*HEADER    METAL BINDING PROTEIN                   14-JAN-10   2KSZ              
*TITLE     THE SOLUTION STRUCTURE OF THE MAGNESIUM BOUND SOYBEAN                 
*TITLE    2 CALMODULIN ISOFORM 4 N-DOMAIN                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SCAM4 N-TERMINAL DOMAIN;                                   
*COMPND   5 SYNONYM: SCAM4-NT, CALMODULIN;                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GLYCINE MAX;                                    
*SOURCE   3 ORGANISM_COMMON: SOYBEANS;                                           
*SOURCE   4 ORGANISM_TAXID: 3847;                                                
*SOURCE   5 GENE: SCAM-4;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET30B                                     
*KEYWDS    SOYBEAN CALMODULIN ISOFORM 4, MAGNESIUM, RESIDUAL DIPOLAR             
*KEYWDS   2 COUPLING, METAL BINDING PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    H.HUANG, H.ISHIDA, H.J.VOGEL                                          
*REVDAT   1   09-MAR-10 2KSZ    0                                                


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   3  and name N   )
       ( resid   3  and name HN  )  5.5727  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   4  and name N   )
       ( resid   4  and name HN  )  -0.0552  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )  -11.4972  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  )  2.7435  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name N   )
       ( resid   7  and name HN  )  12.2417  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  )  -2.1297  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )  1.6112  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )  13.9558  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )  11.1905  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )  0.9346  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )  5.4354  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )  16.0111  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  14.1783  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )  2.1257  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )  8.7334  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )  20.2706  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )  6.7187  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )  2.3903  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  -4.0562  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )  4.9316  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )  -1.2929  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )  -13.2792  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  2.7410  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )  4.8763  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  -9.8144  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )  5.7780  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  7.7075  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )  -2.4288  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )  -15.2990  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )  11.2138  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )  0.8459  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )  3.8069  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )  1.8064  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  -2.9042  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )  6.0907  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )  10.4343  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )  -6.1718  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )  -0.5226  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )  -9.5783  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )  -1.8799  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  )  -10.2143  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name N   )
       ( resid  48  and name HN  )  -13.9346  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )  -4.6695  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )  -2.7070  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )  -13.4120  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )  -12.2645  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )  1.7912  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  )  -13.8768  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )  -12.5625  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )  -3.4815  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )  -2.3705  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  -4.1008  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )  10.0653  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )  -0.6771  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )  -13.2792  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )  18.9366  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )  14.4485  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )  20.7135  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )  18.4601  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )  14.1505  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )  20.9137  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )  22.2503  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  )  17.9563  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )  19.8027  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )  19.9720  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   2  and name CA  )
       ( resid   2  and name HA  )  -0.1628  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   3  and name CA  )
       ( resid   3  and name HA  )  5.9275  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   4  and name CA  )
       ( resid   4  and name HA  )  -3.4733  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name CA  )
       ( resid   5  and name HA  )  -2.7839  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name CA  )
       ( resid   6  and name HA  )  3.5770  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name CA  )
       ( resid   7  and name HA  )  13.1971  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name CA  )
       ( resid   8  and name HA  )  -18.6598  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name CA  )
       ( resid   9  and name HA  )  -3.3905  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name CA  )
       ( resid  10  and name HA  )  8.5328  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  11  and name CA  )
       ( resid  11  and name HA  )  -6.6353  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name CA  )
       ( resid  12  and name HA  )  -18.2711  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name CA  )
       ( resid  13  and name HA  )  -3.8226  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name CA  )
       ( resid  14  and name HA  )  12.2122  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name CA  )
       ( resid  15  and name HA  )  -12.8622  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name CA  )
       ( resid  16  and name HA  )  -1.7045  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  18  and name CA  )
       ( resid  18  and name HA  )  14.2831  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name CA  )
       ( resid  19  and name HA  )  -6.4646  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name CA  )
       ( resid  20  and name HA  )  -2.7261  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  21  and name CA  )
       ( resid  21  and name HA  )  1.5679  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name CA  )
       ( resid  22  and name HA  )  11.7369  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name CA  )
       ( resid  24  and name HA  )  1.7964  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name CA  )
       ( resid  27  and name HA  )  16.36  0.2000 !modified

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name CA  )
       ( resid  28  and name HA  )  -12.7244  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  29  and name CA  )
       ( resid  29  and name HA  )  0.6316  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name CA  )
       ( resid  30  and name HA  )  11.2838  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name CA  )
       ( resid  31  and name HA  )  -14.3724  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name CA  )
       ( resid  32  and name HA  )  -9.5006  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  33  and name CA  )
       ( resid  33  and name HA  )  11.8459  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name CA  )
       ( resid  34  and name HA  )  -4.3898  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name CA  )
       ( resid  35  and name HA  )  -10.0561  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name CA  )
       ( resid  36  and name HA  )  5.5021  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name CA  )
       ( resid  37  and name HA  )  17.4188  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name CA  )
       ( resid  38  and name HA  )  -20.3432  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name CA  )
       ( resid  39  and name HA  )  -3.1673  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  40  and name CA  )
