  11.139  -0.090   1.140
   88   2HB   ASN  11          1HB       ASN  11  10.005  -0.620  -0.096
   89   1HD2  ASN  11          1HD2      ASN  11  12.693   0.086  -0.502
   90   2HD2  ASN  11          2HD2      ASN  11  12.722   1.464  -1.536
   91    H    ALA  12           H        ALA  12   7.539  -0.925   0.846
   92    HA   ALA  12           HA       ALA  12   6.172   0.169  -1.399
   93   1HB   ALA  12          1HB       ALA  12   6.216  -2.229  -1.070
   94   2HB   ALA  12          2HB       ALA  12   4.547  -1.664  -0.995
   95   3HB   ALA  12          3HB       ALA  12   5.411  -2.061   0.490
   96    H    PHE  13           H        PHE  13   5.687   0.099   2.080
   97    HA   PHE  13           HA       PHE  13   3.108   1.139   2.213
   98   1HB   PHE  13          1HB       PHE  13   4.548   0.164   4.086
   99   2HB   PHE  13          1HB       PHE  13   5.264   1.770   4.203
  100    HD1  PHE  13           HD1      PHE  13   3.719   3.721   4.589
  101    HD2  PHE  13           HD2      PHE  13   2.555  -0.325   5.136
  102    HE1  PHE  13           HE1      PHE  13   1.835   4.461   5.996
  103    HE2  PHE  13           HE2      PHE  13   0.674   0.397   6.547
  104    HZ   PHE  13           HZ       PHE  13   0.307   2.796   6.975
  105    H    TYR  14           H        TYR  14   6.221   2.806   2.342
  106    HA   TYR  14           HA       TYR  14   5.151   5.417   2.456
  107   1HB   TYR  14          1HB       TYR  14   7.817   4.251   1.755
  108   2HB   TYR  14          1HB       TYR  14   7.502   5.933   1.340
  109    HD1  TYR  14           HD1      TYR  14   8.696   3.771   3.835
  110    HD2  TYR  14           HD2      TYR  14   6.531   7.394   3.313
  111    HE1  TYR  14           HE1      TYR  14   9.266   4.435   6.134
  112    HE2  TYR  14           HE2      TYR  14   7.094   8.070   5.610
  113    HH   TYR  14           HH       TYR  14   8.482   5.902   7.875
  114    H    GLU  15           H        GLU  15   6.075   3.303  -0.221
  115    HA   GLU  15           HA       GLU  15   5.754   5.128  -2.319
  116   1HB   GLU  15          1HB       GLU  15   5.704   2.172  -2.049
  117   2HB   GLU  15          1HB       GLU  15   4.959   2.838  -3.496
  118   1HG   GLU  15          1HG       GLU  15   7.791   3.277  -2.579
  119   2HG   GLU  15          1HG       GLU  15   7.264   2.262  -3.921
  120    H    ILE  16           H        ILE  16   3.455   3.188  -0.530
  121    HA   ILE  16           HA       ILE  16   1.201   3.788  -2.157
  122    HB   ILE  16           HB       ILE  16   1.776   2.311   0.320
  123   1HG1  ILE  16          1HG1      ILE  16  -0.457   1.405  -1.314
  124   2HG1  ILE  16          1HG1      ILE  16   0.983   1.725  -2.277
  125   1HG2  ILE  16          1HG2      ILE  16   0.140   3.560   1.400
  126   2HG2  ILE  16          2HG2      ILE  16  -0.757   2.167   0.797
  127   3HG2  ILE  16          3HG2      ILE  16  -0.848   3.708  -0.054
  128   1HD1  ILE  16          1HD1      ILE  16   0.687  -0.180   0.023
  129   2HD1  ILE  16          2HD1      ILE  16   2.246   0.272  -0.666
  130   3HD1  ILE  16          3HD1      ILE  16   1.047  -0.552  -1.663
  131    H    LEU  17           H        LEU  17   2.494   4.996   0.897
  132    HA   LEU  17           HA       LEU  17   0.374   6.759   1.490
  133   1HB   LEU  17          1HB       LEU  17   3.119   6.297   2.454
  134   2HB   LEU  17          1HB       LEU  17   2.511   7.924   2.697
  135    HG   LEU  17           HG       LEU  17   1.300   5.368   3.743
  136   1HD1  LEU  17          1HD1      LEU  17   3.159   5.990   5.065
  137   2HD1  LEU  17          2HD1      LEU  17   1.726   6.539   5.935
  138   3HD1  LEU  17          3HD1      LEU  17   2.705   7.694   5.031
  139   1HD2  LEU  17          1HD2      LEU  17   0.091   7.947   3.219
  140   2HD2  LEU  17          2HD2      LEU  17   0.021   7.527   4.930
  141   3HD2  LEU  17          3HD2      LEU  17  -0.657   6.432   3.726
  142    H    HIS  18           H        HIS  18   2.797   6.911  -0.894
  143    HA   HIS  18           HA       HIS  18   2.832   9.811  -0.992
  144   1HB   HIS  18          1HB       HIS  18   4.905   8.498  -1.323
  145   2HB   HIS  18          1HB       HIS  18   4.217   7.830  -2.799
  146    HD1  HIS  18           HD1      HIS  18   5.415   8.901  -4.677
  147    HD2  HIS  18           HD2      HIS  18   4.472  11.631  -1.690
  148    HE1  HIS  18           HE1      HIS  18   6.155  11.139  -5.554
  149    HE2  HIS  18           HE2      HIS  18   5.481  12.787  -3.772
  150    H    LEU  19           H        LEU  19   0.838   7.418  -2.379
  151    HA   LEU  19           HA       LEU  19   0.530   8.554  -4.949
  152   1HB   LEU  19          1HB       LEU  19  -1.794   7.182  -3.687
  153   2HB   LEU  19          1HB       LEU  19  -1.192   7.094  -5.316
  154    HG   LEU  19           HG       LEU  19   0.663   5.954  -3.403
  155   1HD1  LEU  19          1HD1      LEU  19  -0.586   4.048  -2.768
  156   2HD1  LEU  19          2HD1      LEU  19  -1.937   4.509  -3.800
  157   3HD1  LEU  19          3HD1      LEU  19  -1.573   5.448  -2.352
  158   1HD2  LEU  19          1HD2      LEU  19   0.766   4.197  -5.035
  159   2HD2  LEU  19          2HD2      LEU  19   0.783   5.752  -5.867
  160   3HD2  LEU  19          3HD2      LEU  19  -0.696   4.793  -5.821
  161    HA   PRO  20           HA       PRO  20  -1.605  12.231  -3.479
  162   1HB   PRO  20          1HB       PRO  20  -1.507  13.601  -5.774
  163   2HB   PRO  20          1HB       PRO  20  -0.068  13.348  -4.777
  164   1HG   PRO  20          1HG       PRO  20  -0.947  11.882  -7.238
  165   2HG   PRO  20          1HG       PRO  20   0.665  12.489  -6.817
  166   1HD   PRO  20          1HD       PRO  20  -0.086   9.892  -6.485
  167   2HD   PRO  20          1HD       PRO  20   1.124  10.692  -5.464
  168    H    ASN  21           H        ASN  21  -2.585  10.255  -6.206
  169    HA   ASN  21           HA       ASN  21  -5.246  11.487  -6.115
  170   1HB   ASN  21          1HB       ASN  21  -5.540  10.260  -8.352
  171   2HB   ASN  21          1HB       ASN  21  -4.478  11.662  -8.331
  172   1HD2  ASN  21          1HD2      ASN  21  -4.777   9.009  -9.825
  173   2HD2  ASN  21          2HD2      ASN  21  -3.158   8.447  -9.923
  174    H    LEU  22           H        LEU  22  -4.363   9.643  -4.179
  175    HA   LEU  22           HA       LEU  22  -5.897   7.213  -4.807
  176   1HB   LEU  22          1HB       LEU  22  -3.845   6.446  -4.151
  177   2HB   LEU  22          1HB       LEU  22  -3.545   7.815  -3.104
  178    HG   LEU  22           HG       LEU  22  -5.690   6.164  -2.064
  179   1HD1  LEU  22          1HD1      LEU  22  -3.223   4.665  -1.730
  180   2HD1  LEU  22          2HD1      LEU  22  -3.820   4.651  -3.390
  181   3HD1  LEU  22          3HD1      LEU  22  -4.857   4.102  -2.073
  182   1HD2  LEU  22          1HD2      LEU  22  -3.182   6.305  -0.595
  183   2HD2  LEU  22          2HD2      LEU  22  -4.795   6.850  -0.137
  184   3HD2  LEU  22          3HD2      LEU  22  -3.763   7.883  -1.126
  185    H    ASN  23           H        ASN  23  -7.439   6.422  -3.348
  186    HA   ASN  23           HA       ASN  23  -8.616   8.497  -1.643
  187   1HB   ASN  23          1HB       ASN  23 -10.656   7.071  -1.699
  188   2HB   ASN  23          1HB       ASN  23 -10.136   7.586  -3.300
  189   1HD2  ASN  23          1HD2      ASN  23 -10.107   6.105  -4.784
  190   2HD2  ASN  23          2HD2      ASN  23  -9.971   4.407  -4.526
  191    H    GLU  24           H        GLU  24  -9.080   8.144   0.508
  192    HA   GLU  24           HA       GLU  24  -7.319   6.715   2.037
  193   1HB   GLU  24          1HB       GLU  24 -10.135   7.338   2.899
  194   2HB   GLU  24          1HB       GLU  24  -8.712   7.186   3.919
  195   1HG   GLU  24          1HG       GLU  24  -8.655   9.412   3.819
  196   2HG   GLU  24          1HG       GLU  24  -7.945   9.164   2.224
  197    H    GLU  25           H        GLU  25 -10.607   5.722   1.156
  198    HA   GLU  25           HA       GLU  25 -10.801   3.380   2.582
  199   1HB   GLU  25          1HB       GLU  25 -12.596   4.435   1.194
  200   2HB   GLU  25          1HB       GLU  25 -11.823   3.758  -0.233
  201   1HG   GLU  25          1HG       GLU  25 -12.408   1.834   1.908
  202   2HG   GLU  25          1HG       GLU  25 -13.815   2.565   1.137
  203    H    GLN  26           H        GLN  26  -9.348   3.799  -0.627
  204    HA   GLN  26           HA       GLN  26  -8.738   1.055  -0.976
  205   1HB   GLN  26          1HB       GLN  26  -8.923   2.540  -2.889
  206   2HB   GLN  26          1HB       GLN  26  -7.584   3.515  -2.300
  207   1HG   GLN  26          1HG       GLN  26  -6.654   0.859  -2.492
  208   2HG   GLN  26          1HG       GLN  26  -7.533   1.216  -3.977
  209   1HE2  GLN  26          1HE2      GLN  26  -7.028   3.758  -4.510
  210   2HE2  GLN  26          2HE2      GLN  26  -5.336   4.046  -4.704
  211    H    ARG  27           H        ARG  27  -6.692   3.833  -0.069
  212    HA   ARG  27           HA       ARG  27  -4.345   2.336   0.317
  213   1HB   ARG  27          1HB       ARG  27  -4.797   4.923   0.199
  214   2HB   ARG  27          1HB       ARG  27  -4.897   4.774   1.942
  215   1HG   ARG  27          1HG       ARG  27  -2.607   3.425   1.467
  216   2HG   ARG  27          1HG       ARG  27  -2.571   4.604   0.157
  217   1HD   ARG  27          1HD       ARG  27  -2.980   5.302   3.061
  218   2HD   ARG  27          1HD       ARG  27  -1.423   5.348   2.239
  219    HE   ARG  27           HE       ARG  27  -2.161   7.190   0.977
  220   1HH1  ARG  27          1HH1      ARG  27  -4.563   6.141   3.295
  221   2HH1  ARG  27          2HH1      ARG  27  -5.454   7.621   3.218
  222   1HH2  ARG  27          1HH2      ARG  27  -3.339   9.129   0.885
  223   2HH2  ARG  27          2HH2      ARG  27  -4.762   9.315   1.853
  224    H    ASN  28           H        ASN  28  -7.199   2.674   2.216
  225    HA   ASN  28           HA       ASN  28  -5.998   1.935   4.714
  226   1HB   ASN  28          1HB       ASN  28  -8.781   2.408   3.728
  227   2HB   ASN  28          1HB       ASN  28  -8.561   1.491   5.216
  228   1HD2  ASN  28          1HD2      ASN  28  -9.613   3.167   6.345
  229   2HD2  ASN  28          2HD2      ASN  28  -8.785   4.630   6.743
  230    H    ALA  29           H        ALA  29  -8.134   0.317   2.350
  231    HA   ALA  29           HA       ALA  29  -8.161  -2.190   3.609
  232   1HB   ALA  29          1HB       ALA  29  -9.756  -2.175   2.004
  233   2HB   ALA  29          2HB       ALA  29  -8.469  -2.887   1.031
  234   3HB   ALA  29          3HB       ALA  29  -8.808  -1.160   0.918
  235    H    PHE  30           H        PHE  30  -5.929  -0.721   1.353
  236    HA   PHE  30           HA       PHE  30  -4.367  -3.033   0.840
  237   1HB   PHE  30          1HB       PHE  30  -4.066  -0.101   0.379
  238   2HB   PHE  30          1HB       PHE  30  -2.657  -1.135   0.208
  239    HD1  PHE  30           HD1      PHE  30  -3.870  -3.553  -0.975
  240    HD2  PHE  30           HD2      PHE  30  -4.576   0.565  -1.779
  241    HE1  PHE  30           HE1      PHE  30  -4.586  -4.127  -3.257
  242    HE2  PHE  30           HE2      PHE  30  -5.295  -0.001  -4.064
  243    HZ   PHE  30           HZ       PHE  30  -5.299  -2.352  -4.805
  244    H    ILE  31           H        ILE  31  -3.744  -0.165   2.847
  245    HA   ILE  31           HA       ILE  31  -1.332  -1.028   3.965
  246    HB   ILE  31           HB       ILE  31  -3.467   0.804   5.053
  247   1HG1  ILE  31          1HG1      ILE  31  -0.711   1.531   4.086
  248   2HG1  ILE  31          1HG1      ILE  31  -2.065   1.371   2.972