       ( resid  40  and name HA  )  -8.5354  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  41  and name CA  )
       ( resid  41  and name HA  )  11.3705  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  43  and name CA  )
       ( resid  43  and name HA  )  12.5182  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  45  and name CA  )
       ( resid  45  and name HA  )  4.5619  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  46  and name CA  )
       ( resid  46  and name HA  )  8.5472  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name CA  )
       ( resid  47  and name HA  )  -7.7699  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name CA  )
       ( resid  48  and name HA  )  -6.1035  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name CA  )
       ( resid  49  and name HA  )  25.0758  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name CA  )
       ( resid  50  and name HA  )  -7.0424  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  51  and name CA  )
       ( resid  51  and name HA  )  -14.4183  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name CA  )
       ( resid  52  and name HA  )  -1.4642  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name CA  )
       ( resid  53  and name HA  )  21.7378  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name CA  )
       ( resid  54  and name HA  )  -5.7266  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name CA  )
       ( resid  55  and name HA  )  -8.6825  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  57  and name CA  )
       ( resid  57  and name HA  )  1.2987  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  58  and name CA  )
       ( resid  58  and name HA  )  -8.8834  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  64  and name CA  )
       ( resid  64  and name HA  )  4.1981  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  65  and name CA  )
       ( resid  65  and name HA  )  -8.8361  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name CA  )
       ( resid  66  and name HA  )  11.58  0.200 !modified

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name CA  )
       ( resid  67  and name HA  )  -0.7853  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name CA  )
       ( resid  68  and name HA  )  0.6789  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  69  and name CA  )
       ( resid  69  and name HA  )  -8.1481  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  72  and name CA  )
       ( resid  72  and name HA  )  -10.6562  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name CA  )
       ( resid  73  and name HA  )  0.0026  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  74  and name CA  )
       ( resid  74  and name HA  )  0.0854  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  75  and name CA  )
       ( resid  75  and name HA  )  6.2190  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  76  and name CA  )
       ( resid  76  and name HA  )  -14.9462  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  77  and name CA  )
       ( resid  77  and name HA  )  -8.1165  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  78  and name CA  )
       ( resid  78  and name HA  )  -8.2649  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  79  and name CA  )
       ( resid  79  and name HA  )  -6.4541  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   4  and name CA  )
       ( resid   4  and name C   )  0.6480  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name CA  )
       ( resid   5  and name C   )  5.9789  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name CA  )
       ( resid   6  and name C   )  -2.5108  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name CA  )
       ( resid   7  and name C   )  -6.8  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )  6.1924  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name CA  )
       ( resid   9  and name C   )  -0  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name CA  )
       ( resid  10  and name C   )  -9.9329  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name CA  )
       ( resid  12  and name C   )  16.0959  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )  -6.5311  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name CA  )
       ( resid  14  and name C   )  -11.4047  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )  -2.8859  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name CA  )
       ( resid  17  and name C   )  -18.8939  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  18  and name CA  )
       ( resid  18  and name C   )  -0  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  21  and name CA  )
       ( resid  21  and name C   )  5.1395  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )  -9.7194  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  23  and name CA  )
       ( resid  23  and name C   )  -14.0710  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name CA  )
       ( resid  24  and name C   )  6.7741  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name CA  )
       ( resid  27  and name C   )  -7.6945  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name CA  )
       ( resid  28  and name C   )  17.5317  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name CA  )
       ( resid  30  and name C   )  2.1468  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name CA  )
       ( resid  31  and name C   )  15.7793  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name CA  )
       ( resid  32  and name C   )  -1.6935  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  33  and name CA  )
       ( resid  33  and name C   )  -14.7263  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name CA  )
       ( resid  34  and name C   )  10.1755  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name CA  )
       ( resid  35  and name C   )  17.6131  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name CA  )
       ( resid  37  and name C   )  0.9130  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name CA  )
       ( resid  38  and name C   )  -3.0185  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name CA  )
       ( resid  39  and name C   )  10.9932  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  40  and name CA  )
       ( resid  40  and name C   )  5.7723  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  41  and name CA  )
       ( resid  41  and name C   )  2.7465  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  43  and name CA  )
       ( resid  43  and name C   )  -3.4235  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  44  and name CA  )
       ( resid  44  and name C   )  9.4617  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  45  and name CA  )
       ( resid  45  and name C   )  -14.7267  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  46  and name CA  )
       ( resid  46  and name C   )  -7.9301  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name CA  )
       ( resid  47  and name C   )  19.1663  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name CA  )
       ( resid  48  and name C   )  0.4639  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name CA  )
       ( resid  49  and name C   )  -13.4672  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name CA  )
       ( resid  50  and name C   )  5.1468  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name CA  )
       ( resid  52  and name C   )  -6.4501  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name CA  )
       ( resid  53  and name C   )  -7.7387  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name CA  )
       ( resid  54  and name C   )  5.6913  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  56  and name CA  )
       ( resid  56  and name C   )  -11.3761  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  57  and name CA  )
       ( resid  57  and name C   )  19.2841  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  58  and name CA  )
       ( resid  58  and name C   )  0.1031  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name CA  )
       ( resid  66  and name C   )  5.8758  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name CA  )
       ( resid  67  and name C   )  -3.1146  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name CA  )
       ( resid  68  and name C   )  13.4447  0.2000 

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  69  and name CA  )
       ( resid  69  and name C   )  5.1616  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  70  and name CA  )
       ( resid  70  and name C   )  5.1468  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  71  and name CA  )
       ( resid  71  and name C   )  16.6334  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name CA  )
       ( resid  73  and name C   )  13.5777  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  74  and name CA  )
       ( resid  74  and name C   )  -18.6583  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  75  and name CA  )
       ( resid  75  and name C   )  5.1468  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  76  and name CA  )
       ( resid  76  and name C   )  5.1542  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  77  and name CA  )
       ( resid  77  and name C   )  8.4676  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  78  and name CA  )
       ( resid  78  and name C   )  5.1468  0.2000
!B-sheet
assign (resid   27 and  name   HN  )(resid   63 and  name    O  ) 2.00 0.20 0.20
assign (resid   27 and  name    N  )(resid   63 and  name    O  ) 3.00 0.20 0.20
assign (resid   63 and  name   HN  )(resid   27 and  name    O  ) 2.00 0.20 0.20
assign (resid   63 and  name    N  )(resid   27 and  name    O  ) 3.00 0.20 0.20
!A-helix
assign (resid    6 and  name    O  )(resid   10 and  name   HN  ) 2.00 0.20 0.20
assign (resid    6 and  name    O  )(resid   10 and  name    N  ) 3.00 0.20 0.20
assign (resid    7 and  name    O  )(resid   11 and  name   HN  ) 2.00 0.20 0.20
assign (resid    7 and  name    O  )(resid   11 and  name    N  ) 3.00 0.20 0.20
assign (resid    8 and  name    O  )(resid   12 and  name   HN  ) 2.00 0.20 0.20
assign (resid    8 and  name    O  )(resid   12 and  name    N  ) 3.00 0.20 0.20
assign (resid    9 and  name    O  )(resid   13 and  name   HN  ) 2.00 0.20 0.20
assign (resid    9 and  name    O  )(resid   13 and  name    N  ) 3.00 0.20 0.20
assign (resid   10 and  name    O  )(resid   14 and  name   HN  ) 2.00 0.20 0.20
assign (resid   10 and  name    O  )(resid   14 and  name    N  ) 3.00 0.20 0.20
assign (resid   11 and  name    O  )(resid   15 and  name   HN  ) 2.00 0.20 0.20
assign (resid   11 and  name    O  )(resid   15 and  name    N  ) 3.00 0.20 0.20
assign (resid   12 and  name    O  )(resid   16 and  name   HN  ) 2.00 0.20 0.20
assign (resid   12 and  name    O  )(resid   16 and  name    N  ) 3.00 0.20 0.20
assign (resid   13 and  name    O  )(resid   17 and  name   HN  ) 2.00 0.20 0.20
assign (resid   13 and  name    O  )(resid   17 and  name    N  ) 3.00 0.20 0.20
assign (resid   14 and  name    O  )(resid   18 and  name   HN  ) 2.00 0.20 0.20
assign (resid   14 and  name    O  )(resid   18 and  name    N  ) 3.00 0.20 0.20
!B-helix
assign (resid   29 and  name    O  )(resid   33 and  name   HN  ) 2.00 0.20 0.20
assign (resid   29 and  name    O  )(resid   33 and  name    N  ) 3.00 0.20 0.20
assign (resid   30 and  name    O  )(resid   34 and  name   HN  ) 2.00 0.20 0.20
assign (resid   30 and  name    O  )(resid   34 and  name    N  ) 3.00 0.20 0.20
assign (resid   31 and  name    O  )(resid   35 and  name   HN  ) 2.00 0.20 0.20
assign (resid   31 and  name    O  )(resid   35 and  name    N  ) 3.00 0.20 0.20
assign (resid   32 and  name    O  )(resid   36 and  name   HN  ) 2.00 0.20 0.20
assign (resid   32 and  name    O  )(resid   36 and  name    N  ) 3.00 0.20 0.20
assign (resid   33 and  name    O  )(resid   37 and  name   HN  ) 2.00 0.20 0.20
assign (resid   33 and  name    O  )(resid   37 and  name    N  ) 3.00 0.20 0.20
assign (resid   34 and  name    O  )(resid   38 and  name   HN  ) 2.00 0.20 0.20
assign (resid   34 and  name    O  )(resid   38 and  name    N  ) 3.00 0.20 0.20
!C-helix
assign (resid   45 and  name    O  )(resid   49 and  name   HN  ) 2.00 0.20 0.20
assign (resid   45 and  name    O  )(resid   49 and  name    N  ) 3.00 0.20 0.20
assign (resid   46 and  name    O  )(resid   50 and  name   HN  ) 2.00 0.20 0.20
assign (resid   46 and  name    O  )(resid   50 and  name    N  ) 3.00 0.20 0.20
assign (resid   47 and  name    O  )(resid   51 and  name   HN  ) 2.00 0.20 0.20
assign (resid   47 and  name    O  )(resid   51 and  name    N  ) 3.00 0.20 0.20
assign (resid   48 and  name    O  )(resid   52 and  name   HN  ) 2.00 0.20 0.20
assign (resid   48 and  name    O  )(resid   52 and  name    N  ) 3.00 0.20 0.20
assign (resid   49 and  name    O  )(resid   53 and  name   HN  ) 2.00 0.20 0.20
assign (resid   49 and  name    O  )(resid   53 and  name    N  ) 3.00 0.20 0.20
assign (resid   50 and  name    O  )(resid   54 and  name   HN  ) 2.00 0.20 0.20
assign (resid   50 and  name    O  )(resid   54 and  name    N  ) 3.00 0.20 0.20
!D-helix
assign (resid   65 and  name    O  )(resid   69 and  name   HN  ) 2.00 0.20 0.20
assign (resid   65 and  name    O  )(resid   69 and  name    N  ) 3.00 0.20 0.20
assign (resid   66 and  name    O  )(resid   70 and  name   HN  ) 2.00 0.20 0.20
assign (resid   66 and  name    O  )(resid   70 and  name    N  ) 3.00 0.20 0.20
assign (resid   67 and  name    O  )(resid   71 and  name   HN  ) 2.00 0.20 0.20
assign (resid   67 and  name    O  )(resid   71 and  name    N  ) 3.00 0.20 0.20
assign (resid   68 and  name    O  )(resid   72 and  name   HN  ) 2.00 0.20 0.20
assign (resid   68 and  name    O  )(resid   72 and  name    N  ) 3.00 0.20 0.20
assign (resid   69 and  name    O  )(resid   73 and  name   HN  ) 2.00 0.20 0.20
assign (resid   69 and  name    O  )(resid   73 and  name    N  ) 3.00 0.20 0.20
assign (resid   70 and  name    O  )(resid   74 and  name   HN  ) 2.00 0.20 0.20
assign (resid   70 and  name    O  )(resid   74 and  name    N  ) 3.00 0.20 0.20
!EF1
assign ( resid  20 and name  OD1 ) ( resid 100 and name   CA ) 2.09 0.10 0.10
assign ( resid  22 and name  OD1 ) ( resid 100 and name   CA ) 2.14 0.10 0.10
assign ( resid  24 and name  OD1 ) ( resid 100 and name   CA ) 2.23 0.10 0.10
assign ( resid  26 and name    O ) ( resid 100 and name   CA ) 2.20 0.10 0.10
assign ( resid  31 and name  OE1 ) ( resid 100 and name   CA ) 3.32 0.10 0.10
assign ( resid  31 and name  OE2 ) ( resid 100 and name   CA ) 2.12 0.10 0.10
!EF2
assign ( resid  56 and name  OD1 ) ( resid 101 and name   CA ) 2.06 0.10 0.10
assign ( resid  58 and name  OD1 ) ( resid 101 and name   CA ) 2.13 0.10 0.10
assign ( resid  60 and name  OD1 ) ( resid 101 and name   CA ) 2.26 0.10 0.10 
assign ( resid  62 and name    O ) ( resid 101 and name   CA ) 2.15 0.10 0.10 
assign ( resid  67 and name  OE1 ) ( resid 101 and name   CA ) 2.86 0.10 0.10
assign ( resid  67 and name  OE2 ) ( resid 101 and name   CA ) 2.17 0.10 0.10 

set message=off echo=off end
restraints dihedral reset
assign (resid  1 and name n )   (resid  1 and name ca)
       (resid  1 and name c )   (resid  2 and name n )  1.0 76.4 30.0 2
assign (resid  1 and name c )   (resid  2 and name n )
       (resid  2 and name ca)   (resid  2 and name c )  1.0 -127.5 30.0 2
assign (resid  2 and name n )   (resid  2 and name ca)
       (resid  2 and name c )   (resid  3 and name n )  1.0 150.1 30.0 2
assign (resid  2 and name c )   (resid  3 and name n )
       (resid  3 and name ca)   (resid  3 and name c )  1.0 -138.0 30.0 2
assign (resid  3 and name n )   (resid  3 and name ca)
       (resid  3 and name c )   (resid  4 and name n )  1.0 158.6 30.0 2
assign (resid  3 and name c )   (resid  4 and name n )
       (resid  4 and name ca)   (resid  4 and name c )  1.0 -59.6 30.0 2
assign (resid  4 and name n )   (resid  4 and name ca)
       (resid  4 and name c )   (resid  5 and name n )  1.0 137.6 30.0 2
assign (resid  4 and name c )   (resid  5 and name n )
       (resid  5 and name ca)   (resid  5 and name c )  1.0 -79.2 30.0 2
assign (resid  5 and name n )   (resid  5 and name ca)
       (resid  5 and name c )   (resid  6 and name n )  1.0 164.2 30.0 2
assign (resid  5 and name c )   (resid  6 and name n )
       (resid  6 and name ca)   (resid  6 and name c )  1.0 -57.0 30.0 2
assign (resid  6 and name n )   (resid  6 and name ca)
       (resid  6 and name c )   (resid  7 and name n )  1.0 -37.9 30.0 2
assign (resid  6 and name c )   (resid  7 and name n )
       (resid  7 and name ca)   (resid  7 and name c )  1.0 -53.9 30.0 2
assign (resid  7 and name n )   (resid  7 and name ca)
       (resid  7 and name c )   (resid  8 and name n )  1.0 -41.4 30.0 2
assign (resid  7 and name c )   (resid  8 and name n )
       (resid  8 and name ca)   (resid  8 and name c )  1.0 -72.2 30.0 2
assign (resid  8 and name n )   (resid  8 and name ca)
       (resid  8 and name c )   (resid  9 and name n )  1.0 -42.9 30.0 2
assign (resid  8 and name c )   (resid  9 and name n )
       (resid  9 and name ca)   (resid  9 and name c )  1.0 -55.5 30.0 2
assign (resid  9 and name n )   (resid  9 and name ca)
       (resid  9 and name c )   (resid  10 and name n )  1.0 -48.2 30.0 2
assign (resid  9 and name c )   (resid  10 and name n )
       (resid  10 and name ca)   (resid  10 and name c )  1.0 -69.8 30.0 2
assign (resid  10 and name n )   (resid  10 and name ca)
       (resid  10 and name c )   (resid  11 and name n )  1.0 -47.9 30.0 2
assign (resid  10 and name c )   (resid  11 and name n )
       (resid  11 and name ca)   (resid  11 and name c )  1.0 -55.6 30.0 2
assign (resid  11 and name n )   (resid  11 and name ca)
       (resid  11 and name c )   (resid  12 and name n )  1.0 -46.9 30.0 2
assign (resid  11 and name c )   (resid  12 and name n )
       (resid  12 and name ca)   (resid  12 and name c )  1.0 -48.7 30.0 2
assign (resid  12 and name n )   (resid  12 and name ca)
       (resid  12 and name c )   (resid  13 and name n )  1.0 -45.4 30.0 2
assign (resid  12 and name c )   (resid  13 and name n )
       (resid  13 and name ca)   (resid  13 and name c )  1.0 -78.4 30.0 2
assign (resid  13 and name n )   (resid  13 and name ca)
       (resid  13 and name c )   (resid  14 and name n )  1.0 -41.8 30.0 2
assign (resid  13 and name c )   (resid  14 and name n )
       (resid  14 and name ca)   (resid  14 and name c )  1.0 -54.1 30.0 2
assign (resid  14 and name n )   (resid  14 and name ca)
       (resid  14 and name c )   (resid  15 and name n )  1.0 -50.5 30.0 2
assign (resid  14 and name c )   (resid  15 and name n )