  249   1HG2  ILE  31          1HG2      ILE  31  -1.124   1.447   6.368
  250   2HG2  ILE  31          2HG2      ILE  31  -1.163  -0.316   6.413
  251   3HG2  ILE  31          3HG2      ILE  31  -2.516   0.612   7.058
  252   1HD1  ILE  31          1HD1      ILE  31  -1.323   3.642   4.336
  253   2HD1  ILE  31          2HD1      ILE  31  -2.710   3.044   5.246
  254   3HD1  ILE  31          3HD1      ILE  31  -2.861   3.368   3.518
  255    H    GLN  32           H        GLN  32  -4.612  -1.201   5.366
  256    HA   GLN  32           HA       GLN  32  -3.984  -2.675   7.646
  257   1HB   GLN  32          1HB       GLN  32  -6.163  -1.559   7.204
  258   2HB   GLN  32          1HB       GLN  32  -6.539  -2.819   6.037
  259   1HG   GLN  32          1HG       GLN  32  -7.617  -3.674   7.828
  260   2HG   GLN  32          1HG       GLN  32  -6.025  -4.375   8.119
  261   1HE2  GLN  32          1HE2      GLN  32  -6.183  -4.511  10.305
  262   2HE2  GLN  32          2HE2      GLN  32  -6.262  -3.136  11.346
  263    H    SER  33           H        SER  33  -5.135  -3.843   4.489
  264    HA   SER  33           HA       SER  33  -5.059  -6.565   5.095
  265   1HB   SER  33          1HB       SER  33  -6.174  -5.704   3.093
  266   2HB   SER  33          1HB       SER  33  -4.616  -5.234   2.417
  267    HG   SER  33           HG       SER  33  -5.001  -7.184   1.540
  268    H    LEU  34           H        LEU  34  -2.543  -4.378   4.084
  269    HA   LEU  34           HA       LEU  34  -0.589  -6.309   3.445
  270   1HB   LEU  34          1HB       LEU  34  -0.169  -4.196   2.573
  271   2HB   LEU  34          1HB       LEU  34  -0.597  -3.383   4.060
  272    HG   LEU  34           HG       LEU  34   1.856  -3.357   3.350
  273   1HD1  LEU  34          1HD1      LEU  34   0.633  -3.153   5.754
  274   2HD1  LEU  34          2HD1      LEU  34   2.357  -2.886   5.486
  275   3HD1  LEU  34          3HD1      LEU  34   1.786  -4.449   6.072
  276   1HD2  LEU  34          1HD2      LEU  34   2.452  -5.808   4.747
  277   2HD2  LEU  34          2HD2      LEU  34   3.003  -5.253   3.167
  278   3HD2  LEU  34          3HD2      LEU  34   1.476  -6.122   3.312
  279    H    LYS  35           H        LYS  35  -1.412  -4.572   6.405
  280    HA   LYS  35           HA       LYS  35   0.769  -5.654   7.891
  281   1HB   LYS  35          1HB       LYS  35  -1.667  -4.058   8.640
  282   2HB   LYS  35          1HB       LYS  35  -0.548  -4.668   9.852
  283   1HG   LYS  35          1HG       LYS  35   1.115  -3.443   8.038
  284   2HG   LYS  35          1HG       LYS  35  -0.304  -2.394   8.060
  285   1HD   LYS  35          1HD       LYS  35  -0.104  -2.586  10.636
  286   2HD   LYS  35          1HD       LYS  35   1.543  -3.127  10.302
  287   1HE   LYS  35          1HE       LYS  35   0.494  -0.616   9.058
  288   2HE   LYS  35          1HE       LYS  35   1.079  -0.605  10.721
  289   1HZ   LYS  35          1HZ       LYS  35   3.118  -1.794   9.633
  290   2HZ   LYS  35          2HZ       LYS  35   2.981  -0.108   9.591
  291   3HZ   LYS  35          3HZ       LYS  35   2.568  -1.024   8.230
  292    H    ASP  36           H        ASP  36  -2.502  -6.663   7.250
  293    HA   ASP  36           HA       ASP  36  -2.459  -8.546   9.461
  294   1HB   ASP  36          1HB       ASP  36  -4.716  -8.706   9.229
  295   2HB   ASP  36          1HB       ASP  36  -4.509  -7.190   8.362
  296    H    ASP  37           H        ASP  37  -2.397  -8.613   5.917
  297    HA   ASP  37           HA       ASP  37  -2.190 -11.478   5.807
  298   1HB   ASP  37          1HB       ASP  37  -3.080  -9.480   4.147
  299   2HB   ASP  37          1HB       ASP  37  -1.557  -9.930   3.411
  300    HA   PRO  38           HA       PRO  38   2.178 -12.212   5.626
  301   1HB   PRO  38          1HB       PRO  38   2.666 -12.798   2.918
  302   2HB   PRO  38          1HB       PRO  38   2.250 -13.954   4.184
  303   1HG   PRO  38          1HG       PRO  38   0.506 -12.648   2.154
  304   2HG   PRO  38          1HG       PRO  38   0.428 -14.291   2.818
  305   1HD   PRO  38          1HD       PRO  38  -1.290 -12.421   3.593
  306   2HD   PRO  38          1HD       PRO  38  -0.642 -13.584   4.759
  307    H    SER  39           H        SER  39   4.053 -11.794   3.537
  308    HA   SER  39           HA       SER  39   4.276  -8.895   3.700
  309   1HB   SER  39          1HB       SER  39   6.220 -11.126   3.223
  310   2HB   SER  39          1HB       SER  39   6.635  -9.485   2.729
  311    HG   SER  39           HG       SER  39   6.007  -8.928   4.986
  312    H    GLN  40           H        GLN  40   2.450 -10.193   1.818
  313    HA   GLN  40           HA       GLN  40   3.589  -9.951  -0.808
  314   1HB   GLN  40          1HB       GLN  40   1.186 -10.203  -1.553
  315   2HB   GLN  40          1HB       GLN  40   1.851 -11.532  -0.617
  316   1HG   GLN  40          1HG       GLN  40  -0.335 -11.181   0.173
  317   2HG   GLN  40          1HG       GLN  40   0.739 -10.524   1.402
  318   1HE2  GLN  40          1HE2      GLN  40  -0.299  -8.881   2.286
  319   2HE2  GLN  40          2HE2      GLN  40  -1.061  -7.589   1.430
  320    H    SER  41           H        SER  41   3.831  -7.543   0.787
  321    HA   SER  41           HA       SER  41   1.965  -5.570   0.158
  322   1HB   SER  41          1HB       SER  41   4.674  -4.524   0.156
  323   2HB   SER  41          1HB       SER  41   3.374  -4.257   1.316
  324    HG   SER  41           HG       SER  41   4.879  -5.309   2.469
  325    H    ALA  42           H        ALA  42   4.899  -6.556  -1.601
  326    HA   ALA  42           HA       ALA  42   4.994  -4.727  -3.620
  327   1HB   ALA  42          1HB       ALA  42   5.612  -6.911  -5.040
  328   2HB   ALA  42          2HB       ALA  42   5.714  -7.585  -3.413
  329   3HB   ALA  42          3HB       ALA  42   6.702  -6.193  -3.854
  330    H    ASN  43           H        ASN  43   2.728  -7.399  -3.343
  331    HA   ASN  43           HA       ASN  43   1.623  -7.117  -5.949
  332   1HB   ASN  43          1HB       ASN  43   0.763  -8.510  -3.434
  333   2HB   ASN  43          1HB       ASN  43  -0.354  -8.372  -4.788
  334   1HD2  ASN  43          1HD2      ASN  43   1.148 -10.651  -3.500
  335   2HD2  ASN  43          2HD2      ASN  43   1.899 -11.465  -4.826
  336    H    LEU  44           H        LEU  44   0.738  -5.882  -2.760
  337    HA   LEU  44           HA       LEU  44  -1.597  -4.542  -3.697
  338   1HB   LEU  44          1HB       LEU  44  -0.345  -3.588  -1.201
  339   2HB   LEU  44          1HB       LEU  44  -2.019  -3.959  -1.549
  340    HG   LEU  44           HG       LEU  44  -0.125  -6.247  -1.357
  341   1HD1  LEU  44          1HD1      LEU  44  -1.307  -5.317   1.179
  342   2HD1  LEU  44          2HD1      LEU  44   0.100  -4.431   0.588
  343   3HD1  LEU  44          3HD1      LEU  44   0.207  -6.169   0.872
  344   1HD2  LEU  44          1HD2      LEU  44  -2.205  -7.064  -1.753
  345   2HD2  LEU  44          2HD2      LEU  44  -3.009  -5.681  -1.009
  346   3HD2  LEU  44          3HD2      LEU  44  -2.305  -6.942   0.004
  347    H    LEU  45           H        LEU  45   1.697  -3.913  -3.865
  348    HA   LEU  45           HA       LEU  45   1.582  -1.034  -3.841
  349   1HB   LEU  45          1HB       LEU  45   3.589  -2.756  -3.433
  350   2HB   LEU  45          1HB       LEU  45   3.796  -2.536  -5.151
  351    HG   LEU  45           HG       LEU  45   4.167  -0.176  -4.888
  352   1HD1  LEU  45          1HD1      LEU  45   2.814   0.613  -3.211
  353   2HD1  LEU  45          2HD1      LEU  45   4.385   0.620  -2.411
  354   3HD1  LEU  45          3HD1      LEU  45   3.244  -0.688  -2.101
  355   1HD2  LEU  45          1HD2      LEU  45   6.140  -1.474  -4.645
  356   2HD2  LEU  45          2HD2      LEU  45   5.743  -1.885  -2.977
  357   3HD2  LEU  45          3HD2      LEU  45   6.188  -0.231  -3.396
  358    H    ALA  46           H        ALA  46   2.366  -3.503  -6.210
  359    HA   ALA  46           HA       ALA  46   2.190  -1.855  -8.477
  360   1HB   ALA  46          1HB       ALA  46   1.877  -4.840  -8.172
  361   2HB   ALA  46          2HB       ALA  46   3.321  -3.951  -8.658
  362   3HB   ALA  46          3HB       ALA  46   1.923  -4.016  -9.731
  363    H    GLU  47           H        GLU  47  -0.211  -3.612  -6.642
  364    HA   GLU  47           HA       GLU  47  -2.306  -3.323  -8.579
  365   1HB   GLU  47          1HB       GLU  47  -2.094  -4.301  -5.785
  366   2HB   GLU  47          1HB       GLU  47  -3.677  -3.753  -6.312
  367   1HG   GLU  47          1HG       GLU  47  -3.659  -5.333  -8.136
  368   2HG   GLU  47          1HG       GLU  47  -2.026  -5.843  -7.710
  369    H    ALA  48           H        ALA  48  -1.589  -1.713  -5.504
  370    HA   ALA  48           HA       ALA  48  -3.691   0.173  -5.702
  371   1HB   ALA  48          1HB       ALA  48  -2.535  -0.408  -3.581
  372   2HB   ALA  48          2HB       ALA  48  -2.609   1.328  -3.881
  373   3HB   ALA  48          3HB       ALA  48  -1.108   0.447  -4.166
  374    H    LYS  49           H        LYS  49  -0.547  -0.059  -7.089
  375    HA   LYS  49           HA       LYS  49  -0.272   2.705  -7.743
  376   1HB   LYS  49          1HB       LYS  49   1.672   1.187  -7.461
  377   2HB   LYS  49          1HB       LYS  49   1.130   0.267  -8.853
  378   1HG   LYS  49          1HG       LYS  49   1.302   2.943  -9.697
  379   2HG   LYS  49          1HG       LYS  49   2.761   2.613  -8.761
  380   1HD   LYS  49          1HD       LYS  49   3.452   1.897 -10.819
  381   2HD   LYS  49          1HD       LYS  49   2.755   0.397 -10.203
  382   1HE   LYS  49          1HE       LYS  49   1.879   0.598 -12.362
  383   2HE   LYS  49          1HE       LYS  49   0.583   1.166 -11.311
  384   1HZ   LYS  49          1HZ       LYS  49   2.520   2.975 -12.642
  385   2HZ   LYS  49          2HZ       LYS  49   1.101   3.408 -11.830
  386   3HZ   LYS  49          3HZ       LYS  49   1.013   2.576 -13.300
  387    H    LYS  50           H        LYS  50  -1.228  -0.259  -9.435
  388    HA   LYS  50           HA       LYS  50  -1.666   0.966 -11.955
  389   1HB   LYS  50          1HB       LYS  50  -1.631  -1.622 -10.998
  390   2HB   LYS  50          1HB       LYS  50  -3.329  -1.370 -11.372
  391   1HG   LYS  50          1HG       LYS  50  -2.565  -2.183 -13.364
  392   2HG   LYS  50          1HG       LYS  50  -2.385  -0.448 -13.630
  393   1HD   LYS  50          1HD       LYS  50  -0.198  -0.692 -13.948
  394   2HD   LYS  50          1HD       LYS  50  -0.025  -1.448 -12.363
  395   1HE   LYS  50          1HE       LYS  50   0.799  -2.911 -14.135
  396   2HE   LYS  50          1HE       LYS  50  -0.600  -3.615 -13.326
  397   1HZ   LYS  50          1HZ       LYS  50  -1.912  -2.528 -15.228
  398   2HZ   LYS  50          2HZ       LYS  50  -1.049  -3.945 -15.554
  399   3HZ   LYS  50          3HZ       LYS  50  -0.422  -2.446 -16.026
  400    H    LEU  51           H        LEU  51  -3.636   0.383  -9.121
  401    HA   LEU  51           HA       LEU  51  -6.098   1.137 -10.296
  402   1HB   LEU  51          1HB       LEU  51  -5.174   0.967  -7.434
  403   2HB   LEU  51          1HB       LEU  51  -6.806   1.432  -7.873
  404    HG   LEU  51           HG       LEU  51  -5.740  -1.134  -8.948
  405   1HD1  LEU  51          1HD1      LEU  51  -6.817  -0.840  -6.149
  406   2HD1  LEU  51          2HD1      LEU  51  -5.123  -1.119  -6.554
  407   3HD1  LEU  51          3HD1      LEU  51  -6.336  -2.336  -6.951
  408   1HD2  LEU  51          1HD2      LEU  51  -8.446  -0.240  -7.959
  409   2HD2  LEU  51          2HD2      LEU  51  -8.079  -1.799  -8.697
  410   3HD2  LEU  51          3HD2      LEU  51  -7.931  -0.319  -9.644
  411    H    ASN  52           H        ASN  52  -3.800   2.875  -8.199
  412    HA   ASN  52           HA       ASN  52  -5.143   5.289  -8.121
  413   1HB   ASN  52          1HB       ASN  52  -3.090   4.470  -6.809
  414   2HB   ASN  52          1HB       ASN  52  -2.257   5.204  -8.130
  415   1HD2  ASN  52          1HD2      ASN  52  -1.563   7.148  -7.714
  416   2HD2  ASN  52          2HD2      ASN  52  -2.385   8.310  -6.743
  417    H    ASP  53           H        ASP  53  -2.807   4.081 -10.401
  418    HA   ASP  53           HA       ASP  53  -2.692   6.501 -11.920
  419   1HB   ASP  53          1HB       ASP  53  -0.891   4.723 -11.830
  420   2HB   ASP  53          1HB       ASP  53  -1.933   3.727 -12.842
  421    H    ALA  54           H        ALA  54  -4.492   3.502 -12.095
  422    HA   ALA  54           HA       ALA  54  -5.648   3.973 -14.641
  423   1HB   ALA  54          1HB       ALA  54  -5.437   1.728 -13.769
  424   2HB   ALA  54          2HB       ALA  54  -7.134   2.101 -14.074
  425   3HB   ALA  54          3HB       ALA  54  -6.508   2.125 -12.425
  426    H    GLN  55           H        GLN  55  -6.516   4.827 -11.362
  427    HA   GLN  55           HA       GLN  55  -9.113   5.831 -12.264
  428   1HB   GLN  55          1HB       GLN  55  -9.744   5.975  -9.943
  429   2HB   GLN  55          1HB       GLN  55  -9.080   4.380 -10.264
  430   1HG   GLN  55          1HG       GLN  55  -6.885   5.823  -9.433
  431   2HG   GLN  55          1HG       GLN  55  -8.186   6.434  -8.419
  432   1HE2  GLN  55          1HE2      GLN  55  -6.596   5.385  -6.900
  433   2HE2  GLN  55          2HE2      GLN  55  -6.906   3.742  -6.504
  434    H    ALA  56           H        ALA  56  -6.294   7.034 -12.586
  435    HA   ALA  56           HA       ALA  56  -6.463   9.499 -11.091
  436   1HB   ALA  56          1HB       ALA  56  -4.535   9.040 -13.328
  437   2HB   ALA  56          2HB       ALA  56  -4.338   8.191 -11.795
  438   3HB   ALA  56          3HB       ALA  56  -4.324   9.955 -11.835
  439    HA   PRO  57           HA       PRO  57  -8.319  12.277 -13.962
  440   1HB   PRO  57          1HB       PRO  57  -5.847  13.895 -14.117
  441   2HB   PRO  57          1HB       PRO  57  -7.462  14.355 -13.569
  442   1HG   PRO  57          1HG       PRO  57  -5.463  14.024 -11.831
  443   2HG   PRO  57          1HG       PRO  57  -7.119  13.527 -11.433
  444   1HD   PRO  57          1HD       PRO  57  -4.788  11.851 -12.288
  445   2HD   PRO  57          1HD       PRO  57  -6.021  11.520 -11.052
  446    H    LYS  58           H        LYS  58  -8.256  13.141 -16.132
  447    HA   LYS  58           HA       LYS  58  -6.859  11.394 -17.946
  448   1HB   LYS  58          1HB       LYS  58  -8.108  12.585 -19.704
  449   2HB   LYS  58          1HB       LYS  58  -9.164  12.015 -18.419
  450   1HG   LYS  58          1HG       LYS  58  -9.944  14.152 -18.873
  451   2HG   LYS  58          1HG       LYS  58  -8.932  14.376 -17.446
  452   1HD   LYS  58          1HD       LYS  58  -7.355  14.636 -19.839
  453   2HD   LYS  58          1HD       LYS  58  -8.749  15.715 -19.905
  454   1HE   LYS  58          1HE       LYS  58  -7.964  17.032 -18.260
  455   2HE   LYS  58          1HE       LYS  58  -7.367  15.666 -17.319
  456   1HZ   LYS  58          1HZ       LYS  58  -5.384  16.500 -17.918
  457   2HZ   LYS  58          2HZ       LYS  58  -5.991  17.311 -19.272
  458   3HZ   LYS  58          3HZ       LYS  58  -5.657  15.655 -19.358
  Start of MODEL    9
    1   1H    VAL   1          1HT       VAL   1   7.814  -9.758  14.534
    2   2H    VAL   1          2HT       VAL   1   7.475  -8.076  14.490
    3   3H    VAL   1          3HT       VAL   1   6.651  -9.147  13.433
    4    HA   VAL   1           HA       VAL   1   5.105  -8.795  15.009
    5    HB   VAL   1           HB       VAL   1   6.656 -11.115  16.166
    6   1HG1  VAL   1          1HG1      VAL   1   3.689 -10.570  16.117
    7   2HG1  VAL   1          2HG1      VAL   1   4.744 -10.301  17.505
    8   3HG1  VAL   1          3HG1      VAL   1   4.501 -11.934  16.885
    9   1HG2  VAL   1          1HG2      VAL   1   6.500 -11.903  14.053
   10   2HG2  VAL   1          2HG2      VAL   1   5.187 -10.806  13.625
   11   3HG2  VAL   1          3HG2      VAL   1   4.848 -12.271  14.546
   12    H    ASP   2           H        ASP   2   8.289  -9.095  16.517
   13    HA   ASP   2           HA       ASP   2   7.421  -8.187  19.073
   14   1HB   ASP   2          1HB       ASP   2   9.437  -9.581  18.802
   15   2HB   ASP   2          1HB       ASP   2  10.212  -8.278  17.906
   16    H    ASN   3           H        ASN   3   8.658  -6.713  16.177
   17    HA   ASN   3           HA       ASN   3   8.524  -4.058  17.435
   18   1HB   ASN   3          1HB       ASN   3   9.867  -4.758  14.814
   19   2HB   ASN   3          1HB       ASN   3  10.032  -3.266  15.735
   20   1HD2  ASN   3          1HD2      ASN   3  10.756  -6.696  15.711
   21   2HD2  ASN   3          2HD2      ASN   3  12.110  -6.608  16.778
   22    H    LYS   4           H        LYS   4   8.489  -3.025  14.540
   23    HA   LYS   4           HA       LYS   4   5.591  -3.219  14.209
   24   1HB   LYS   4          1HB       LYS   4   7.108  -1.013  14.359
   25   2HB   LYS   4          1HB       LYS   4   7.201  -1.286  12.625
   26   1HG   LYS   4          1HG       LYS   4   4.580  -1.515  12.883
   27   2HG   LYS   4          1HG       LYS   4   4.883  -0.515  14.306
   28   1HD   LYS   4          1HD       LYS   4   5.852   1.210  12.996
   29   2HD   LYS   4          1HD       LYS   4   5.927   0.176  11.568
   30   1HE   LYS   4          1HE       LYS   4   4.080   1.491  11.120
   31   2HE   LYS   4          1HE       LYS   4   3.349   0.055  11.836
   32   1HZ   LYS   4          1HZ       LYS   4   2.820   2.542  12.630
   33   2HZ   LYS   4          2HZ       LYS   4   4.069   2.155  13.703
   34   3HZ   LYS   4          3HZ       LYS   4   2.682   1.190  13.639
   35    H    PHE   5           H        PHE   5   5.928  -2.182  11.388
   36    HA   PHE   5           HA       PHE   5   5.845  -4.702  10.080
   37   1HB   PHE   5          1HB       PHE   5   5.811  -1.857   9.100
   38   2HB   PHE   5          1HB       PHE   5   5.800  -3.224   7.988
   39    HD1  PHE   5           HD1      PHE   5   3.670  -3.313   7.058
   40    HD2  PHE   5           HD2      PHE   5   4.075  -2.735  11.254
   41    HE1  PHE   5           HE1      PHE   5   1.236  -3.493   7.315
   42    HE2  PHE   5           HE2      PHE   5   1.640  -2.914  11.517
   43    HZ   PHE   5           HZ       PHE   5   0.219  -3.295   9.546
   44    H    ASN   6           H        ASN   6   7.208  -5.155   8.090
   45    HA   ASN   6           HA       ASN   6  10.013  -4.886   8.825
   46   1HB   ASN   6          1HB       ASN   6   8.441  -6.685   7.052
   47   2HB   ASN   6          1HB       ASN   6  10.130  -6.413   6.634
   48   1HD2  ASN   6          1HD2      ASN   6   8.721  -8.810   7.607
   49   2HD2  ASN   6          2HD2      ASN   6   9.582  -9.309   9.020
   50    H    LYS   7           H        LYS   7  11.506  -4.825   6.749
   51    HA   LYS   7           HA       LYS   7  11.354  -2.192   5.762
   52   1HB   LYS   7          1HB       LYS   7  13.030  -4.371   4.558
   53   2HB   LYS   7          1HB       LYS   7  13.359  -2.645   4.622
   54   1HG   LYS   7          1HG       LYS   7  13.187  -3.253   7.263
   55   2HG   LYS   7          1HG       LYS   7  13.872  -4.739   6.601
   56   1HD   LYS   7          1HD       LYS   7  14.963  -1.954   6.197
   57   2HD   LYS   7          1HD       LYS   7  15.624  -3.176   7.285
   58   1HE   LYS   7          1HE       LYS   7  15.542  -4.552   4.951
   59   2HE   LYS   7          1HE       LYS   7  15.846  -2.918   4.363
   60   1HZ   LYS   7          1HZ       LYS   7  17.953  -3.120   4.961
   61   2HZ   LYS   7          2HZ       LYS   7  17.670  -4.705   5.479
   62   3HZ   LYS   7          3HZ       LYS   7  17.515  -3.420   6.568
   63    H    GLU   8           H        GLU   8  11.435  -5.155   3.761
   64    HA   GLU   8           HA       GLU   8  10.618  -4.074   1.382
   65   1HB   GLU   8          1HB       GLU   8   9.802  -6.294   0.763
   66   2HB   GLU   8          1HB       GLU   8  11.323  -6.412   1.636
   67   1HG   GLU   8          1HG       GLU   8  10.287  -7.978   2.833
   68   2HG   GLU   8          1HG       GLU   8   9.516  -6.623   3.658
   69    H    GLN   9           H        GLN   9   8.672  -4.838   4.160
   70    HA   GLN   9           HA       GLN   9   6.171  -4.401   2.822
   71   1HB   GLN   9          1HB       GLN   9   6.290  -6.020   4.627
   72   2HB   GLN   9          1HB       GLN   9   6.880  -4.788   5.732
   73   1HG   GLN   9          1HG       GLN   9   4.738  -4.708   6.368
   74   2HG   GLN   9          1HG       GLN   9   4.558  -3.664   4.960
   75   1HE2  GLN   9          1HE2      GLN   9   2.754  -5.555   6.389
   76   2HE2  GLN   9          2HE2      GLN   9   2.134  -6.579   5.150
   77    H    GLN  10           H        GLN  10   8.369  -2.602   4.877
   78    HA   GLN  10           HA       GLN  10   6.553  -0.398   5.211
   79   1HB   GLN  10          1HB       GLN  10   9.371  -0.956   6.066
   80   2HB   GLN  10          1HB       GLN  10   8.714   0.671   6.179
   81   1HG   GLN  10          1HG       GLN  10   7.265  -1.650   7.385
   82   2HG   GLN  10          1HG       GLN  10   8.593  -0.867   8.236
   83   1HE2  GLN  10          1HE2      GLN  10   7.055  -0.339   9.844
   84   2HE2  GLN  10          2HE2      GLN  10   6.015   1.018   9.636
   85    H    ASN  11           H        ASN  11   8.812  -1.389   2.834
   86    HA   ASN  11           HA       ASN  11   9.360   1.289   1.868
   87   1HB   ASN  11          1HB       ASN  11  10.991  -0.573   1.497
   88   2HB   ASN  11          1HB       ASN  11   9.789  -1.394   0.509
   89   1HD2  ASN  11          1HD2      ASN  11  12.367  -0.628  -0.305
   90   2HD2  ASN  11          2HD2      ASN  11  12.194   0.524  -1.574
   91    H    ALA  12           H        ALA  12   7.311  -1.478   1.124
   92    HA   ALA  12           HA       ALA  12   5.991  -0.273  -1.091
   93   1HB   ALA  12          1HB       ALA  12   5.590  -2.685   0.586
   94   2HB   ALA  12          2HB       ALA  12   5.614  -2.519  -1.169
   95   3HB   ALA  12          3HB       ALA  12   4.175  -2.059  -0.259
   96    H    PHE  13           H        PHE  13   5.465  -0.454   2.380
   97    HA   PHE  13           HA       PHE  13   2.934   0.684   2.545
   98   1HB   PHE  13          1HB       PHE  13   4.356  -0.401   4.381
   99   2HB   PHE  13          1HB       PHE  13   5.100   1.187   4.559
  100    HD1  PHE  13           HD1      PHE  13   2.405  -0.898   5.481
  101    HD2  PHE  13           HD2      PHE  13   3.536   3.159   4.945
  102    HE1  PHE  13           HE1      PHE  13   0.530  -0.199   6.910
  103    HE2  PHE  13           HE2      PHE  13   1.664   3.878   6.377
  104    HZ   PHE  13           HZ       PHE  13   0.154   2.197   7.360
  105    H    TYR  14           H        TYR  14   6.098   2.242   2.771
  106    HA   TYR  14           HA       TYR  14   5.145   4.882   2.970
  107   1HB   TYR  14          1HB       TYR  14   7.713   3.570   2.536
  108   2HB   TYR  14          1HB       TYR  14   7.576   5.065   1.616
  109    HD1  TYR  14           HD1      TYR  14   6.479   4.013   5.037
  110    HD2  TYR  14           HD2      TYR  14   8.662   6.795   2.672
  111    HE1  TYR  14           HE1      TYR  14   7.019   5.301   7.062