       (resid  15 and name ca)   (resid  15 and name c )  1.0 -63.7 30.0 2
assign (resid  15 and name n )   (resid  15 and name ca)
       (resid  15 and name c )   (resid  16 and name n )  1.0 -40.0 30.0 2
assign (resid  15 and name c )   (resid  16 and name n )
       (resid  16 and name ca)   (resid  16 and name c )  1.0 -61.3 30.0 2
assign (resid  16 and name n )   (resid  16 and name ca)
       (resid  16 and name c )   (resid  17 and name n )  1.0 -37.3 30.0 2
assign (resid  16 and name c )   (resid  17 and name n )
       (resid  17 and name ca)   (resid  17 and name c )  1.0 -48.2 30.0 2
assign (resid  17 and name n )   (resid  17 and name ca)
       (resid  17 and name c )   (resid  18 and name n )  1.0 -37.2 30.0 2
assign (resid  17 and name c )   (resid  18 and name n )
       (resid  18 and name ca)   (resid  18 and name c )  1.0 -64.7 30.0 2
assign (resid  18 and name n )   (resid  18 and name ca)
       (resid  18 and name c )   (resid  19 and name n )  1.0 -20.9 30.0 2
assign (resid  18 and name c )   (resid  19 and name n )
       (resid  19 and name ca)   (resid  19 and name c )  1.0 -104.4 30.0 2
assign (resid  19 and name n )   (resid  19 and name ca)
       (resid  19 and name c )   (resid  20 and name n )  1.0 3.0 30.0 2
assign (resid  19 and name c )   (resid  20 and name n )
       (resid  20 and name ca)   (resid  20 and name c )  1.0 -69.6 30.0 2
assign (resid  20 and name n )   (resid  20 and name ca)
       (resid  20 and name c )   (resid  21 and name n )  1.0 -176.6 60.0 2 !modified
assign (resid  20 and name c )   (resid  21 and name n )
       (resid  21 and name ca)   (resid  21 and name c )  1.0 -58.7 50.8 2 !Mg !modified
assign (resid  21 and name n )   (resid  21 and name ca)
       (resid  21 and name c )   (resid  22 and name n )  1.0 -30 72.1 2 !Mg
assign (resid  21 and name c )   (resid  22 and name n )
       (resid  22 and name ca)   (resid  22 and name c )  1.0 -67.8 30.0 2
assign (resid  22 and name n )   (resid  22 and name ca)
       (resid  22 and name c )   (resid  23 and name n )  1.0 -17.0 30.0 2
assign (resid  22 and name c )   (resid  23 and name n )
       (resid  23 and name ca)   (resid  23 and name c )  1.0 124.8 50.0 2 !modified
assign (resid  23 and name n )   (resid  23 and name ca)
       (resid  23 and name c )   (resid  24 and name n )  1.0 32.9 49.4 2 !Mg
assign (resid  23 and name c )   (resid  24 and name n )
       (resid  24 and name ca)   (resid  24 and name c )  1.0 -92.9 45.0 2 !Mg
assign (resid  24 and name n )   (resid  24 and name ca)
       (resid  24 and name c )   (resid  25 and name n )  1.0 -3.5 25.8 2 !Mg
assign (resid  24 and name c )   (resid  25 and name n )
       (resid  25 and name ca)   (resid  25 and name c )  1.0 85.2 35.3 2 !Mg
assign (resid  25 and name n )   (resid  25 and name ca)
       (resid  25 and name c )   (resid  26 and name n )  1.0 8.4 67.2 2 !Mg !modified
assign (resid  25 and name c )   (resid  26 and name n )
       (resid  26 and name ca)   (resid  26 and name c )  1.0 -139.8 87.7 2 !Mg
assign (resid  26 and name n )   (resid  26 and name ca)
       (resid  26 and name c )   (resid  27 and name n )  1.0 161.1 30.0 2
assign (resid  26 and name c )   (resid  27 and name n )
       (resid  27 and name ca)   (resid  27 and name c )  1.0 -132.0 30.0 2
assign (resid  27 and name n )   (resid  27 and name ca)
       (resid  27 and name c )   (resid  28 and name n )  1.0 155.2 52.4 2 !Mg
assign (resid  27 and name c )   (resid  28 and name n )
       (resid  28 and name ca)   (resid  28 and name c )  1.0 -88.4 30.0 2
assign (resid  28 and name n )   (resid  28 and name ca)
       (resid  28 and name c )   (resid  29 and name n )  1.0 175.5 30.0 2
assign (resid  28 and name c )   (resid  29 and name n )
       (resid  29 and name ca)   (resid  29 and name c )  1.0 -66.8 30.0 2
assign (resid  29 and name n )   (resid  29 and name ca)
       (resid  29 and name c )   (resid  30 and name n )  1.0 -37.0 30.0 2
assign (resid  29 and name c )   (resid  30 and name n )
       (resid  30 and name ca)   (resid  30 and name c )  1.0 -59.4 30.0 2
assign (resid  30 and name n )   (resid  30 and name ca)
       (resid  30 and name c )   (resid  31 and name n )  1.0 -47.4 30.0 2
assign (resid  30 and name c )   (resid  31 and name n )
       (resid  31 and name ca)   (resid  31 and name c )  1.0 -58.3 30.0 2
assign (resid  31 and name n )   (resid  31 and name ca)
       (resid  31 and name c )   (resid  32 and name n )  1.0 -44.9 30.0 2
assign (resid  31 and name c )   (resid  32 and name n )
       (resid  32 and name ca)   (resid  32 and name c )  1.0 -52.7 30.0 2
assign (resid  32 and name n )   (resid  32 and name ca)
       (resid  32 and name c )   (resid  33 and name n )  1.0 -45.1 30.0 2
assign (resid  32 and name c )   (resid  33 and name n )
       (resid  33 and name ca)   (resid  33 and name c )  1.0 -54.9 30.0 2
assign (resid  33 and name n )   (resid  33 and name ca)
       (resid  33 and name c )   (resid  34 and name n )  1.0 -31.0 30.0 2
assign (resid  33 and name c )   (resid  34 and name n )
       (resid  34 and name ca)   (resid  34 and name c )  1.0 -84.8 30.0 2
assign (resid  34 and name n )   (resid  34 and name ca)
       (resid  34 and name c )   (resid  35 and name n )  1.0 -43.0 30.0 2
assign (resid  34 and name c )   (resid  35 and name n )
       (resid  35 and name ca)   (resid  35 and name c )  1.0 -55.0 30.0 2
assign (resid  35 and name n )   (resid  35 and name ca)
       (resid  35 and name c )   (resid  36 and name n )  1.0 -43.8 30.0 2
assign (resid  35 and name c )   (resid  36 and name n )
       (resid  36 and name ca)   (resid  36 and name c )  1.0 -67.8 30.0 2
assign (resid  36 and name n )   (resid  36 and name ca)
       (resid  36 and name c )   (resid  37 and name n )  1.0 -16.0 30.0 2
assign (resid  36 and name c )   (resid  37 and name n )
       (resid  37 and name ca)   (resid  37 and name c )  1.0 -63.4 29.2 2 !Mg
assign (resid  37 and name n )   (resid  37 and name ca)
       (resid  37 and name c )   (resid  38 and name n )  1.0 -29.4 30.0 2
assign (resid  37 and name c )   (resid  38 and name n )
       (resid  38 and name ca)   (resid  38 and name c )  1.0 -77.3 30.0 2
assign (resid  38 and name n )   (resid  38 and name ca)
       (resid  38 and name c )   (resid  39 and name n )  1.0 -18.1 30.0 2
assign (resid  38 and name c )   (resid  39 and name n )
       (resid  39 and name ca)   (resid  39 and name c )  1.0 -87.5 30.0 2
assign (resid  39 and name n )   (resid  39 and name ca)
       (resid  39 and name c )   (resid  40 and name n )  1.0 60.7 30.0 2
assign (resid  39 and name c )   (resid  40 and name n )
       (resid  40 and name ca)   (resid  40 and name c )  1.0 45.9 30.0 2
assign (resid  40 and name n )   (resid  40 and name ca)
       (resid  40 and name c )   (resid  41 and name n )  1.0 39.0 30.0 2
assign (resid  40 and name c )   (resid  41 and name n )
       (resid  41 and name ca)   (resid  41 and name c )  1.0 -135.9 30.0 2
assign (resid  41 and name n )   (resid  41 and name ca)
       (resid  41 and name c )   (resid  42 and name n )  1.0 135.4 30.0 2
assign (resid  41 and name c )   (resid  42 and name n )
       (resid  42 and name ca)   (resid  42 and name c )  1.0 -83.7 95.9 2 !Mg
assign (resid  42 and name n )   (resid  42 and name ca)
       (resid  42 and name c )   (resid  43 and name n )  1.0 135.4 102.8 2 !Mg
assign (resid  43 and name n )   (resid  43 and name ca)
       (resid  43 and name c )   (resid  44 and name n )  1.0 164.7 30.0 2
assign (resid  43 and name c )   (resid  44 and name n )
       (resid  44 and name ca)   (resid  44 and name c )  1.0 -84.2 30.0 2
assign (resid  44 and name n )   (resid  44 and name ca)
       (resid  44 and name c )   (resid  45 and name n )  1.0 162.2 30.0 2
assign (resid  44 and name c )   (resid  45 and name n )
       (resid  45 and name ca)   (resid  45 and name c )  1.0 -60.6 30.0 2
assign (resid  45 and name n )   (resid  45 and name ca)
       (resid  45 and name c )   (resid  46 and name n )  1.0 -30.6 30.0 2
assign (resid  45 and name c )   (resid  46 and name n )
       (resid  46 and name ca)   (resid  46 and name c )  1.0 -63.8 30.0 2
assign (resid  46 and name n )   (resid  46 and name ca)
       (resid  46 and name c )   (resid  47 and name n )  1.0 -48.0 30.0 2
assign (resid  46 and name c )   (resid  47 and name n )
       (resid  47 and name ca)   (resid  47 and name c )  1.0 -47.9 30.0 2
assign (resid  47 and name n )   (resid  47 and name ca)
       (resid  47 and name c )   (resid  48 and name n )  1.0 -33.5 30.0 2
assign (resid  47 and name c )   (resid  48 and name n )
       (resid  48 and name ca)   (resid  48 and name c )  1.0 -64.0 30.0 2
assign (resid  48 and name n )   (resid  48 and name ca)
       (resid  48 and name c )   (resid  49 and name n )  1.0 -33.9 30.0 2
assign (resid  48 and name c )   (resid  49 and name n )
       (resid  49 and name ca)   (resid  49 and name c )  1.0 -65.9 30.0 2
assign (resid  49 and name n )   (resid  49 and name ca)
       (resid  49 and name c )   (resid  50 and name n )  1.0 -50.9 30.0 2
assign (resid  49 and name c )   (resid  50 and name n )
       (resid  50 and name ca)   (resid  50 and name c )  1.0 -58.6 30.0 2
assign (resid  50 and name n )   (resid  50 and name ca)
       (resid  50 and name c )   (resid  51 and name n )  1.0 -47.7 30.0 2