  112    HE2  TYR  14           HE2      TYR  14   9.209   8.090   4.690
  113    HH   TYR  14           HH       TYR  14   9.361   7.801   7.079
  114    H    GLU  15           H        GLU  15   5.971   2.855   0.193
  115    HA   GLU  15           HA       GLU  15   5.668   4.777  -1.819
  116   1HB   GLU  15          1HB       GLU  15   5.508   1.807  -1.684
  117   2HB   GLU  15          1HB       GLU  15   4.816   2.582  -3.103
  118   1HG   GLU  15          1HG       GLU  15   7.582   3.267  -2.209
  119   2HG   GLU  15          1HG       GLU  15   7.278   1.805  -3.145
  120    H    ILE  16           H        ILE  16   3.358   2.846  -0.047
  121    HA   ILE  16           HA       ILE  16   1.080   3.527  -1.602
  122    HB   ILE  16           HB       ILE  16   1.646   2.127   0.956
  123   1HG1  ILE  16          1HG1      ILE  16   1.568   1.052  -1.331
  124   2HG1  ILE  16          1HG1      ILE  16   0.582   0.285  -0.091
  125   1HG2  ILE  16          1HG2      ILE  16  -0.151   3.196   1.888
  126   2HG2  ILE  16          2HG2      ILE  16  -0.978   1.858   1.089
  127   3HG2  ILE  16          3HG2      ILE  16  -0.947   3.452   0.334
  128   1HD1  ILE  16          1HD1      ILE  16  -0.184   1.400  -2.626
  129   2HD1  ILE  16          2HD1      ILE  16  -1.107   2.126  -1.313
  130   3HD1  ILE  16          3HD1      ILE  16  -1.101   0.375  -1.523
  131    H    LEU  17           H        LEU  17   2.527   4.687   1.404
  132    HA   LEU  17           HA       LEU  17   0.478   6.505   2.082
  133   1HB   LEU  17          1HB       LEU  17   3.281   6.024   2.928
  134   2HB   LEU  17          1HB       LEU  17   2.592   7.592   3.303
  135    HG   LEU  17           HG       LEU  17   1.453   4.929   4.154
  136   1HD1  LEU  17          1HD1      LEU  17   3.309   6.854   5.407
  137   2HD1  LEU  17          2HD1      LEU  17   3.153   5.111   5.631
  138   3HD1  LEU  17          3HD1      LEU  17   2.029   6.207   6.434
  139   1HD2  LEU  17          1HD2      LEU  17   0.084   6.519   5.649
  140   2HD2  LEU  17          2HD2      LEU  17  -0.394   6.327   3.963
  141   3HD2  LEU  17          3HD2      LEU  17   0.511   7.754   4.466
  142    H    HIS  18           H        HIS  18   2.891   6.613  -0.340
  143    HA   HIS  18           HA       HIS  18   2.721   9.540  -0.488
  144   1HB   HIS  18          1HB       HIS  18   4.954   8.313  -0.364
  145   2HB   HIS  18          1HB       HIS  18   4.648   7.818  -2.024
  146    HD1  HIS  18           HD1      HIS  18   6.366   9.189  -3.232
  147    HD2  HIS  18           HD2      HIS  18   4.049  11.464  -0.639
  148    HE1  HIS  18           HE1      HIS  18   6.990  11.580  -3.695
  149    HE2  HIS  18           HE2      HIS  18   5.637  12.933  -2.056
  150    H    LEU  19           H        LEU  19   0.926   7.185  -1.791
  151    HA   LEU  19           HA       LEU  19   1.149   7.842  -4.566
  152   1HB   LEU  19          1HB       LEU  19  -1.378   6.651  -3.563
  153   2HB   LEU  19          1HB       LEU  19  -0.464   6.292  -4.997
  154    HG   LEU  19           HG       LEU  19   0.785   5.515  -2.459
  155   1HD1  LEU  19          1HD1      LEU  19  -1.839   4.522  -3.377
  156   2HD1  LEU  19          2HD1      LEU  19  -1.166   4.583  -1.750
  157   3HD1  LEU  19          3HD1      LEU  19  -0.666   3.313  -2.866
  158   1HD2  LEU  19          1HD2      LEU  19   1.566   5.161  -4.919
  159   2HD2  LEU  19          2HD2      LEU  19   0.428   3.814  -4.876
  160   3HD2  LEU  19          3HD2      LEU  19   1.769   3.871  -3.733
  161    HA   PRO  20           HA       PRO  20  -1.265  11.599  -3.995
  162   1HB   PRO  20          1HB       PRO  20  -0.721  12.729  -6.354
  163   2HB   PRO  20          1HB       PRO  20   0.505  12.606  -5.086
  164   1HG   PRO  20          1HG       PRO  20   0.111  10.893  -7.511
  165   2HG   PRO  20          1HG       PRO  20   1.615  11.550  -6.840
  166   1HD   PRO  20          1HD       PRO  20   0.743   8.984  -6.416
  167   2HD   PRO  20          1HD       PRO  20   1.802   9.867  -5.299
  168    H    ASN  21           H        ASN  21  -1.626   9.351  -6.672
  169    HA   ASN  21           HA       ASN  21  -4.264  10.478  -7.272
  170   1HB   ASN  21          1HB       ASN  21  -2.858   8.380  -8.912
  171   2HB   ASN  21          1HB       ASN  21  -4.142   9.471  -9.412
  172   1HD2  ASN  21          1HD2      ASN  21  -1.382   8.851 -10.351
  173   2HD2  ASN  21          2HD2      ASN  21  -0.634  10.389 -10.504
  174    H    LEU  22           H        LEU  22  -3.743   8.935  -4.948
  175    HA   LEU  22           HA       LEU  22  -5.326   6.503  -5.486
  176   1HB   LEU  22          1HB       LEU  22  -3.246   5.786  -4.703
  177   2HB   LEU  22          1HB       LEU  22  -3.124   7.101  -3.555
  178    HG   LEU  22           HG       LEU  22  -5.312   5.711  -2.624
  179   1HD1  LEU  22          1HD1      LEU  22  -4.212   3.964  -4.412
  180   2HD1  LEU  22          2HD1      LEU  22  -5.181   3.512  -3.010
  181   3HD1  LEU  22          3HD1      LEU  22  -3.422   3.500  -2.906
  182   1HD2  LEU  22          1HD2      LEU  22  -2.486   6.068  -1.912
  183   2HD2  LEU  22          2HD2      LEU  22  -3.277   4.681  -1.164
  184   3HD2  LEU  22          3HD2      LEU  22  -3.942   6.300  -0.947
  185    H    ASN  23           H        ASN  23  -7.092   6.044  -4.207
  186    HA   ASN  23           HA       ASN  23  -8.144   8.318  -2.705
  187   1HB   ASN  23          1HB       ASN  23  -9.341   6.495  -4.412
  188   2HB   ASN  23          1HB       ASN  23  -9.841   5.937  -2.819
  189   1HD2  ASN  23          1HD2      ASN  23 -11.504   7.012  -4.840
  190   2HD2  ASN  23          2HD2      ASN  23 -12.210   8.455  -4.214
  191    H    GLU  24           H        GLU  24  -9.141   8.022  -0.607
  192    HA   GLU  24           HA       GLU  24  -7.420   6.859   1.229
  193   1HB   GLU  24          1HB       GLU  24  -9.335   7.264   2.864
  194   2HB   GLU  24          1HB       GLU  24  -8.704   8.660   2.001
  195   1HG   GLU  24          1HG       GLU  24 -10.787   7.581   0.432
  196   2HG   GLU  24          1HG       GLU  24 -11.365   7.657   2.096
  197    H    GLU  25           H        GLU  25 -10.504   5.677  -0.036
  198    HA   GLU  25           HA       GLU  25 -10.885   3.516   1.656
  199   1HB   GLU  25          1HB       GLU  25 -12.485   4.348  -0.094
  200   2HB   GLU  25          1HB       GLU  25 -11.506   3.530  -1.302
  201   1HG   GLU  25          1HG       GLU  25 -11.915   1.481   0.352
  202   2HG   GLU  25          1HG       GLU  25 -13.363   2.421   0.708
  203    H    GLN  26           H        GLN  26  -9.686   3.122  -1.665
  204    HA   GLN  26           HA       GLN  26  -8.669   0.595  -1.427
  205   1HB   GLN  26          1HB       GLN  26  -6.877   1.478  -3.158
  206   2HB   GLN  26          1HB       GLN  26  -8.568   1.306  -3.602
  207   1HG   GLN  26          1HG       GLN  26  -8.083   3.912  -2.487
  208   2HG   GLN  26          1HG       GLN  26  -6.970   3.582  -3.812
  209   1HE2  GLN  26          1HE2      GLN  26  -7.877   2.951  -5.857
  210   2HE2  GLN  26          2HE2      GLN  26  -9.446   3.516  -6.309
  211    H    ARG  27           H        ARG  27  -7.057   3.613  -0.520
  212    HA   ARG  27           HA       ARG  27  -4.547   2.470   0.071
  213   1HB   ARG  27          1HB       ARG  27  -5.069   4.936  -0.187
  214   2HB   ARG  27          1HB       ARG  27  -5.725   4.885   1.435
  215   1HG   ARG  27          1HG       ARG  27  -3.558   4.166   2.303
  216   2HG   ARG  27          1HG       ARG  27  -2.889   4.225   0.674
  217   1HD   ARG  27          1HD       ARG  27  -2.582   6.235   2.335
  218   2HD   ARG  27          1HD       ARG  27  -2.866   6.517   0.621
  219    HE   ARG  27           HE       ARG  27  -4.921   7.412   1.133
  220   1HH1  ARG  27          1HH1      ARG  27  -3.630   5.802   3.949
  221   2HH1  ARG  27          2HH1      ARG  27  -4.836   6.436   5.017
  222   1HH2  ARG  27          1HH2      ARG  27  -6.506   8.248   2.539
  223   2HH2  ARG  27          2HH2      ARG  27  -6.469   7.823   4.217
  224    H    ASN  28           H        ASN  28  -7.527   2.739   1.896
  225    HA   ASN  28           HA       ASN  28  -6.360   1.983   4.396
  226   1HB   ASN  28          1HB       ASN  28  -8.548   3.264   4.061
  227   2HB   ASN  28          1HB       ASN  28  -9.272   1.714   3.642
  228   1HD2  ASN  28          1HD2      ASN  28 -10.550   1.286   5.314
  229   2HD2  ASN  28          2HD2      ASN  28 -10.045   1.216   6.965
  230    H    ALA  29           H        ALA  29  -8.367   0.315   1.971
  231    HA   ALA  29           HA       ALA  29  -8.342  -2.212   3.189
  232   1HB   ALA  29          1HB       ALA  29  -9.542  -1.149   0.985
  233   2HB   ALA  29          2HB       ALA  29  -9.540  -2.862   1.402
  234   3HB   ALA  29          3HB       ALA  29  -8.356  -2.232   0.256
  235    H    PHE  30           H        PHE  30  -6.077  -0.569   1.121
  236    HA   PHE  30           HA       PHE  30  -4.429  -2.794   0.512
  237   1HB   PHE  30          1HB       PHE  30  -4.185   0.171   0.282
  238   2HB   PHE  30          1HB       PHE  30  -2.742  -0.813   0.106
  239    HD1  PHE  30           HD1      PHE  30  -3.859  -3.167  -1.305
  240    HD2  PHE  30           HD2      PHE  30  -4.573   0.991  -1.855
  241    HE1  PHE  30           HE1      PHE  30  -4.434  -3.583  -3.658
  242    HE2  PHE  30           HE2      PHE  30  -5.152   0.582  -4.211
  243    HZ   PHE  30           HZ       PHE  30  -5.080  -1.710  -5.116
  244    H    ILE  31           H        ILE  31  -3.957  -0.047   2.730
  245    HA   ILE  31           HA       ILE  31  -1.598  -0.959   3.912
  246    HB   ILE  31           HB       ILE  31  -3.787   0.722   5.140
  247   1HG1  ILE  31          1HG1      ILE  31  -1.149   1.726   4.117
  248   2HG1  ILE  31          1HG1      ILE  31  -2.487   1.465   3.003
  249   1HG2  ILE  31          1HG2      ILE  31  -1.282  -0.307   6.229
  250   2HG2  ILE  31          2HG2      ILE  31  -2.681   0.378   7.054
  251   3HG2  ILE  31          3HG2      ILE  31  -1.451   1.443   6.373
  252   1HD1  ILE  31          1HD1      ILE  31  -3.842   3.056   4.175
  253   2HD1  ILE  31          2HD1      ILE  31  -2.284   3.793   3.800
  254   3HD1  ILE  31          3HD1      ILE  31  -2.621   3.227   5.436
  255    H    GLN  32           H        GLN  32  -4.988  -1.511   4.822
  256    HA   GLN  32           HA       GLN  32  -4.432  -3.026   7.137
  257   1HB   GLN  32          1HB       GLN  32  -6.663  -1.982   6.417
  258   2HB   GLN  32          1HB       GLN  32  -6.865  -3.399   5.396
  259   1HG   GLN  32          1HG       GLN  32  -7.941  -4.189   7.202
  260   2HG   GLN  32          1HG       GLN  32  -6.308  -4.611   7.714
  261   1HE2  GLN  32          1HE2      GLN  32  -6.691  -4.478   9.880
  262   2HE2  GLN  32          2HE2      GLN  32  -7.036  -2.996  10.696
  263    H    SER  33           H        SER  33  -5.288  -4.019   3.827
  264    HA   SER  33           HA       SER  33  -5.107  -6.764   4.152
  265   1HB   SER  33          1HB       SER  33  -5.956  -5.656   2.102
  266   2HB   SER  33          1HB       SER  33  -4.306  -5.185   1.699
  267    HG   SER  33           HG       SER  33  -4.732  -7.062   0.606
  268    H    LEU  34           H        LEU  34  -2.612  -4.401   3.504
  269    HA   LEU  34           HA       LEU  34  -0.455  -6.154   3.091
  270   1HB   LEU  34          1HB       LEU  34  -0.765  -3.517   2.830
  271   2HB   LEU  34          1HB       LEU  34  -0.026  -3.522   4.418
  272    HG   LEU  34           HG       LEU  34   1.961  -4.560   3.571