assign (resid  50 and name c )   (resid  51 and name n )
       (resid  51 and name ca)   (resid  51 and name c )  1.0 -55.9 30.0 2
assign (resid  51 and name n )   (resid  51 and name ca)
       (resid  51 and name c )   (resid  52 and name n )  1.0 -23.3 30.0 2
assign (resid  51 and name c )   (resid  52 and name n )
       (resid  52 and name ca)   (resid  52 and name c )  1.0 -84.7 30.0 2
assign (resid  52 and name n )   (resid  52 and name ca)
       (resid  52 and name c )   (resid  53 and name n )  1.0 -35.5 30.0 2
assign (resid  52 and name c )   (resid  53 and name n )
       (resid  53 and name ca)   (resid  53 and name c )  1.0 -49.9 30.0 2
assign (resid  53 and name n )   (resid  53 and name ca)
       (resid  53 and name c )   (resid  54 and name n )  1.0 -58.7 30.0 2
assign (resid  53 and name c )   (resid  54 and name n )
       (resid  54 and name ca)   (resid  54 and name c )  1.0 -82.8 30.0 2
assign (resid  54 and name n )   (resid  54 and name ca)
       (resid  54 and name c )   (resid  55 and name n )  1.0 31.2 30.0 2
assign (resid  54 and name c )   (resid  55 and name n )
       (resid  55 and name ca)   (resid  55 and name c )  1.0 -95.2 56.2 2 !Mg
assign (resid  55 and name n )   (resid  55 and name ca)
       (resid  55 and name c )   (resid  56 and name n )  1.0 -10.4 63.1 2 !Mg
assign (resid  55 and name c )   (resid  56 and name n )
       (resid  56 and name ca)   (resid  56 and name c )  1.0 -81.7 30.0 2
assign (resid  56 and name n )   (resid  56 and name ca)
       (resid  56 and name c )   (resid  57 and name n )  1.0 75.7 50.0 2 !modified
assign (resid  56 and name c )   (resid  57 and name n )
       (resid  57 and name ca)   (resid  57 and name c )  1.0 -95.6 30.0 2
assign (resid  57 and name n )   (resid  57 and name ca)
       (resid  57 and name c )   (resid  58 and name n )  1.0 -25.1 61.3 2 !Mg
assign (resid  57 and name c )   (resid  58 and name n )
       (resid  58 and name ca)   (resid  58 and name c )  1.0 -85.4 37.6 2 !Mg
assign (resid  58 and name n )   (resid  58 and name ca)
       (resid  58 and name c )   (resid  59 and name n )  1.0 4.5 51.3 2 !Mg
assign (resid  58 and name c )   (resid  59 and name n )
       (resid  59 and name ca)   (resid  59 and name c )  1.0 86.2 62.2 2 !Mg
assign (resid  59 and name n )   (resid  59 and name ca)
       (resid  59 and name c )   (resid  60 and name n )  1.0 -6.4 30.0 2
assign (resid  59 and name c )   (resid  60 and name n )
       (resid  60 and name ca)   (resid  60 and name c )  1.0 -63.5 30.0 2
assign (resid  60 and name n )   (resid  60 and name ca)
       (resid  60 and name c )   (resid  61 and name n )  1.0 -34.5 30.0 2
assign (resid  60 and name c )   (resid  61 and name n )
       (resid  61 and name ca)   (resid  61 and name c )  1.0 67.5 30.0 2
assign (resid  61 and name n )   (resid  61 and name ca)
       (resid  61 and name c )   (resid  62 and name n )  1.0 21.2 30.0 2
assign (resid  61 and name c )   (resid  62 and name n )
       (resid  62 and name ca)   (resid  62 and name c )  1.0 -123.4 30.0 2
assign (resid  62 and name n )   (resid  62 and name ca)
       (resid  62 and name c )   (resid  63 and name n )  1.0 116.9 50.0 2 !modified
assign (resid  62 and name c )   (resid  63 and name n )
       (resid  63 and name ca)   (resid  63 and name c )  1.0 -103.1 50.0 2 !modified
assign (resid  63 and name n )   (resid  63 and name ca)
       (resid  63 and name c )   (resid  64 and name n )  1.0 143.9 30.0 2
assign (resid  63 and name c )   (resid  64 and name n )
       (resid  64 and name ca)   (resid  64 and name c )  1.0 -62.8 40.0 2 !Mg
assign (resid  64 and name n )   (resid  64 and name ca)
       (resid  64 and name c )   (resid  65 and name n )  1.0 -41.5 29.5 2 !Mg
assign (resid  64 and name c )   (resid  65 and name n )
       (resid  65 and name ca)   (resid  65 and name c )  1.0 -82.8 30.0 2
assign (resid  65 and name n )   (resid  65 and name ca)
       (resid  65 and name c )   (resid  66 and name n )  1.0 -55.6 30.0 2
assign (resid  65 and name c )   (resid  66 and name n )
       (resid  66 and name ca)   (resid  66 and name c )  1.0 -50.2 30.0 2
assign (resid  66 and name n )   (resid  66 and name ca)
       (resid  66 and name c )   (resid  67 and name n )  1.0 -47.8 30.0 2
assign (resid  66 and name c )   (resid  67 and name n )
       (resid  67 and name ca)   (resid  67 and name c )  1.0 -51.9 30.0 2
assign (resid  67 and name n )   (resid  67 and name ca)
       (resid  67 and name c )   (resid  68 and name n )  1.0 -41.6 30.0 2
assign (resid  67 and name c )   (resid  68 and name n )
       (resid  68 and name ca)   (resid  68 and name c )  1.0 -64.6 30.0 2
assign (resid  68 and name n )   (resid  68 and name ca)
       (resid  68 and name c )   (resid  69 and name n )  1.0 -42.3 30.0 2
assign (resid  68 and name c )   (resid  69 and name n )
       (resid  69 and name ca)   (resid  69 and name c )  1.0 -62.4 30.0 2
assign (resid  69 and name n )   (resid  69 and name ca)
       (resid  69 and name c )   (resid  70 and name n )  1.0 -47.5 30.0 2
assign (resid  69 and name c )   (resid  70 and name n )
       (resid  70 and name ca)   (resid  70 and name c )  1.0 -65.2 30.0 2
assign (resid  70 and name n )   (resid  70 and name ca)
       (resid  70 and name c )   (resid  71 and name n )  1.0 -35.7 30.0 2
assign (resid  70 and name c )   (resid  71 and name n )
       (resid  71 and name ca)   (resid  71 and name c )  1.0 -74.5 30.0 2
assign (resid  71 and name n )   (resid  71 and name ca)
       (resid  71 and name c )   (resid  72 and name n )  1.0 -46.0 30.0 2
assign (resid  71 and name c )   (resid  72 and name n )
       (resid  72 and name ca)   (resid  72 and name c )  1.0 -55.9 30.0 2
assign (resid  72 and name n )   (resid  72 and name ca)
       (resid  72 and name c )   (resid  73 and name n )  1.0 -45.8 30.0 2
assign (resid  72 and name c )   (resid  73 and name n )
       (resid  73 and name ca)   (resid  73 and name c )  1.0 -68.5 30.0 2
assign (resid  73 and name n )   (resid  73 and name ca)
       (resid  73 and name c )   (resid  74 and name n )  1.0 -38.2 42.1 2 !Mg
assign (resid  73 and name c )   (resid  74 and name n )
       (resid  74 and name ca)   (resid  74 and name c )  1.0 -147.1 50.0 2 !modified
assign (resid  74 and name n )   (resid  74 and name ca)
       (resid  74 and name c )   (resid  75 and name n )  1.0 -44.0 30.0 2
assign (resid  74 and name c )   (resid  75 and name n )
       (resid  75 and name ca)   (resid  75 and name c )  1.0 -64.5 49.1 2 !Mg
assign (resid  75 and name n )   (resid  75 and name ca)
       (resid  75 and name c )   (resid  76 and name n )  1.0 -44.6 50.0 2 !modified
assign (resid  75 and name c )   (resid  76 and name n )
       (resid  76 and name ca)   (resid  76 and name c )  1.0 -70 64.1 2 !Mg (modified)
end
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1HT      ALA   1  -0.889  18.005   1.803
    2    H2   ALA   1           2HT      ALA   1  -0.843  16.337   1.487
    3    H3   ALA   1           3HT      ALA   1  -2.333  17.149   1.560
    4    HA   ALA   1           HA       ALA   1  -1.836  16.771  -0.721
    5    HB1  ALA   1           2HB      ALA   1  -2.869  18.921  -0.230
    6    HB2  ALA   1           3HB      ALA   1  -1.679  19.137  -1.514
    7    HB3  ALA   1           1HB      ALA   1  -1.295  19.629   0.133
    8    H    ASP   2           H        ASP   2  -0.102  15.598  -1.383
    9    HA   ASP   2           HA       ASP   2   2.285  17.039  -2.146
   10    HB2  ASP   2           2HB      ASP   2   2.672  16.376   0.268
   11    HB3  ASP   2           1HB      ASP   2   2.604  14.697  -0.263
   12    H    ILE   3           H        ILE   3   3.946  15.208  -2.965
   13    HA   ILE   3           HA       ILE   3   2.430  13.121  -4.416
   14    HB   ILE   3           HB       ILE   3   4.432  15.051  -5.621
   15   HG12  ILE   3          2HG1      ILE   3   1.529  14.546  -6.336
   16   HG13  ILE   3          1HG1      ILE   3   2.052  15.852  -5.274
   17   HG21  ILE   3          1HG2      ILE   3   4.824  12.902  -6.605
   18   HG22  ILE   3          2HG2      ILE   3   3.800  13.776  -7.744
   19   HG23  ILE   3          3HG2      ILE   3   3.098  12.552  -6.688
   20   HD11  ILE   3          3HD       ILE   3   3.514  16.714  -7.090
   21   HD12  ILE   3          1HD       ILE   3   1.813  16.697  -7.557
   22   HD13  ILE   3          2HD       ILE   3   2.904  15.447  -8.156
   23    H    LEU   4           H        LEU   4   3.640  11.298  -4.993
   24    HA   LEU   4           HA       LEU   4   5.580  10.441  -3.165
   25    HB2  LEU   4           2HB      LEU   4   5.198   9.411  -5.979
   26    HB3  LEU   4           1HB      LEU   4   5.856   8.529  -4.600
   27    HG   LEU   4           HG       LEU   4   3.024   9.592  -4.839
   28   HD11  LEU   4          1HD1      LEU   4   4.249   6.840  -5.078
   29   HD12  LEU   4          2HD1      LEU   4   3.222   7.681  -6.238
   30   HD13  LEU   4          3HD1      LEU   4   2.536   7.077  -4.732
   31   HD21  LEU   4          3HD2      LEU   4   4.553   8.244  -2.610
   32   HD22  LEU   4          1HD2      LEU   4   2.806   8.039  -2.742
   33   HD23  LEU   4          2HD2      LEU   4   3.487   9.649  -2.530
   34    H    SER   5           H        SER   5   7.815   9.858  -3.593
   35    HA   SER   5           HA       SER   5   9.227  12.005  -5.015