  273   1HD1  LEU  34          1HD1      LEU  34   0.218  -5.214   1.313
  274   2HD1  LEU  34          2HD1      LEU  34   1.638  -6.055   1.934
  275   3HD1  LEU  34          3HD1      LEU  34   1.834  -4.674   0.854
  276   1HD2  LEU  34          1HD2      LEU  34   0.932  -2.226   2.002
  277   2HD2  LEU  34          2HD2      LEU  34   2.549  -2.874   1.725
  278   3HD2  LEU  34          3HD2      LEU  34   2.109  -2.251   3.315
  279    H    LYS  35           H        LYS  35  -1.717  -4.555   5.977
  280    HA   LYS  35           HA       LYS  35   0.225  -5.494   7.793
  281   1HB   LYS  35          1HB       LYS  35  -1.245  -3.637   8.349
  282   2HB   LYS  35          1HB       LYS  35  -2.657  -4.674   8.218
  283   1HG   LYS  35          1HG       LYS  35  -2.182  -5.790  10.199
  284   2HG   LYS  35          1HG       LYS  35  -0.490  -5.289  10.187
  285   1HD   LYS  35          1HD       LYS  35  -1.619  -2.880  10.309
  286   2HD   LYS  35          1HD       LYS  35  -2.908  -3.815  11.072
  287   1HE   LYS  35          1HE       LYS  35  -1.710  -4.167  12.937
  288   2HE   LYS  35          1HE       LYS  35  -0.222  -4.464  12.039
  289   1HZ   LYS  35          1HZ       LYS  35   0.347  -2.515  12.990
  290   2HZ   LYS  35          2HZ       LYS  35  -1.249  -1.983  13.162
  291   3HZ   LYS  35          3HZ       LYS  35  -0.474  -1.859  11.664
  292    H    ASP  36           H        ASP  36  -2.659  -6.905   6.427
  293    HA   ASP  36           HA       ASP  36  -2.965  -9.008   8.304
  294   1HB   ASP  36          1HB       ASP  36  -4.184  -8.179   5.797
  295   2HB   ASP  36          1HB       ASP  36  -4.040  -9.930   5.910
  296    H    ASP  37           H        ASP  37  -1.867  -9.205   4.907
  297    HA   ASP  37           HA       ASP  37  -0.043 -11.369   5.721
  298   1HB   ASP  37          1HB       ASP  37  -2.086 -12.178   4.488
  299   2HB   ASP  37          1HB       ASP  37  -1.520 -11.266   3.092
  300    HA   PRO  38           HA       PRO  38   2.571  -8.068   3.855
  301   1HB   PRO  38          1HB       PRO  38   4.617  -9.688   5.262
  302   2HB   PRO  38          1HB       PRO  38   4.341  -7.945   5.300
  303   1HG   PRO  38          1HG       PRO  38   3.685  -9.475   7.380
  304   2HG   PRO  38          1HG       PRO  38   2.660  -8.112   6.890
  305   1HD   PRO  38          1HD       PRO  38   2.280 -11.042   6.404
  306   2HD   PRO  38          1HD       PRO  38   1.079  -9.806   6.836
  307    H    SER  39           H        SER  39   2.640 -11.529   3.703
  308    HA   SER  39           HA       SER  39   4.834 -11.926   2.011
  309   1HB   SER  39          1HB       SER  39   3.389 -13.649   3.296
  310   2HB   SER  39          1HB       SER  39   2.364 -13.632   1.862
  311    HG   SER  39           HG       SER  39   3.765 -15.122   1.280
  312    H    GLN  40           H        GLN  40   1.796 -10.493   1.323
  313    HA   GLN  40           HA       GLN  40   2.300 -10.818  -1.563
  314   1HB   GLN  40          1HB       GLN  40  -0.304 -10.492  -0.076
  315   2HB   GLN  40          1HB       GLN  40  -0.166 -10.341  -1.822
  316   1HG   GLN  40          1HG       GLN  40   0.449 -12.607  -2.066
  317   2HG   GLN  40          1HG       GLN  40   0.706 -12.797  -0.332
  318   1HE2  GLN  40          1HE2      GLN  40  -1.086 -12.937   1.041
  319   2HE2  GLN  40          2HE2      GLN  40  -2.656 -13.342   0.445
  320    H    SER  41           H        SER  41   3.549  -8.794  -0.005
  321    HA   SER  41           HA       SER  41   2.160  -6.339  -0.208
  322   1HB   SER  41          1HB       SER  41   4.567  -5.389   0.032
  323   2HB   SER  41          1HB       SER  41   3.886  -6.313   1.370
  324    HG   SER  41           HG       SER  41   5.906  -7.000  -0.432
  325    H    ALA  42           H        ALA  42   4.958  -7.533  -2.111
  326    HA   ALA  42           HA       ALA  42   5.113  -5.547  -3.986
  327   1HB   ALA  42          1HB       ALA  42   6.195  -7.083  -5.436
  328   2HB   ALA  42          2HB       ALA  42   5.368  -8.459  -4.706
  329   3HB   ALA  42          3HB       ALA  42   6.591  -7.579  -3.790
  330    H    ASN  43           H        ASN  43   2.732  -8.130  -3.868
  331    HA   ASN  43           HA       ASN  43   1.621  -7.576  -6.438
  332   1HB   ASN  43          1HB       ASN  43   1.351  -9.755  -5.262
  333   2HB   ASN  43          1HB       ASN  43   0.319  -8.957  -4.079
  334   1HD2  ASN  43          1HD2      ASN  43  -0.323 -11.141  -5.857
  335   2HD2  ASN  43          2HD2      ASN  43  -1.643 -10.607  -6.836
  336    H    LEU  44           H        LEU  44   0.928  -6.614  -3.140
  337    HA   LEU  44           HA       LEU  44  -1.440  -5.143  -3.693
  338   1HB   LEU  44          1HB       LEU  44  -0.930  -6.045  -1.485
  339   2HB   LEU  44          1HB       LEU  44   0.480  -5.015  -1.372
  340    HG   LEU  44           HG       LEU  44  -1.999  -3.541  -1.860
  341   1HD1  LEU  44          1HD1      LEU  44  -2.798  -3.787   0.464
  342   2HD1  LEU  44          2HD1      LEU  44  -1.663  -5.115   0.686
  343   3HD1  LEU  44          3HD1      LEU  44  -2.972  -5.260  -0.486
  344   1HD2  LEU  44          1HD2      LEU  44   0.495  -3.318  -0.300
  345   2HD2  LEU  44          2HD2      LEU  44  -0.924  -2.517   0.375
  346   3HD2  LEU  44          3HD2      LEU  44  -0.367  -2.105  -1.247
  347    H    LEU  45           H        LEU  45   1.892  -4.526  -3.984
  348    HA   LEU  45           HA       LEU  45   1.800  -1.657  -3.858
  349   1HB   LEU  45          1HB       LEU  45   3.801  -3.418  -3.608
  350   2HB   LEU  45          1HB       LEU  45   3.949  -3.111  -5.318
  351    HG   LEU  45           HG       LEU  45   4.330  -0.758  -4.937
  352   1HD1  LEU  45          1HD1      LEU  45   4.640  -0.022  -2.508
  353   2HD1  LEU  45          2HD1      LEU  45   3.697  -1.452  -2.089
  354   3HD1  LEU  45          3HD1      LEU  45   2.991  -0.198  -3.107
  355   1HD2  LEU  45          1HD2      LEU  45   6.263  -2.238  -4.843
  356   2HD2  LEU  45          2HD2      LEU  45   6.018  -2.466  -3.112
  357   3HD2  LEU  45          3HD2      LEU  45   6.459  -0.877  -3.738
  358    H    ALA  46           H        ALA  46   2.421  -4.043  -6.352
  359    HA   ALA  46           HA       ALA  46   2.235  -2.328  -8.563
  360   1HB   ALA  46          1HB       ALA  46   3.187  -4.502  -8.853
  361   2HB   ALA  46          2HB       ALA  46   1.740  -4.420  -9.857
  362   3HB   ALA  46          3HB       ALA  46   1.699  -5.287  -8.322
  363    H    GLU  47           H        GLU  47  -0.182  -3.974  -6.657
  364    HA   GLU  47           HA       GLU  47  -2.363  -3.490  -8.445
  365   1HB   GLU  47          1HB       GLU  47  -2.006  -4.608  -5.750
  366   2HB   GLU  47          1HB       GLU  47  -3.545  -3.795  -5.997
  367   1HG   GLU  47          1HG       GLU  47  -3.849  -5.210  -8.045
  368   2HG   GLU  47          1HG       GLU  47  -2.429  -6.122  -7.535
  369    H    ALA  48           H        ALA  48  -1.394  -1.987  -5.386
  370    HA   ALA  48           HA       ALA  48  -3.342   0.055  -5.455
  371   1HB   ALA  48          1HB       ALA  48  -2.108  -0.632  -3.416
  372   2HB   ALA  48          2HB       ALA  48  -2.069   1.109  -3.698
  373   3HB   ALA  48          3HB       ALA  48  -0.659   0.122  -4.082
  374    H    LYS  49           H        LYS  49  -0.305  -0.381  -7.025
  375    HA   LYS  49           HA       LYS  49   0.146   2.355  -7.670
  376   1HB   LYS  49          1HB       LYS  49   1.994   0.747  -7.617
  377   2HB   LYS  49          1HB       LYS  49   1.234  -0.186  -8.897
  378   1HG   LYS  49          1HG       LYS  49   1.457   2.408  -9.909
  379   2HG   LYS  49          1HG       LYS  49   2.982   2.088  -9.081
  380   1HD   LYS  49          1HD       LYS  49   3.624   0.563 -10.604
  381   2HD   LYS  49          1HD       LYS  49   2.009  -0.138 -10.723
  382   1HE   LYS  49          1HE       LYS  49   1.305   1.530 -12.256
  383   2HE   LYS  49          1HE       LYS  49   2.741   2.508 -11.957
  384   1HZ   LYS  49          1HZ       LYS  49   3.942   1.317 -13.399
  385   2HZ   LYS  49          2HZ       LYS  49   2.453   0.794 -14.007
  386   3HZ   LYS  49          3HZ       LYS  49   3.295  -0.165 -12.897
  387    H    LYS  50           H        LYS  50  -1.225  -0.453  -9.385
  388    HA   LYS  50           HA       LYS  50  -1.753   0.928 -11.801
  389   1HB   LYS  50          1HB       LYS  50  -2.938  -1.560 -10.569
  390   2HB   LYS  50          1HB       LYS  50  -3.457  -0.947 -12.132
  391   1HG   LYS  50          1HG       LYS  50  -0.768  -2.030 -11.359
  392   2HG   LYS  50          1HG       LYS  50  -1.882  -2.627 -12.588
  393   1HD   LYS  50          1HD       LYS  50  -1.533  -0.469 -13.818
  394   2HD   LYS  50          1HD       LYS  50  -0.262  -0.088 -12.654
  395   1HE   LYS  50          1HE       LYS  50   0.669  -1.049 -14.696
  396   2HE   LYS  50          1HE       LYS  50   0.953  -2.098 -13.308
  397   1HZ   LYS  50          1HZ       LYS  50  -0.802  -3.531 -14.005
  398   2HZ   LYS  50          2HZ       LYS  50   0.212  -3.282 -15.335
  399   3HZ   LYS  50          3HZ       LYS  50  -1.269  -2.472 -15.239
  400    H    LEU  51           H        LEU  51  -3.534   0.444  -8.827
  401    HA   LEU  51           HA       LEU  51  -5.974   1.551  -9.729
  402   1HB   LEU  51          1HB       LEU  51  -4.821   1.122  -6.982
  403   2HB   LEU  51          1HB       LEU  51  -6.399   1.846  -7.228
  404    HG   LEU  51           HG       LEU  51  -5.540  -0.955  -7.940
  405   1HD1  LEU  51          1HD1      LEU  51  -6.430  -0.028  -5.580
  406   2HD1  LEU  51          2HD1      LEU  51  -6.756  -1.655  -6.177
  407   3HD1  LEU  51          3HD1      LEU  51  -7.967  -0.387  -6.368
  408   1HD2  LEU  51          1HD2      LEU  51  -8.137  -0.989  -8.509
  409   2HD2  LEU  51          2HD2      LEU  51  -6.911  -0.618  -9.721
  410   3HD2  LEU  51          3HD2      LEU  51  -7.798   0.688  -8.935
  411    H    ASN  52           H        ASN  52  -3.285   2.909  -7.856
  412    HA   ASN  52           HA       ASN  52  -4.230   5.457  -7.467
  413   1HB   ASN  52          1HB       ASN  52  -2.181   4.579  -6.462
  414   2HB   ASN  52          1HB       ASN  52  -1.458   4.697  -8.020
  415   1HD2  ASN  52          1HD2      ASN  52  -0.788   6.635  -8.808
  416   2HD2  ASN  52          2HD2      ASN  52  -0.751   8.044  -7.827
  417    H    ASP  53           H        ASP  53  -2.297   4.222 -10.079
  418    HA   ASP  53           HA       ASP  53  -2.227   6.595 -11.614
  419   1HB   ASP  53          1HB       ASP  53  -2.010   3.737 -12.580
  420   2HB   ASP  53          1HB       ASP  53  -1.453   5.172 -13.437
  421    H    ALA  54           H        ALA  54  -4.460   3.912 -11.475
  422    HA   ALA  54           HA       ALA  54  -5.932   4.452 -13.800
  423   1HB   ALA  54          1HB       ALA  54  -6.426   2.379 -13.047
  424   2HB   ALA  54          2HB       ALA  54  -7.775   3.242 -12.308
  425   3HB   ALA  54          3HB       ALA  54  -6.347   2.853 -11.350
  426    H    GLN  55           H        GLN  55  -6.101   5.886 -10.596
  427    HA   GLN  55           HA       GLN  55  -8.558   7.288 -11.347
  428   1HB   GLN  55          1HB       GLN  55  -7.353   7.822  -8.696
  429   2HB   GLN  55          1HB       GLN  55  -9.037   7.618  -9.145
  430   1HG   GLN  55          1HG       GLN  55  -9.034   5.504  -8.478
  431   2HG   GLN  55          1HG       GLN  55  -7.586   5.135  -9.405
  432   1HE2  GLN  55          1HE2      GLN  55  -6.966   3.788  -7.695
  433   2HE2  GLN  55          2HE2      GLN  55  -6.220   4.448  -6.301
  434    H    ALA  56           H        ALA  56  -5.706   7.820 -12.313
  435    HA   ALA  56           HA       ALA  56  -4.962  10.354 -11.263
  436   1HB   ALA  56          1HB       ALA  56  -3.205  10.291 -12.723
  437   2HB   ALA  56          2HB       ALA  56  -4.158   9.556 -14.013
  438   3HB   ALA  56          3HB       ALA  56  -3.605   8.575 -12.655
  439    HA   PRO  57           HA       PRO  57  -7.419  13.397 -13.268
  440   1HB   PRO  57          1HB       PRO  57  -4.939  14.371 -14.616
  441   2HB   PRO  57          1HB       PRO  57  -6.144  15.274 -13.691
  442   1HG   PRO  57          1HG       PRO  57  -3.787  14.671 -12.615
  443   2HG   PRO  57          1HG       PRO  57  -5.272  14.606 -11.648
  444   1HD   PRO  57          1HD       PRO  57  -3.649  12.380 -12.784
  445   2HD   PRO  57          1HD       PRO  57  -4.581  12.444 -11.275
  446    H    LYS  58           H        LYS  58  -8.661  13.374 -15.042
  447    HA   LYS  58           HA       LYS  58  -7.949  11.653 -17.239
  448   1HB   LYS  58          1HB       LYS  58 -10.380  13.427 -17.077
  449   2HB   LYS  58          1HB       LYS  58 -10.183  11.940 -17.994
  450   1HG   LYS  58          1HG       LYS  58 -10.178  12.079 -14.988
  451   2HG   LYS  58          1HG       LYS  58 -11.601  11.718 -15.968
  452   1HD   LYS  58          1HD       LYS  58 -10.379   9.790 -16.942
  453   2HD   LYS  58          1HD       LYS  58  -9.043  10.123 -15.838
  454   1HE   LYS  58          1HE       LYS  58 -11.862   9.585 -14.926
  455   2HE   LYS  58          1HE       LYS  58 -10.638   8.327 -15.093
  456   1HZ   LYS  58          1HZ       LYS  58 -11.054   9.645 -12.839
  457   2HZ   LYS  58          2HZ       LYS  58  -9.892  10.663 -13.525
  458   3HZ   LYS  58          3HZ       LYS  58  -9.538   9.029 -13.270
  Start of MODEL   10
    1   1H    VAL   1          1HT       VAL   1   6.135  -9.758  19.947
    2   2H    VAL   1          2HT       VAL   1   7.133  -9.618  18.558
    3   3H    VAL   1          3HT       VAL   1   5.994 -10.897  18.674
    4    HA   VAL   1           HA       VAL   1   4.867  -9.532  17.350
    5    HB   VAL   1           HB       VAL   1   4.215  -8.302  20.032
    6   1HG1  VAL   1          1HG1      VAL   1   1.870  -8.513  18.741
    7   2HG1  VAL   1          2HG1      VAL   1   2.950  -8.285  17.365
    8   3HG1  VAL   1          3HG1      VAL   1   2.899  -7.084  18.656
    9   1HG2  VAL   1          1HG2      VAL   1   3.098 -10.156  20.672
   10   2HG2  VAL   1          2HG2      VAL   1   4.234 -10.961  19.591
   11   3HG2  VAL   1          3HG2      VAL   1   2.612 -10.562  19.026
   12    H    ASP   2           H        ASP   2   6.973  -7.768  19.508
   13    HA   ASP   2           HA       ASP   2   6.517  -5.169  18.571
   14   1HB   ASP   2          1HB       ASP   2   7.808  -5.693  20.614
   15   2HB   ASP   2          1HB       ASP   2   9.105  -6.342  19.616
   16    H    ASN   3           H        ASN   3   8.384  -7.811  17.269
   17    HA   ASN   3           HA       ASN   3   9.607  -6.113  15.241
   18   1HB   ASN   3          1HB       ASN   3  10.777  -8.187  14.553
   19   2HB   ASN   3          1HB       ASN   3  11.024  -7.803  16.253
   20   1HD2  ASN   3          1HD2      ASN   3  10.379 -10.226  14.150
   21   2HD2  ASN   3          2HD2      ASN   3   9.629 -11.355  15.222
   22    H    LYS   4           H        LYS   4   7.208  -5.728  14.601
   23    HA   LYS   4           HA       LYS   4   5.810  -7.738  13.190
   24   1HB   LYS   4          1HB       LYS   4   5.604  -4.737  12.861
   25   2HB   LYS   4          1HB       LYS   4   4.400  -5.923  12.376
   26   1HG   LYS   4          1HG       LYS   4   3.906  -6.467  14.637
   27   2HG   LYS   4          1HG       LYS   4   5.285  -5.534  15.223
   28   1HD   LYS   4          1HD       LYS   4   3.079  -4.242  13.651
   29   2HD   LYS   4          1HD       LYS   4   2.944  -4.481  15.394
   30   1HE   LYS   4          1HE       LYS   4   5.136  -3.278  15.626
   31   2HE   LYS   4          1HE       LYS   4   5.026  -2.886  13.911
   32   1HZ   LYS   4          1HZ       LYS   4   2.901  -1.773  14.379
   33   2HZ   LYS   4          2HZ       LYS   4   4.191  -1.068  15.215
   34   3HZ   LYS   4          3HZ       LYS   4   3.108  -2.079  16.030
   35    H    PHE   5           H        PHE   5   5.713  -5.338  10.963
   36    HA   PHE   5           HA       PHE   5   7.085  -6.841   8.979
   37   1HB   PHE   5          1HB       PHE   5   6.047  -4.003   8.904
   38   2HB   PHE   5          1HB       PHE   5   6.553  -4.948   7.507
   39    HD1  PHE   5           HD1      PHE   5   3.915  -4.337   9.919
   40    HD2  PHE   5           HD2      PHE   5   5.238  -6.885   6.781
   41    HE1  PHE   5           HE1      PHE   5   1.641  -5.250   9.707
   42    HE2  PHE   5           HE2      PHE   5   2.962  -7.795   6.560
   43    HZ   PHE   5           HZ       PHE   5   1.167  -6.983   8.025
   44    H    ASN   6           H        ASN   6   8.502  -5.135   7.431
   45    HA   ASN   6           HA       ASN   6  10.426  -3.733   9.077
   46   1HB   ASN   6          1HB       ASN   6  11.291  -5.998   9.167
   47   2HB   ASN   6          1HB       ASN   6  11.241  -6.121   7.412
   48   1HD2  ASN   6          1HD2      ASN   6  13.565  -6.715   8.212
   49   2HD2  ASN   6          2HD2      ASN   6  14.707  -5.423   8.115
   50    H    LYS   7           H        LYS   7  11.602  -4.835   6.019
   51    HA   LYS   7           HA       LYS   7  11.445  -2.119   5.028
   52   1HB   LYS   7          1HB       LYS   7  13.044  -2.832   3.351
   53   2HB   LYS   7          1HB       LYS   7  13.573  -3.313   4.955
   54   1HG   LYS   7          1HG       LYS   7  12.056  -5.283   3.332
   55   2HG   LYS   7          1HG       LYS   7  13.728  -4.944   2.899
   56   1HD   LYS   7          1HD       LYS   7  14.439  -6.255   4.545
   57   2HD   LYS   7          1HD       LYS   7  13.577  -5.268   5.726
   58   1HE   LYS   7          1HE       LYS   7  12.362  -7.104   6.121
   59   2HE   LYS   7          1HE       LYS   7  11.562  -6.745   4.593
   60   1HZ   LYS   7          1HZ       LYS   7  13.878  -8.560   4.985
   61   2HZ   LYS   7          2HZ       LYS   7  13.214  -8.161   3.482
   62   3HZ   LYS   7          3HZ       LYS   7  12.292  -9.017   4.612
   63    H    GLU   8           H        GLU   8  10.324  -5.331   4.038
   64    HA   GLU   8           HA       GLU   8   9.359  -4.625   1.512
   65   1HB   GLU   8          1HB       GLU   8   8.277  -6.750   3.360
   66   2HB   GLU   8          1HB       GLU   8   8.022  -6.654   1.623
   67   1HG   GLU   8          1HG       GLU   8  10.826  -6.687   2.535
   68   2HG   GLU   8          1HG       GLU   8   9.905  -8.175   2.752
   69    H    GLN   9           H        GLN   9   7.658  -4.651   4.634
   70    HA   GLN   9           HA       GLN   9   5.227  -3.738   3.430
   71   1HB   GLN   9          1HB       GLN   9   5.507  -5.171   5.563
   72   2HB   GLN   9          1HB       GLN   9   5.790  -3.635   6.371
   73   1HG   GLN   9          1HG       GLN   9   3.409  -3.677   4.674
   74   2HG   GLN   9          1HG       GLN   9   3.359  -4.798   6.032
   75   1HE2  GLN   9          1HE2      GLN   9   1.978  -3.831   7.348
   76   2HE2  GLN   9          2HE2      GLN   9   2.184  -2.252   8.004
   77    H    GLN  10           H        GLN  10   7.996  -2.210   4.894
   78    HA   GLN  10           HA       GLN  10   6.599   0.286   5.246
   79   1HB   GLN  10          1HB       GLN  10   9.441  -0.568   5.738
   80   2HB   GLN  10          1HB       GLN  10   8.935   1.109   5.881
   81   1HG   GLN  10          1HG       GLN  10   7.300  -0.841   7.355
   82   2HG   GLN  10          1HG       GLN  10   8.954  -0.638   7.924
   83   1HE2  GLN  10          1HE2      GLN  10   6.661   0.022   9.375
   84   2HE2  GLN  10          2HE2      GLN  10   6.658   1.726   9.623
   85    H    ASN  11           H        ASN  11   8.435  -1.254   2.759
   86    HA   ASN  11           HA       ASN  11   9.108   1.246   1.445
   87   1HB   ASN  11          1HB       ASN  11  10.317  -1.124   1.260
   88   2HB   ASN  11          1HB       ASN  11   9.112  -1.381   0.005
   89   1HD2  ASN  11          1HD2      ASN  11  11.159  -1.560  -1.224
   90   2HD2  ASN  11          2HD2      ASN  11  11.790  -0.114  -1.916
   91    H    ALA  12           H        ALA  12   6.739  -1.330   1.326
   92    HA   ALA  12           HA       ALA  12   5.325  -0.282  -0.932
   93   1HB   ALA  12          1HB       ALA  12   3.626  -1.939  -0.389
   94   2HB   ALA  12          2HB       ALA  12   4.399  -2.247   1.166
   95   3HB   ALA  12          3HB       ALA  12   5.231  -2.668  -0.331
   96    H    PHE  13           H        PHE  13   5.116  -0.035   2.578
   97    HA   PHE  13           HA       PHE  13   2.647   1.293   2.707
   98   1HB   PHE  13          1HB       PHE  13   3.915   0.188   4.605
   99   2HB   PHE  13          1HB       PHE  13   4.900   1.649   4.662
  100    HD1  PHE  13           HD1      PHE  13   3.769   3.831   5.064
  101    HD2  PHE  13           HD2      PHE  13   1.838   0.091   5.600
  102    HE1  PHE  13           HE1      PHE  13   2.050   4.925   6.456
  103    HE2  PHE  13           HE2      PHE  13   0.116   1.166   6.993
  104    HZ   PHE  13           HZ       PHE  13   0.217   3.591   7.416
  105    H    TYR  14           H        TYR  14   5.961   2.521   2.675
  106    HA   TYR  14           HA       TYR  14   5.227   5.259   2.749
  107   1HB   TYR  14          1HB       TYR  14   7.681   3.710   2.407
  108   2HB   TYR  14          1HB       TYR  14   7.666   5.167   1.421
  109    HD1  TYR  14           HD1      TYR  14   6.432   4.398   4.868
  110    HD2  TYR  14           HD2      TYR  14   8.931   6.815   2.417
  111    HE1  TYR  14           HE1      TYR  14   7.065   5.728   6.837
  112    HE2  TYR  14           HE2      TYR  14   9.572   8.152   4.379
  113    HH   TYR  14           HH       TYR  14   8.733   8.697   6.590
  114    H    GLU  15           H        GLU  15   5.920   2.992   0.118
  115    HA   GLU  15           HA       GLU  15   5.727   4.824  -2.001
  116   1HB   GLU  15          1HB       GLU  15   5.545   1.878  -1.704
  117   2HB   GLU  15          1HB       GLU  15   4.814   2.558  -3.152
  118   1HG   GLU  15          1HG       GLU  15   7.119   3.816  -3.318
  119   2HG   GLU  15          1HG       GLU  15   7.665   2.464  -2.327
  120    H    ILE  16           H        ILE  16   3.351   3.113  -0.119
  121    HA   ILE  16           HA       ILE  16   1.113   3.735  -1.765
  122    HB   ILE  16           HB       ILE  16   1.637   2.358   0.781
  123   1HG1  ILE  16          1HG1      ILE  16   1.284   1.242  -1.421
  124   2HG1  ILE  16          1HG1      ILE  16   0.193   0.677  -0.160
  125   1HG2  ILE  16          1HG2      ILE  16  -0.914   2.341   1.236
  126   2HG2  ILE  16          2HG2      ILE  16  -0.915   3.859   0.340
  127   3HG2  ILE  16          3HG2      ILE  16   0.052   3.701   1.808
  128   1HD1  ILE  16          1HD1      ILE  16  -0.376   2.124  -2.654
  129   2HD1  ILE  16          2HD1      ILE  16  -1.321   2.607  -1.246
  130   3HD1  ILE  16          3HD1      ILE  16  -1.336   0.928  -1.785
  131    H    LEU  17           H        LEU  17   2.503   5.013   1.217
  132    HA   LEU  17           HA       LEU  17   0.485   6.896   1.781
  133   1HB   LEU  17          1HB       LEU  17   3.233   6.352   2.687
  134   2HB   LEU  17          1HB       LEU  17   2.713   8.016   2.866
  135    HG   LEU  17           HG       LEU  17   1.472   5.567   4.105
  136   1HD1  LEU  17          1HD1      LEU  17   3.002   7.933   5.117