   36    HB2  SER   5           2HB      SER   5  10.370  11.823  -3.045
   37    HB3  SER   5           1HB      SER   5   9.794  10.187  -2.758
   38    HG   SER   5           HG       SER   5  12.114  11.061  -3.891
   39    H    GLU   6           H        GLU   6  10.103  11.701  -6.973
   40    HA   GLU   6           HA       GLU   6   9.753   9.658  -8.677
   41    HB2  GLU   6           2HB      GLU   6  10.898  11.783  -9.234
   42    HB3  GLU   6           1HB      GLU   6  12.356  11.180  -8.444
   43    HG2  GLU   6           2HG      GLU   6  12.460   9.299 -10.016
   44    HG3  GLU   6           1HG      GLU   6  10.965   9.837 -10.781
   45    H    GLU   7           H        GLU   7  12.943   9.900  -7.126
   46    HA   GLU   7           HA       GLU   7  13.850   7.360  -7.665
   47    HB2  GLU   7           2HB      GLU   7  14.325   9.077  -5.219
   48    HB3  GLU   7           1HB      GLU   7  15.250   7.623  -5.592
   49    HG2  GLU   7           2HG      GLU   7  15.974   8.599  -7.720
   50    HG3  GLU   7           1HG      GLU   7  14.995  10.034  -7.413
   51    H    GLN   8           H        GLN   8  11.509   8.344  -5.257
   52    HA   GLN   8           HA       GLN   8  11.577   5.829  -3.828
   53    HB2  GLN   8           2HB      GLN   8  10.885   8.115  -2.871
   54    HB3  GLN   8           1HB      GLN   8   9.353   7.865  -3.703
   55    HG2  GLN   8           2HG      GLN   8   9.045   5.730  -2.513
   56    HG3  GLN   8           1HG      GLN   8  10.572   5.984  -1.668
   57   HE21  GLN   8          1HE2      GLN   8   7.989   5.790  -0.319
   58   HE22  GLN   8          2HE2      GLN   8   7.696   7.291   0.416
   59    H    ILE   9           H        ILE   9   9.908   7.147  -6.586
   60    HA   ILE   9           HA       ILE   9   7.693   5.349  -6.557
   61    HB   ILE   9           HB       ILE   9   8.199   7.600  -7.978
   62   HG12  ILE   9          2HG1      ILE   9   6.327   6.884  -9.518
   63   HG13  ILE   9          1HG1      ILE   9   6.446   5.274  -8.818
   64   HG21  ILE   9          1HG2      ILE   9   8.715   7.207 -10.259
   65   HG22  ILE   9          2HG2      ILE   9   8.558   5.461 -10.084
   66   HG23  ILE   9          3HG2      ILE   9   9.930   6.296  -9.371
   67   HD11  ILE   9          3HD       ILE   9   6.196   7.474  -6.838
   68   HD12  ILE   9          1HD       ILE   9   5.406   5.898  -6.891
   69   HD13  ILE   9          2HD       ILE   9   4.797   7.226  -7.876
   70    H    VAL  10           H        VAL  10  10.944   5.247  -7.886
   71    HA   VAL  10           HA       VAL  10  10.517   2.812  -9.349
   72    HB   VAL  10           HB       VAL  10  13.103   4.133  -8.502
   73   HG11  VAL  10          1HG1      VAL  10  12.440   1.867 -10.392
   74   HG12  VAL  10          2HG1      VAL  10  13.574   1.858  -9.041
   75   HG13  VAL  10          3HG1      VAL  10  13.949   2.773 -10.500
   76   HG21  VAL  10          3HG2      VAL  10  12.963   4.685 -11.097
   77   HG22  VAL  10          1HG2      VAL  10  12.116   5.699  -9.931
   78   HG23  VAL  10          2HG2      VAL  10  11.232   4.475 -10.842
   79    H    ASP  11           H        ASP  11  12.047   3.643  -6.258
   80    HA   ASP  11           HA       ASP  11  13.027   1.133  -5.539
   81    HB2  ASP  11           2HB      ASP  11  13.514   3.159  -4.269
   82    HB3  ASP  11           1HB      ASP  11  11.828   3.265  -3.764
   83    H    PHE  12           H        PHE  12   9.827   2.547  -4.824
   84    HA   PHE  12           HA       PHE  12   8.833   0.228  -3.530
   85    HB2  PHE  12           2HB      PHE  12   7.562   2.698  -4.700
   86    HB3  PHE  12           1HB      PHE  12   6.547   1.370  -4.142
   87    HD1  PHE  12           1HD      PHE  12   9.629   3.161  -2.934
   88    HD2  PHE  12           2HD      PHE  12   5.738   1.616  -1.965
   89    HE1  PHE  12           1HE      PHE  12   9.892   3.957  -0.602
   90    HE2  PHE  12           2HE      PHE  12   6.003   2.414   0.366
   91    HZ   PHE  12           HZ       PHE  12   8.079   3.584   1.048
   92    H    LYS  13           H        LYS  13   8.546   1.428  -6.871
   93    HA   LYS  13           HA       LYS  13   6.797  -0.510  -7.848
   94    HB2  LYS  13           2HB      LYS  13   7.529   1.505  -9.096
   95    HB3  LYS  13           1HB      LYS  13   9.117   0.770  -9.311
   96    HG2  LYS  13           2HG      LYS  13   8.135  -1.094 -10.540
   97    HG3  LYS  13           1HG      LYS  13   6.513  -0.461 -10.251
   98    HD2  LYS  13           2HD      LYS  13   7.099   1.593 -11.498
   99    HD3  LYS  13           1HD      LYS  13   8.705   0.934 -11.814
  100    HE2  LYS  13           2HE      LYS  13   6.086  -0.315 -12.694
  101    HE3  LYS  13           1HE      LYS  13   7.209   0.556 -13.738
  102    HZ1  LYS  13           3HZ      LYS  13   7.911  -1.570 -14.066
  103    HZ2  LYS  13           1HZ      LYS  13   7.478  -2.089 -12.511
  104    HZ3  LYS  13           2HZ      LYS  13   8.886  -1.167 -12.736
  105    H    GLU  14           H        GLU  14  10.334  -0.574  -7.533
  106    HA   GLU  14           HA       GLU  14  10.814  -3.010  -8.826
  107    HB2  GLU  14           2HB      GLU  14  12.534  -1.326  -8.045
  108    HB3  GLU  14           1HB      GLU  14  12.329  -1.985  -6.421
  109    HG2  GLU  14           2HG      GLU  14  14.192  -3.140  -7.397
  110    HG3  GLU  14           1HG      GLU  14  12.838  -4.269  -7.403
  111    H    ALA  15           H        ALA  15  10.127  -2.310  -5.408
  112    HA   ALA  15           HA       ALA  15  10.248  -5.025  -4.538
  113    HB1  ALA  15           1HB      ALA  15   9.115  -4.175  -2.509
  114    HB2  ALA  15           2HB      ALA  15   8.867  -2.625  -3.317
  115    HB3  ALA  15           3HB      ALA  15  10.502  -3.185  -2.963
  116    H    PHE  16           H        PHE  16   7.743  -2.984  -5.899
  117    HA   PHE  16           HA       PHE  16   5.512  -4.613  -5.197
  118    HB2  PHE  16           2HB      PHE  16   5.423  -2.192  -5.909
  119    HB3  PHE  16           1HB      PHE  16   5.722  -2.740  -7.558
  120    HD1  PHE  16           1HD      PHE  16   4.118  -4.424  -8.601
  121    HD2  PHE  16           2HD      PHE  16   3.250  -2.319  -4.958
  122    HE1  PHE  16           1HE      PHE  16   1.710  -4.953  -8.868
  123    HE2  PHE  16           2HE      PHE  16   0.844  -2.849  -5.228
  124    HZ   PHE  16           HZ       PHE  16   0.073  -4.167  -7.179
  125    H    GLY  17           H        GLY  17   7.416  -4.288  -8.192
  126    HA2  GLY  17           2HA      GLY  17   6.018  -6.279  -9.645
  127    HA3  GLY  17           1HA      GLY  17   7.625  -5.666 -10.024
  128    H    LEU  18           H        LEU  18   8.677  -6.417  -7.348
  129    HA   LEU  18           HA       LEU  18   9.472  -9.091  -8.011
  130    HB2  LEU  18           2HB      LEU  18   9.975  -7.295  -5.638
  131    HB3  LEU  18           1HB      LEU  18  10.600  -8.939  -5.717
  132    HG   LEU  18           HG       LEU  18  11.090  -6.945  -7.942
  133   HD11  LEU  18          1HD1      LEU  18  13.300  -6.511  -6.861
  134   HD12  LEU  18          2HD1      LEU  18  12.752  -7.417  -5.451
  135   HD13  LEU  18          3HD1      LEU  18  11.944  -5.918  -5.903
  136   HD21  LEU  18          3HD2      LEU  18  13.207  -8.469  -8.093
  137   HD22  LEU  18          1HD2      LEU  18  11.678  -9.121  -8.672
  138   HD23  LEU  18          2HD2      LEU  18  12.294  -9.589  -7.088
  139    H    PHE  19           H        PHE  19   7.322  -7.640  -5.606
  140    HA   PHE  19           HA       PHE  19   6.636 -10.267  -4.514
  141    HB2  PHE  19           2HB      PHE  19   6.869  -8.093  -3.140
  142    HB3  PHE  19           1HB      PHE  19   5.313  -7.637  -3.831
  143    HD1  PHE  19           1HD      PHE  19   6.997 -10.505  -2.111
  144    HD2  PHE  19           2HD      PHE  19   3.343  -8.340  -2.758
  145    HE1  PHE  19           1HE      PHE  19   5.855 -11.932  -0.436
  146    HE2  PHE  19           2HE      PHE  19   2.202  -9.768  -1.082
  147    HZ   PHE  19           HZ       PHE  19   3.457 -11.564   0.079
  148    H    ASP  20           H        ASP  20   5.582  -8.216  -7.017
  149    HA   ASP  20           HA       ASP  20   2.966  -9.617  -7.135
  150    HB2  ASP  20           2HB      ASP  20   2.975  -7.080  -6.945
  151    HB3  ASP  20           1HB      ASP  20   3.689  -7.054  -8.557
  152    H    LYS  21           H        LYS  21   3.419 -11.402  -8.377
  153    HA   LYS  21           HA       LYS  21   4.827 -10.985 -10.952
  154    HB2  LYS  21           2HB      LYS  21   4.397 -13.482  -9.298
  155    HB3  LYS  21           1HB      LYS  21   5.135 -13.461 -10.900
  156    HG2  LYS  21           2HG      LYS  21   6.970 -12.131 -10.144
  157    HG3  LYS  21           1HG      LYS  21   6.167 -11.766  -8.618
  158    HD2  LYS  21           2HD      LYS  21   7.863 -13.476  -8.237
  159    HD3  LYS  21           1HD      LYS  21   6.266 -14.191  -8.032
  160    HE2  LYS  21           2HE      LYS  21   6.363 -15.293 -10.128
  161    HE3  LYS  21           1HE      LYS  21   7.710 -14.295 -10.682
  162    HZ1  LYS  21           3HZ      LYS  21   9.025 -15.301  -8.830
  163    HZ2  LYS  21           1HZ      LYS  21   8.596 -16.380 -10.067
  164    HZ3  LYS  21           2HZ      LYS  21   7.749 -16.397  -8.593