  137   2HD1  LEU  17          2HD1      LEU  17   3.271   6.217   5.423
  138   3HD1  LEU  17          3HD1      LEU  17   1.904   7.042   6.171
  139   1HD2  LEU  17          1HD2      LEU  17   0.319   8.214   3.540
  140   2HD2  LEU  17          2HD2      LEU  17   0.128   7.645   5.198
  141   3HD2  LEU  17          3HD2      LEU  17  -0.475   6.672   3.857
  142    H    HIS  18           H        HIS  18   2.945   6.861  -0.605
  143    HA   HIS  18           HA       HIS  18   2.903   9.767  -0.879
  144   1HB   HIS  18          1HB       HIS  18   5.053   8.484  -0.888
  145   2HB   HIS  18          1HB       HIS  18   4.565   7.784  -2.427
  146    HD1  HIS  18           HD1      HIS  18   4.784  11.343  -1.062
  147    HD2  HIS  18           HD2      HIS  18   5.727   9.129  -4.450
  148    HE1  HIS  18           HE1      HIS  18   5.847  12.972  -2.656
  149    HE2  HIS  18           HE2      HIS  18   6.490  11.591  -4.662
  150    H    LEU  19           H        LEU  19   0.952   7.377  -2.077
  151    HA   LEU  19           HA       LEU  19   0.953   8.158  -4.829
  152   1HB   LEU  19          1HB       LEU  19  -1.474   6.877  -3.700
  153   2HB   LEU  19          1HB       LEU  19  -0.652   6.596  -5.201
  154    HG   LEU  19           HG       LEU  19   0.821   5.742  -2.826
  155   1HD1  LEU  19          1HD1      LEU  19  -0.649   4.294  -1.985
  156   2HD1  LEU  19          2HD1      LEU  19  -1.060   3.692  -3.589
  157   3HD1  LEU  19          3HD1      LEU  19  -1.882   5.110  -2.941
  158   1HD2  LEU  19          1HD2      LEU  19   0.186   4.349  -5.414
  159   2HD2  LEU  19          2HD2      LEU  19   1.441   3.921  -4.251
  160   3HD2  LEU  19          3HD2      LEU  19   1.569   5.418  -5.174
  161    HA   PRO  20           HA       PRO  20  -1.436  11.855  -3.880
  162   1HB   PRO  20          1HB       PRO  20  -1.119  13.086  -6.230
  163   2HB   PRO  20          1HB       PRO  20   0.209  12.938  -5.073
  164   1HG   PRO  20          1HG       PRO  20  -0.356  11.310  -7.523
  165   2HG   PRO  20          1HG       PRO  20   1.186  11.978  -6.957
  166   1HD   PRO  20          1HD       PRO  20   0.425   9.382  -6.562
  167   2HD   PRO  20          1HD       PRO  20   1.532  10.256  -5.486
  168    H    ASN  21           H        ASN  21  -2.126   9.566  -6.420
  169    HA   ASN  21           HA       ASN  21  -4.734  10.833  -6.840
  170   1HB   ASN  21          1HB       ASN  21  -3.735   8.620  -8.588
  171   2HB   ASN  21          1HB       ASN  21  -4.821   9.943  -8.986
  172   1HD2  ASN  21          1HD2      ASN  21  -2.252   8.827 -10.075
  173   2HD2  ASN  21          2HD2      ASN  21  -1.259  10.213 -10.279
  174    H    LEU  22           H        LEU  22  -4.079   9.187  -4.556
  175    HA   LEU  22           HA       LEU  22  -5.871   6.907  -5.017
  176   1HB   LEU  22          1HB       LEU  22  -3.333   6.923  -3.965
  177   2HB   LEU  22          1HB       LEU  22  -4.346   6.891  -2.532
  178    HG   LEU  22           HG       LEU  22  -5.507   5.020  -4.185
  179   1HD1  LEU  22          1HD1      LEU  22  -3.232   3.594  -4.420
  180   2HD1  LEU  22          2HD1      LEU  22  -2.630   5.217  -4.759
  181   3HD1  LEU  22          3HD1      LEU  22  -3.940   4.543  -5.728
  182   1HD2  LEU  22          1HD2      LEU  22  -3.678   4.878  -1.828
  183   2HD2  LEU  22          2HD2      LEU  22  -4.260   3.401  -2.594
  184   3HD2  LEU  22          3HD2      LEU  22  -5.409   4.557  -1.921
  185    H    ASN  23           H        ASN  23  -7.389   6.349  -3.413
  186    HA   ASN  23           HA       ASN  23  -8.345   8.689  -1.907
  187   1HB   ASN  23          1HB       ASN  23 -10.512   7.351  -1.804
  188   2HB   ASN  23          1HB       ASN  23 -10.036   7.932  -3.396
  189   1HD2  ASN  23          1HD2      ASN  23 -11.577   5.555  -2.194
  190   2HD2  ASN  23          2HD2      ASN  23 -10.978   4.214  -3.096
  191    H    GLU  24           H        GLU  24  -9.134   8.421   0.242
  192    HA   GLU  24           HA       GLU  24  -7.459   7.050   1.943
  193   1HB   GLU  24          1HB       GLU  24  -9.354   8.927   2.283
  194   2HB   GLU  24          1HB       GLU  24 -10.209   7.528   2.919
  195   1HG   GLU  24          1HG       GLU  24  -8.878   7.364   4.735
  196   2HG   GLU  24          1HG       GLU  24  -7.445   7.923   3.873
  197    H    GLU  25           H        GLU  25 -10.648   6.093   0.760
  198    HA   GLU  25           HA       GLU  25 -10.958   3.787   2.312
  199   1HB   GLU  25          1HB       GLU  25 -12.638   5.000   0.751
  200   2HB   GLU  25          1HB       GLU  25 -11.976   3.966  -0.508
  201   1HG   GLU  25          1HG       GLU  25 -13.014   2.823   2.057
  202   2HG   GLU  25          1HG       GLU  25 -14.091   3.202   0.713
  203    H    GLN  26           H        GLN  26  -9.600   4.163  -0.948
  204    HA   GLN  26           HA       GLN  26  -8.954   1.417  -1.244
  205   1HB   GLN  26          1HB       GLN  26  -9.215   3.299  -3.043
  206   2HB   GLN  26          1HB       GLN  26  -7.506   3.574  -2.734
  207   1HG   GLN  26          1HG       GLN  26  -6.878   1.713  -3.812
  208   2HG   GLN  26          1HG       GLN  26  -8.235   0.772  -3.194
  209   1HE2  GLN  26          1HE2      GLN  26  -7.013   2.648  -5.787
  210   2HE2  GLN  26          2HE2      GLN  26  -8.358   2.460  -6.855
  211    H    ARG  27           H        ARG  27  -6.980   4.278  -0.463
  212    HA   ARG  27           HA       ARG  27  -4.540   2.932  -0.192
  213   1HB   ARG  27          1HB       ARG  27  -5.195   5.499  -0.204
  214   2HB   ARG  27          1HB       ARG  27  -5.174   5.280   1.536
  215   1HG   ARG  27          1HG       ARG  27  -2.849   4.380  -0.109
  216   2HG   ARG  27          1HG       ARG  27  -3.038   6.085   0.298
  217   1HD   ARG  27          1HD       ARG  27  -2.691   3.749   2.158
  218   2HD   ARG  27          1HD       ARG  27  -1.645   5.156   1.964
  219    HE   ARG  27           HE       ARG  27  -4.034   4.970   3.558
  220   1HH1  ARG  27          1HH1      ARG  27  -1.865   7.133   1.885
  221   2HH1  ARG  27          2HH1      ARG  27  -2.284   8.504   2.855
  222   1HH2  ARG  27          1HH2      ARG  27  -4.587   6.773   4.834
  223   2HH2  ARG  27          2HH2      ARG  27  -3.829   8.301   4.530
  224    H    ASN  28           H        ASN  28  -7.241   3.370   1.995
  225    HA   ASN  28           HA       ASN  28  -5.890   2.483   4.336
  226   1HB   ASN  28          1HB       ASN  28  -7.950   3.839   4.432
  227   2HB   ASN  28          1HB       ASN  28  -8.855   2.505   3.724
  228   1HD2  ASN  28          1HD2      ASN  28 -10.210   2.242   5.456
  229   2HD2  ASN  28          2HD2      ASN  28  -9.683   1.631   6.983
  230    H    ALA  29           H        ALA  29  -8.115   0.896   2.036
  231    HA   ALA  29           HA       ALA  29  -8.162  -1.621   3.242
  232   1HB   ALA  29          1HB       ALA  29  -8.301  -2.216   0.567
  233   2HB   ALA  29          2HB       ALA  29  -8.811  -0.528   0.606
  234   3HB   ALA  29          3HB       ALA  29  -9.664  -1.730   1.576
  235    H    PHE  30           H        PHE  30  -5.906  -0.236   0.923
  236    HA   PHE  30           HA       PHE  30  -4.304  -2.501   0.497
  237   1HB   PHE  30          1HB       PHE  30  -3.902   0.447   0.236
  238   2HB   PHE  30          1HB       PHE  30  -2.510  -0.616   0.112
  239    HD1  PHE  30           HD1      PHE  30  -3.632  -2.919  -1.306
  240    HD2  PHE  30           HD2      PHE  30  -4.277   1.243  -1.907
  241    HE1  PHE  30           HE1      PHE  30  -4.163  -3.350  -3.666
  242    HE2  PHE  30           HE2      PHE  30  -4.814   0.820  -4.272
  243    HZ   PHE  30           HZ       PHE  30  -4.754  -1.483  -5.153
  244    H    ILE  31           H        ILE  31  -3.788   0.253   2.691
  245    HA   ILE  31           HA       ILE  31  -1.496  -0.644   3.951
  246    HB   ILE  31           HB       ILE  31  -3.791   0.994   5.013
  247   1HG1  ILE  31          1HG1      ILE  31  -2.495   2.068   3.272
  248   2HG1  ILE  31          1HG1      ILE  31  -2.123   2.831   4.813
  249   1HG2  ILE  31          1HG2      ILE  31  -1.856   1.634   6.726
  250   2HG2  ILE  31          2HG2      ILE  31  -1.406  -0.045   6.430
  251   3HG2  ILE  31          3HG2      ILE  31  -3.013   0.342   7.045
  252   1HD1  ILE  31          1HD1      ILE  31  -0.248   0.794   4.544
  253   2HD1  ILE  31          2HD1      ILE  31   0.015   2.525   4.339
  254   3HD1  ILE  31          3HD1      ILE  31  -0.379   1.521   2.944
  255    H    GLN  32           H        GLN  32  -4.873  -1.481   4.581
  256    HA   GLN  32           HA       GLN  32  -4.307  -3.030   6.896
  257   1HB   GLN  32          1HB       GLN  32  -6.571  -2.006   6.060
  258   2HB   GLN  32          1HB       GLN  32  -6.716  -3.517   5.173
  259   1HG   GLN  32          1HG       GLN  32  -7.895  -3.790   7.196
  260   2HG   GLN  32          1HG       GLN  32  -6.403  -4.717   7.348
  261   1HE2  GLN  32          1HE2      GLN  32  -7.910  -3.946   9.536
  262   2HE2  GLN  32          2HE2      GLN  32  -7.014  -2.795  10.460
  263    H    SER  33           H        SER  33  -4.400  -3.633   3.469
  264    HA   SER  33           HA       SER  33  -4.433  -6.471   3.607
  265   1HB   SER  33          1HB       SER  33  -4.850  -4.811   1.575
  266   2HB   SER  33          1HB       SER  33  -3.129  -5.078   1.311
  267    HG   SER  33           HG       SER  33  -3.698  -7.393   1.445
  268    H    LEU  34           H        LEU  34  -1.858  -4.080   3.262
  269    HA   LEU  34           HA       LEU  34   0.242  -5.992   3.201
  270   1HB   LEU  34          1HB       LEU  34   1.713  -4.006   3.669
  271   2HB   LEU  34          1HB       LEU  34   0.726  -3.896   2.226
  272    HG   LEU  34           HG       LEU  34  -0.909  -2.611   3.885
  273   1HD1  LEU  34          1HD1      LEU  34   0.144  -1.419   5.593
  274   2HD1  LEU  34          2HD1      LEU  34   1.757  -1.814   4.999
  275   3HD1  LEU  34          3HD1      LEU  34   0.771  -3.058   5.765
  276   1HD2  LEU  34          1HD2      LEU  34   0.653  -0.534   3.258
  277   2HD2  LEU  34          2HD2      LEU  34  -0.361  -1.364   2.076
  278   3HD2  LEU  34          3HD2      LEU  34   1.356  -1.751   2.193
  279    H    LYS  35           H        LYS  35  -1.460  -4.259   5.709
  280    HA   LYS  35           HA       LYS  35   0.395  -4.973   7.772
  281   1HB   LYS  35          1HB       LYS  35  -0.867  -3.697   9.195
  282   2HB   LYS  35          1HB       LYS  35  -1.310  -2.963   7.664
  283   1HG   LYS  35          1HG       LYS  35  -3.362  -3.200   8.637
  284   2HG   LYS  35          1HG       LYS  35  -3.256  -4.714   7.740
  285   1HD   LYS  35          1HD       LYS  35  -2.068  -5.380  10.105
  286   2HD   LYS  35          1HD       LYS  35  -3.305  -4.236  10.629
  287   1HE   LYS  35          1HE       LYS  35  -4.548  -5.904   8.749
  288   2HE   LYS  35          1HE       LYS  35  -3.585  -6.968   9.773
  289   1HZ   LYS  35          1HZ       LYS  35  -6.040  -6.121  10.388
  290   2HZ   LYS  35          2HZ       LYS  35  -5.113  -4.950  11.182
  291   3HZ   LYS  35          3HZ       LYS  35  -4.891  -6.588  11.539
  292    H    ASP  36           H        ASP  36  -2.349  -6.406   6.246
  293    HA   ASP  36           HA       ASP  36  -2.832  -8.298   8.383
  294   1HB   ASP  36          1HB       ASP  36  -4.662  -7.433   6.921
  295   2HB   ASP  36          1HB       ASP  36  -3.932  -8.286   5.565
  296    H    ASP  37           H        ASP  37  -1.420  -8.319   5.129
  297    HA   ASP  37           HA       ASP  37   0.028 -10.764   5.823
  298   1HB   ASP  37          1HB       ASP  37  -1.965 -11.477   4.575
  299   2HB   ASP  37          1HB       ASP  37  -1.518 -10.403   3.254
  300    HA   PRO  38           HA       PRO  38   3.119  -8.161   3.833
  301   1HB   PRO  38          1HB       PRO  38   5.219  -9.745   4.815
  302   2HB   PRO  38          1HB       PRO  38   4.567  -8.290   5.564
  303   1HG   PRO  38          1HG       PRO  38   4.411 -10.936   6.544
  304   2HG   PRO  38          1HG       PRO  38   3.594  -9.509   7.195
  305   1HD   PRO  38          1HD       PRO  38   2.535 -11.678   5.487
  306   2HD   PRO  38          1HD       PRO  38   1.686 -10.607   6.618
  307    H    SER  39           H        SER  39   2.876 -11.628   3.574
  308    HA   SER  39           HA       SER  39   4.889 -12.105   1.695
  309   1HB   SER  39          1HB       SER  39   2.298 -13.557   2.235
  310   2HB   SER  39          1HB       SER  39   3.531 -14.154   1.124
  311    HG   SER  39           HG       SER  39   3.515 -14.793   3.513
  312    H    GLN  40           H        GLN  40   1.984 -10.367   1.273
  313    HA   GLN  40           HA       GLN  40   2.259 -10.662  -1.645
  314   1HB   GLN  40          1HB       GLN  40  -0.248 -10.369   0.001
  315   2HB   GLN  40          1HB       GLN  40  -0.212 -10.114  -1.739
  316   1HG   GLN  40          1HG       GLN  40  -0.069 -12.312  -2.196
  317   2HG   GLN  40          1HG       GLN  40   0.948 -12.648  -0.796
  318   1HE2  GLN  40          1HE2      GLN  40  -0.110 -14.306   0.113
  319   2HE2  GLN  40          2HE2      GLN  40  -1.744 -14.245   0.673
  320    H    SER  41           H        SER  41   3.572  -8.698   0.027
  321    HA   SER  41           HA       SER  41   2.217  -6.214  -0.115
  322   1HB   SER  41          1HB       SER  41   4.419  -7.056   1.206
  323   2HB   SER  41          1HB       SER  41   5.179  -6.189  -0.128
  324    HG   SER  41           HG       SER  41   4.810  -4.526   1.118
  325    H    ALA  42           H        ALA  42   4.968  -7.474  -2.052
  326    HA   ALA  42           HA       ALA  42   5.180  -5.421  -3.874
  327   1HB   ALA  42          1HB       ALA  42   6.832  -6.919  -4.270
  328   2HB   ALA  42          2HB       ALA  42   5.700  -7.508  -5.487
  329   3HB   ALA  42          3HB       ALA  42   5.804  -8.308  -3.919
  330    H    ASN  43           H        ASN  43   2.768  -7.971  -3.774
  331    HA   ASN  43           HA       ASN  43   1.673  -7.442  -6.347
  332   1HB   ASN  43          1HB       ASN  43   1.318  -9.553  -5.006
  333   2HB   ASN  43          1HB       ASN  43   0.229  -8.634  -3.970
  334   1HD2  ASN  43          1HD2      ASN  43   0.777  -9.667  -7.292
  335   2HD2  ASN  43          2HD2      ASN  43  -0.887  -9.670  -7.758
  336    H    LEU  44           H        LEU  44   1.115  -6.243  -3.114
  337    HA   LEU  44           HA       LEU  44  -1.209  -4.709  -3.700
  338   1HB   LEU  44          1HB       LEU  44  -0.801  -5.402  -1.449
  339   2HB   LEU  44          1HB       LEU  44   0.775  -4.647  -1.440
  340    HG   LEU  44           HG       LEU  44  -1.506  -2.837  -1.942
  341   1HD1  LEU  44          1HD1      LEU  44  -1.060  -4.179   0.714
  342   2HD1  LEU  44          2HD1      LEU  44  -2.534  -4.166  -0.254
  343   3HD1  LEU  44          3HD1      LEU  44  -1.962  -2.680   0.501
  344   1HD2  LEU  44          1HD2      LEU  44   1.054  -2.376  -1.602
  345   2HD2  LEU  44          2HD2      LEU  44   0.622  -2.455   0.106
  346   3HD2  LEU  44          3HD2      LEU  44  -0.157  -1.274  -0.947
  347    H    LEU  45           H        LEU  45   2.157  -4.260  -4.036
  348    HA   LEU  45           HA       LEU  45   2.195  -1.398  -4.106
  349   1HB   LEU  45          1HB       LEU  45   4.123  -3.235  -3.827
  350   2HB   LEU  45          1HB       LEU  45   4.222  -3.027  -5.557
  351    HG   LEU  45           HG       LEU  45   4.718  -0.677  -5.318
  352   1HD1  LEU  45          1HD1      LEU  45   3.473   0.038  -3.475
  353   2HD1  LEU  45          2HD1      LEU  45   5.151   0.176  -2.949
  354   3HD1  LEU  45          3HD1      LEU  45   4.169  -1.188  -2.414
  355   1HD2  LEU  45          1HD2      LEU  45   6.701  -1.853  -5.302
  356   2HD2  LEU  45          2HD2      LEU  45   6.351  -2.632  -3.760
  357   3HD2  LEU  45          3HD2      LEU  45   6.819  -0.933  -3.802
  358    H    ALA  46           H        ALA  46   2.604  -3.945  -6.475
  359    HA   ALA  46           HA       ALA  46   2.391  -2.329  -8.763
  360   1HB   ALA  46          1HB       ALA  46   1.460  -5.176  -8.759
  361   2HB   ALA  46          2HB       ALA  46   3.166  -4.794  -8.524
  362   3HB   ALA  46          3HB       ALA  46   2.345  -4.293 -10.002
  363    H    GLU  47           H        GLU  47   0.012  -3.797  -6.676
  364    HA   GLU  47           HA       GLU  47  -2.216  -3.386  -8.438
  365   1HB   GLU  47          1HB       GLU  47  -1.814  -4.341  -5.674
  366   2HB   GLU  47          1HB       GLU  47  -3.365  -3.578  -5.987
  367   1HG   GLU  47          1HG       GLU  47  -2.200  -5.953  -7.417
  368   2HG   GLU  47          1HG       GLU  47  -3.562  -5.944  -6.297
  369    H    ALA  48           H        ALA  48  -1.154  -1.772  -5.464
  370    HA   ALA  48           HA       ALA  48  -3.072   0.299  -5.587
  371   1HB   ALA  48          1HB       ALA  48  -0.380   0.604  -4.294
  372   2HB   ALA  48          2HB       ALA  48  -1.624  -0.431  -3.592
  373   3HB   ALA  48          3HB       ALA  48  -1.928   1.293  -3.804
  374    H    LYS  49           H        LYS  49  -0.082  -0.263  -7.199
  375    HA   LYS  49           HA       LYS  49   0.395   2.439  -7.970
  376   1HB   LYS  49          1HB       LYS  49   2.207   0.769  -7.839
  377   2HB   LYS  49          1HB       LYS  49   1.434  -0.159  -9.113
  378   1HG   LYS  49          1HG       LYS  49   2.743   0.949 -10.527
  379   2HG   LYS  49          1HG       LYS  49   1.698   2.342 -10.236
  380   1HD   LYS  49          1HD       LYS  49   4.058   1.720  -8.481
  381   2HD   LYS  49          1HD       LYS  49   4.211   2.685  -9.951
  382   1HE   LYS  49          1HE       LYS  49   2.225   3.341  -7.792
  383   2HE   LYS  49          1HE       LYS  49   3.881   3.945  -7.762
  384   1HZ   LYS  49          1HZ       LYS  49   1.674   4.658  -9.537
  385   2HZ   LYS  49          2HZ       LYS  49   3.229   4.655 -10.202
  386   3HZ   LYS  49          3HZ       LYS  49   2.882   5.635  -8.867
  387    H    LYS  50           H        LYS  50  -0.977  -0.452  -9.507
  388    HA   LYS  50           HA       LYS  50  -1.545   0.779 -11.992
  389   1HB   LYS  50          1HB       LYS  50  -1.637  -1.476 -12.285
  390   2HB   LYS  50          1HB       LYS  50  -2.172  -1.771 -10.639
  391   1HG   LYS  50          1HG       LYS  50  -4.049  -0.602 -12.651
  392   2HG   LYS  50          1HG       LYS  50  -3.743  -2.339 -12.605
  393   1HD   LYS  50          1HD       LYS  50  -4.203  -1.413  -9.945
  394   2HD   LYS  50          1HD       LYS  50  -5.499  -0.821 -10.985
  395   1HE   LYS  50          1HE       LYS  50  -4.735  -3.635 -11.390
  396   2HE   LYS  50          1HE       LYS  50  -5.468  -3.268  -9.829
  397   1HZ   LYS  50          1HZ       LYS  50  -6.755  -2.224 -12.245
  398   2HZ   LYS  50          2HZ       LYS  50  -7.447  -2.719 -10.783
  399   3HZ   LYS  50          3HZ       LYS  50  -6.923  -3.873 -11.903
  400    H    LEU  51           H        LEU  51  -3.333   0.336  -9.001
  401    HA   LEU  51           HA       LEU  51  -5.792   1.347  -9.939
  402   1HB   LEU  51          1HB       LEU  51  -4.603   1.037  -7.198
  403   2HB   LEU  51          1HB       LEU  51  -6.174   1.780  -7.431
  404    HG   LEU  51           HG       LEU  51  -5.387  -1.047  -8.128
  405   1HD1  LEU  51          1HD1      LEU  51  -7.681  -0.426  -6.382
  406   2HD1  LEU  51          2HD1      LEU  51  -6.083  -0.089  -5.717
  407   3HD1  LEU  51          3HD1      LEU  51  -6.482  -1.715  -6.272
  408   1HD2  LEU  51          1HD2      LEU  51  -6.968  -0.971  -9.697
  409   2HD2  LEU  51          2HD2      LEU  51  -7.491   0.637  -9.195
  410   3HD2  LEU  51          3HD2      LEU  51  -8.138  -0.792  -8.390
  411    H    ASN  52           H        ASN  52  -3.181   2.884  -8.057
  412    HA   ASN  52           HA       ASN  52  -4.249   5.413  -7.883
  413   1HB   ASN  52          1HB       ASN  52  -2.153   4.414  -6.818
  414   2HB   ASN  52          1HB       ASN  52  -1.412   5.029  -8.248
  415   1HD2  ASN  52          1HD2      ASN  52  -0.476   6.891  -7.998
  416   2HD2  ASN  52          2HD2      ASN  52  -1.024   8.147  -6.958
  417    H    ASP  53           H        ASP  53  -2.413   3.935 -10.425
  418    HA   ASP  53           HA       ASP  53  -2.199   6.331 -11.992
  419   1HB   ASP  53          1HB       ASP  53  -1.819   3.435 -12.769
  420   2HB   ASP  53          1HB       ASP  53  -1.336   4.824 -13.740
  421    H    ALA  54           H        ALA  54  -4.362   3.604 -11.825
  422    HA   ALA  54           HA       ALA  54  -5.717   3.998 -14.259
  423   1HB   ALA  54          1HB       ALA  54  -5.722   1.894 -12.977
  424   2HB   ALA  54          2HB       ALA  54  -7.339   2.432 -13.432
  425   3HB   ALA  54          3HB       ALA  54  -6.766   2.659 -11.779
  426    H    GLN  55           H        GLN  55  -6.190   5.471 -11.094
  427    HA   GLN  55           HA       GLN  55  -8.675   6.680 -12.069
  428   1HB   GLN  55          1HB       GLN  55  -8.062   7.517  -9.390
  429   2HB   GLN  55          1HB       GLN  55  -9.446   6.615  -9.981
  430   1HG   GLN  55          1HG       GLN  55  -8.656   5.092  -8.520
  431   2HG   GLN  55          1HG       GLN  55  -7.666   4.630  -9.900
  432   1HE2  GLN  55          1HE2      GLN  55  -7.233   4.362  -7.033
  433   2HE2  GLN  55          2HE2      GLN  55  -5.729   5.133  -6.731
  434    H    ALA  56           H        ALA  56  -5.849   7.416 -12.840
  435    HA   ALA  56           HA       ALA  56  -5.295   9.968 -11.717
  436   1HB   ALA  56          1HB       ALA  56  -3.372   9.249 -12.634
  437   2HB   ALA  56          2HB       ALA  56  -3.991  10.025 -14.092
  438   3HB   ALA  56          3HB       ALA  56  -4.196   8.289 -13.862
  439    HA   PRO  57           HA       PRO  57  -7.641  12.982 -13.896
  440   1HB   PRO  57          1HB       PRO  57  -5.190  13.841 -15.366
  441   2HB   PRO  57          1HB       PRO  57  -6.348  14.810 -14.447
  442   1HG   PRO  57          1HG       PRO  57  -3.965  14.221 -13.423
  443   2HG   PRO  57          1HG       PRO  57  -5.416  14.226 -12.404
  444   1HD   PRO  57          1HD       PRO  57  -3.874  11.921 -13.499
  445   2HD   PRO  57          1HD       PRO  57  -4.731  12.075 -11.952
  446    H    LYS  58           H        LYS  58  -8.854  13.077 -15.721
  447    HA   LYS  58           HA       LYS  58  -8.203  11.198 -17.842
  448   1HB   LYS  58          1HB       LYS  58 -10.690  12.832 -17.310
  449   2HB   LYS  58          1HB       LYS  58 -10.514  11.686 -18.632
  450   1HG   LYS  58          1HG       LYS  58 -11.494  10.278 -17.185
  451   2HG   LYS  58          1HG       LYS  58  -9.855  10.108 -16.556
  452   1HD   LYS  58          1HD       LYS  58 -10.476  12.122 -15.056
  453   2HD   LYS  58          1HD       LYS  58 -12.142  11.710 -15.467
  454   1HE   LYS  58          1HE       LYS  58 -11.387   9.298 -14.768
  455   2HE   LYS  58          1HE       LYS  58 -10.135  10.170 -13.884
  456   1HZ   LYS  58          1HZ       LYS  58 -12.321  11.536 -13.183
  457   2HZ   LYS  58          2HZ       LYS  58 -11.694  10.241 -12.293
  458   3HZ   LYS  58          3HZ       LYS  58 -12.977   9.987 -13.365