  165    H    ASP  22           H        ASP  22   1.911 -12.183  -9.417
  166    HA   ASP  22           HA       ASP  22   0.657 -13.621 -11.364
  167    HB2  ASP  22           2HB      ASP  22  -1.490 -12.677 -10.502
  168    HB3  ASP  22           1HB      ASP  22  -0.402 -13.222  -9.226
  169    H    GLY  23           H        GLY  23   1.686 -10.390 -11.586
  170    HA2  GLY  23           2HA      GLY  23   1.629  -8.880 -13.325
  171    HA3  GLY  23           1HA      GLY  23   0.898 -10.141 -14.311
  172    H    ASP  24           H        ASP  24  -1.095 -10.190 -11.838
  173    HA   ASP  24           HA       ASP  24  -3.282  -9.017 -13.063
  174    HB2  ASP  24           2HB      ASP  24  -4.394  -9.136 -10.932
  175    HB3  ASP  24           1HB      ASP  24  -3.332 -10.536 -11.063
  176    H    GLY  25           H        GLY  25  -0.587  -7.464 -11.768
  177    HA2  GLY  25           2HA      GLY  25  -0.065  -5.210 -11.723
  178    HA3  GLY  25           1HA      GLY  25  -1.688  -4.863 -12.314
  179    H    CYS  26           H        CYS  26  -3.470  -5.240 -10.657
  180    HA   CYS  26           HA       CYS  26  -2.914  -3.648  -8.359
  181    HB2  CYS  26           2HB      CYS  26  -5.318  -5.233  -9.258
  182    HB3  CYS  26           1HB      CYS  26  -5.294  -4.352  -7.730
  183    HG   CYS  26           HG       CYS  26  -4.887  -2.135  -9.100
  184    H    ILE  27           H        ILE  27  -3.636  -4.407  -6.124
  185    HA   ILE  27           HA       ILE  27  -2.936  -7.218  -5.608
  186    HB   ILE  27           HB       ILE  27  -1.609  -6.311  -3.589
  187   HG12  ILE  27          2HG1      ILE  27  -1.337  -3.847  -5.316
  188   HG13  ILE  27          1HG1      ILE  27  -2.578  -3.942  -4.070
  189   HG21  ILE  27          1HG2      ILE  27  -0.755  -6.251  -6.472
  190   HG22  ILE  27          2HG2      ILE  27  -0.223  -7.316  -5.170
  191   HG23  ILE  27          3HG2      ILE  27   0.373  -5.664  -5.249
  192   HD11  ILE  27          3HD       ILE  27  -0.448  -2.885  -3.274
  193   HD12  ILE  27          1HD       ILE  27   0.368  -4.423  -3.561
  194   HD13  ILE  27          2HD       ILE  27  -0.911  -4.317  -2.355
  195    H    THR  28           H        THR  28  -3.483  -7.852  -3.353
  196    HA   THR  28           HA       THR  28  -6.113  -6.833  -2.648
  197    HB   THR  28           HB       THR  28  -6.229  -8.759  -1.187
  198    HG1  THR  28           1HG      THR  28  -3.643  -8.457  -1.087
  199   HG21  THR  28          3HG2      THR  28  -6.033 -10.502  -2.842
  200   HG22  THR  28          1HG2      THR  28  -4.843  -9.571  -3.752
  201   HG23  THR  28          2HG2      THR  28  -6.519  -9.028  -3.679
  202    H    VAL  29           H        VAL  29  -6.282  -7.167   0.011
  203    HA   VAL  29           HA       VAL  29  -4.867  -4.861   1.008
  204    HB   VAL  29           HB       VAL  29  -6.767  -6.773   2.388
  205   HG11  VAL  29          1HG1      VAL  29  -6.978  -4.816   3.993
  206   HG12  VAL  29          2HG1      VAL  29  -5.549  -4.126   3.219
  207   HG13  VAL  29          3HG1      VAL  29  -5.436  -5.673   4.061
  208   HG21  VAL  29          3HG2      VAL  29  -8.435  -5.056   1.985
  209   HG22  VAL  29          1HG2      VAL  29  -7.673  -5.452   0.444
  210   HG23  VAL  29          2HG2      VAL  29  -7.219  -3.979   1.299
  211    H    GLU  30           H        GLU  30  -4.784  -8.362   1.470
  212    HA   GLU  30           HA       GLU  30  -3.032  -8.417   3.689
  213    HB2  GLU  30           2HB      GLU  30  -3.553 -10.447   1.508
  214    HB3  GLU  30           1HB      GLU  30  -2.581 -10.772   2.945
  215    HG2  GLU  30           2HG      GLU  30  -4.483 -10.289   4.391
  216    HG3  GLU  30           1HG      GLU  30  -5.463  -9.836   2.996
  217    H    GLU  31           H        GLU  31  -2.390  -8.764   0.193
  218    HA   GLU  31           HA       GLU  31   0.302  -9.204   0.168
  219    HB2  GLU  31           2HB      GLU  31  -1.424  -7.479  -1.598
  220    HB3  GLU  31           1HB      GLU  31   0.308  -7.608  -1.901
  221    HG2  GLU  31           2HG      GLU  31   0.136 -10.015  -2.166
  222    HG3  GLU  31           1HG      GLU  31  -1.560  -9.988  -1.686
  223    H    LEU  32           H        LEU  32  -1.051  -5.865   0.108
  224    HA   LEU  32           HA       LEU  32   1.415  -4.637   0.603
  225    HB2  LEU  32           2HB      LEU  32  -1.004  -3.721  -0.112
  226    HB3  LEU  32           1HB      LEU  32  -1.109  -3.365   1.603
  227    HG   LEU  32           HG       LEU  32  -0.236  -1.420   0.458
  228   HD11  LEU  32          1HD1      LEU  32   0.778  -2.291   2.697
  229   HD12  LEU  32          2HD1      LEU  32   1.606  -0.993   1.838
  230   HD13  LEU  32          3HD1      LEU  32   2.205  -2.648   1.725
  231   HD21  LEU  32          3HD2      LEU  32   1.279  -1.469  -1.247
  232   HD22  LEU  32          1HD2      LEU  32   0.913  -3.187  -1.337
  233   HD23  LEU  32          2HD2      LEU  32   2.320  -2.636  -0.436
  234    H    ALA  33           H        ALA  33  -1.094  -5.807   2.825
  235    HA   ALA  33           HA       ALA  33  -0.336  -4.721   5.208
  236    HB1  ALA  33           1HB      ALA  33  -2.146  -6.504   4.698
  237    HB2  ALA  33           2HB      ALA  33  -1.383  -6.522   6.287
  238    HB3  ALA  33           3HB      ALA  33  -0.879  -7.678   5.053
  239    H    THR  34           H        THR  34   0.882  -7.939   4.197
  240    HA   THR  34           HA       THR  34   2.928  -8.189   6.026
  241    HB   THR  34           HB       THR  34   3.115  -9.081   3.148
  242    HG1  THR  34           1HG      THR  34   1.110  -9.655   4.063
  243   HG21  THR  34          3HG2      THR  34   4.143 -10.283   5.733
  244   HG22  THR  34          1HG2      THR  34   5.124  -9.356   4.596
  245   HG23  THR  34          2HG2      THR  34   4.429 -10.902   4.105
  246    H    VAL  35           H        VAL  35   3.165  -6.789   2.742
  247    HA   VAL  35           HA       VAL  35   5.849  -6.118   2.735
  248    HB   VAL  35           HB       VAL  35   3.518  -4.592   1.563
  249   HG11  VAL  35          1HG1      VAL  35   5.359  -3.773  -0.021
  250   HG12  VAL  35          2HG1      VAL  35   6.507  -4.332   1.197
  251   HG13  VAL  35          3HG1      VAL  35   5.345  -3.066   1.594
  252   HG21  VAL  35          3HG2      VAL  35   3.934  -7.019   0.881
  253   HG22  VAL  35          1HG2      VAL  35   5.476  -6.472   0.222
  254   HG23  VAL  35          2HG2      VAL  35   3.964  -5.844  -0.433
  255    H    ILE  36           H        ILE  36   3.199  -4.561   4.409
  256    HA   ILE  36           HA       ILE  36   4.591  -2.144   5.086
  257    HB   ILE  36           HB       ILE  36   1.949  -3.036   5.299
  258   HG12  ILE  36          2HG1      ILE  36   1.642  -0.777   6.554
  259   HG13  ILE  36          1HG1      ILE  36   3.385  -0.601   6.363
  260   HG21  ILE  36          1HG2      ILE  36   2.602  -4.135   7.501
  261   HG22  ILE  36          2HG2      ILE  36   1.286  -2.971   7.602
  262   HG23  ILE  36          3HG2      ILE  36   2.908  -2.517   8.125
  263   HD11  ILE  36          3HD       ILE  36   2.850  -1.197   3.836
  264   HD12  ILE  36          1HD       ILE  36   2.620   0.446   4.432
  265   HD13  ILE  36          2HD       ILE  36   1.237  -0.633   4.272
  266    H    ARG  37           H        ARG  37   4.299  -5.319   6.553
  267    HA   ARG  37           HA       ARG  37   5.527  -4.617   9.027
  268    HB2  ARG  37           2HB      ARG  37   5.384  -7.293   7.624
  269    HB3  ARG  37           1HB      ARG  37   5.819  -7.041   9.317
  270    HG2  ARG  37           2HG      ARG  37   3.601  -5.900   9.641
  271    HG3  ARG  37           1HG      ARG  37   3.171  -6.391   8.001
  272    HD2  ARG  37           2HD      ARG  37   3.547  -8.755   8.623
  273    HD3  ARG  37           1HD      ARG  37   3.930  -8.250  10.267
  274    HE   ARG  37           HE       ARG  37   1.424  -7.190   9.700
  275   HH11  ARG  37          1HH2      ARG  37   2.961 -10.286   9.842
  276   HH12  ARG  37          2HH2      ARG  37   1.526 -11.132  10.315
  277   HH21  ARG  37          1HH1      ARG  37  -0.464  -8.294  10.321
  278   HH22  ARG  37          2HH1      ARG  37  -0.413 -10.005  10.587
  279    H    SER  38           H        SER  38   6.816  -5.907   5.976
  280    HA   SER  38           HA       SER  38   9.498  -6.220   6.894
  281    HB2  SER  38           2HB      SER  38  10.051  -6.350   4.493
  282    HB3  SER  38           1HB      SER  38   8.671  -7.366   4.904
  283    HG   SER  38           HG       SER  38   7.648  -5.052   4.362
  284    H    LEU  39           H        LEU  39   7.763  -3.585   5.290
  285    HA   LEU  39           HA       LEU  39   9.987  -1.921   4.801
  286    HB2  LEU  39           2HB      LEU  39   7.061  -1.332   5.239
  287    HB3  LEU  39           1HB      LEU  39   8.225  -0.059   4.894
  288    HG   LEU  39           HG       LEU  39   7.932  -2.508   3.134
  289   HD11  LEU  39          1HD1      LEU  39   6.550  -1.047   1.649
  290   HD12  LEU  39          2HD1      LEU  39   6.529   0.170   2.925
  291   HD13  LEU  39          3HD1      LEU  39   5.766  -1.398   3.191
  292   HD21  LEU  39          3HD2      LEU  39   8.815  -0.668   1.455
  293   HD22  LEU  39          1HD2      LEU  39   9.950  -1.452   2.549
  294   HD23  LEU  39          2HD2      LEU  39   9.339   0.158   2.919
  295    H    ASP  40           H        ASP  40  11.273  -0.863   6.122
  296    HA   ASP  40           HA       ASP  40  11.029  -0.993   8.939
  297    HB2  ASP  40           2HB      ASP  40  13.193  -0.748   7.761
  298    HB3  ASP  40           1HB      ASP  40  12.727   0.884   7.281
  299    H    GLN  41           H        GLN  41   8.677  -0.131   8.771
  300    HA   GLN  41           HA       GLN  41   8.761   2.727   9.472
  301    HB2  GLN  41           2HB      GLN  41   7.996   2.309   7.039
  302    HB3  GLN  41           1HB      GLN  41   6.542   1.612   7.749
  303    HG2  GLN  41           2HG      GLN  41   5.936   3.677   8.783
  304    HG3  GLN  41           1HG      GLN  41   7.522   4.381   8.487
  305   HE21  GLN  41          1HE2      GLN  41   5.107   5.648   7.588
  306   HE22  GLN  41          2HE2      GLN  41   5.102   5.619   5.890
  307    H    ASN  42           H        ASN  42   6.503   3.343  10.423
  308    HA   ASN  42           HA       ASN  42   5.237   1.108  11.858
  309    HB2  ASN  42           2HB      ASN  42   6.152   3.579  13.327
  310    HB3  ASN  42           1HB      ASN  42   5.559   2.063  14.005
  311   HD21  ASN  42          1HD2      ASN  42   8.206   3.130  11.777
  312   HD22  ASN  42          2HD2      ASN  42   9.373   2.094  12.447
  313    HA   PRO  43           HA       PRO  43   2.314   4.454  10.533
  314    HB2  PRO  43           2HB      PRO  43   0.949   3.126   8.601
  315    HB3  PRO  43           1HB      PRO  43   2.497   3.928   8.278
  316    HG2  PRO  43           2HG      PRO  43   1.907   1.034   8.633
  317    HG3  PRO  43           1HG      PRO  43   3.113   1.823   7.601
  318    HD2  PRO  43           2HD      PRO  43   3.624   0.641  10.119
  319    HD3  PRO  43           1HD      PRO  43   4.716   1.736   9.249
  320    H    THR  44           H        THR  44   0.261   4.698  11.362
  321    HA   THR  44           HA       THR  44  -0.697   2.806  13.238
  322    HB   THR  44           HB       THR  44  -2.732   4.293  13.281
  323    HG1  THR  44           1HG      THR  44  -2.035   4.879  10.920
  324   HG21  THR  44          3HG2      THR  44  -1.509   6.238  14.178
  325   HG22  THR  44          1HG2      THR  44  -0.030   5.658  13.412
  326   HG23  THR  44          2HG2      THR  44  -0.774   4.726  14.710
  327    H    GLU  45           H        GLU  45  -2.034   1.119  13.027
  328    HA   GLU  45           HA       GLU  45  -2.820   0.238  10.424
  329    HB2  GLU  45           2HB      GLU  45  -2.224  -1.310  12.281
  330    HB3  GLU  45           1HB      GLU  45  -3.692  -0.817  13.125
  331    HG2  GLU  45           2HG      GLU  45  -5.068  -1.625  11.265
  332    HG3  GLU  45           1HG      GLU  45  -3.617  -2.058  10.360
  333    H    GLU  46           H        GLU  46  -4.471   1.770  13.132
  334    HA   GLU  46           HA       GLU  46  -7.120   1.428  12.450
  335    HB2  GLU  46           2HB      GLU  46  -5.744   3.884  13.562
  336    HB3  GLU  46           1HB      GLU  46  -7.494   3.683  13.496
  337    HG2  GLU  46           2HG      GLU  46  -7.354   1.684  14.892
  338    HG3  GLU  46           1HG      GLU  46  -5.593   1.782  14.896
  339    H    GLU  47           H        GLU  47  -4.810   3.775  11.129
  340    HA   GLU  47           HA       GLU  47  -6.590   5.233   9.536
  341    HB2  GLU  47           2HB      GLU  47  -3.662   4.595   9.155
  342    HB3  GLU  47           1HB      GLU  47  -4.552   5.726   8.136
  343    HG2  GLU  47           2HG      GLU  47  -5.128   7.079  10.097
  344    HG3  GLU  47           1HG      GLU  47  -4.297   5.935  11.148
  345    H    LEU  48           H        LEU  48  -4.457   2.544   8.539
  346    HA   LEU  48           HA       LEU  48  -5.227   2.198   5.941
  347    HB2  LEU  48           2HB      LEU  48  -4.479   0.214   8.077
  348    HB3  LEU  48           1HB      LEU  48  -4.945  -0.358   6.475
  349    HG   LEU  48           HG       LEU  48  -3.188   0.978   5.440
  350   HD11  LEU  48          1HD1      LEU  48  -3.128   2.922   6.841
  351   HD12  LEU  48          2HD1      LEU  48  -1.549   2.152   7.004
  352   HD13  LEU  48          3HD1      LEU  48  -2.760   1.958   8.270
  353   HD21  LEU  48          3HD2      LEU  48  -2.157  -0.550   7.853
  354   HD22  LEU  48          1HD2      LEU  48  -1.223  -0.158   6.410
  355   HD23  LEU  48          2HD2      LEU  48  -2.592  -1.264   6.301
  356    H    GLN  49           H        GLN  49  -6.932   0.907   8.793
  357    HA   GLN  49           HA       GLN  49  -8.974  -0.449   7.419
  358    HB2  GLN  49           2HB      GLN  49  -9.007   0.938  10.109
  359    HB3  GLN  49           1HB      GLN  49 -10.288  -0.127   9.527
  360    HG2  GLN  49           2HG      GLN  49  -8.704  -1.980   9.334
  361    HG3  GLN  49           1HG      GLN  49  -7.378  -0.925   9.820
  362   HE21  GLN  49          1HE2      GLN  49  -7.442  -2.917  11.519
  363   HE22  GLN  49          2HE2      GLN  49  -8.295  -2.576  12.948
  364    H    ASP  50           H        ASP  50  -8.890   2.907   8.624
  365    HA   ASP  50           HA       ASP  50 -11.461   3.637   7.676
  366    HB2  ASP  50           2HB      ASP  50  -8.997   5.249   8.327
  367    HB3  ASP  50           1HB      ASP  50 -10.533   5.978   7.858
  368    H    MET  51           H        MET  51  -8.225   4.171   6.270
  369    HA   MET  51           HA       MET  51  -9.130   5.458   3.922
  370    HB2  MET  51           2HB      MET  51  -6.612   3.816   4.272
  371    HB3  MET  51           1HB      MET  51  -6.896   5.072   3.067
  372    HG2  MET  51           2HG      MET  51  -7.001   5.589   6.050
  373    HG3  MET  51           1HG      MET  51  -5.548   5.817   5.082
  374    HE1  MET  51           3HE      MET  51  -6.248   8.449   2.608
  375    HE2  MET  51           1HE      MET  51  -5.453   6.925   3.021
  376    HE3  MET  51           2HE      MET  51  -5.105   8.382   3.945
  377    H    ILE  52           H        ILE  52  -7.775   2.173   4.143
  378    HA   ILE  52           HA       ILE  52  -8.408   1.259   1.642
  379    HB   ILE  52           HB       ILE  52  -8.569  -0.253   4.258
  380   HG12  ILE  52          2HG1      ILE  52  -6.362   0.729   3.803
  381   HG13  ILE  52          1HG1      ILE  52  -6.294  -1.021   3.647
  382   HG21  ILE  52          1HG2      ILE  52  -8.163  -2.267   2.751
  383   HG22  ILE  52          2HG2      ILE  52  -8.617  -1.229   1.398
  384   HG23  ILE  52          3HG2      ILE  52  -9.778  -1.562   2.682
  385   HD11  ILE  52          3HD       ILE  52  -5.170  -0.419   1.724
  386   HD12  ILE  52          1HD       ILE  52  -6.057   1.091   1.546
  387   HD13  ILE  52          2HD       ILE  52  -6.807  -0.433   1.082
  388    H    SER  53           H        SER  53 -10.560   1.239   4.481
  389    HA   SER  53           HA       SER  53 -12.782   0.138   3.037
  390    HB2  SER  53           2HB      SER  53 -12.513  -0.085   5.502
  391    HB3  SER  53           1HB      SER  53 -12.768   1.651   5.662
  392    HG   SER  53           HG       SER  53 -14.609   0.064   4.245
  393    H    GLU  54           H        GLU  54 -11.440   3.287   3.396
  394    HA   GLU  54           HA       GLU  54 -13.910   4.565   2.360
  395    HB2  GLU  54           2HB      GLU  54 -12.968   5.514   4.452
  396    HB3  GLU  54           1HB      GLU  54 -11.465   5.864   3.601
  397    HG2  GLU  54           2HG      GLU  54 -12.420   7.568   2.320
  398    HG3  GLU  54           1HG      GLU  54 -14.048   6.908   2.464
  399    H    VAL  55           H        VAL  55 -11.380   3.093   1.082
  400    HA   VAL  55           HA       VAL  55 -11.041   5.077  -1.105
  401    HB   VAL  55           HB       VAL  55  -9.008   3.162   0.055
  402   HG11  VAL  55          1HG1      VAL  55  -7.519   4.264  -1.715
  403   HG12  VAL  55          2HG1      VAL  55  -9.011   4.812  -2.482
  404   HG13  VAL  55          3HG1      VAL  55  -8.690   3.088  -2.308
  405   HG21  VAL  55          3HG2      VAL  55  -9.492   5.454   1.134
  406   HG22  VAL  55          1HG2      VAL  55  -8.824   6.158  -0.337
  407   HG23  VAL  55          2HG2      VAL  55  -7.818   5.129   0.683
  408    H    ASP  56           H        ASP  56 -11.296   1.679  -0.170
  409    HA   ASP  56           HA       ASP  56 -11.046   0.458  -2.655
  410    HB2  ASP  56           2HB      ASP  56 -11.193  -0.842  -0.611
  411    HB3  ASP  56           1HB      ASP  56 -12.843  -0.285  -0.337
  412    H    ALA  57           H        ALA  57 -11.990   1.862  -4.204
  413    HA   ALA  57           HA       ALA  57 -14.784   2.515  -4.149
  414    HB1  ALA  57           1HB      ALA  57 -12.743   2.623  -6.382
  415    HB2  ALA  57           2HB      ALA  57 -13.232   3.958  -5.338
  416    HB3  ALA  57           3HB      ALA  57 -14.380   3.272  -6.489
  417    H    ASP  58           H        ASP  58 -12.812   0.233  -6.040
  418    HA   ASP  58           HA       ASP  58 -14.746  -0.926  -7.634
  419    HB2  ASP  58           2HB      ASP  58 -12.585  -2.491  -6.226
  420    HB3  ASP  58           1HB      ASP  58 -13.332  -2.843  -7.780
  421    H    GLY  59           H        GLY  59 -14.240  -1.285  -4.198
  422    HA2  GLY  59           2HA      GLY  59 -15.674  -2.139  -2.590
  423    HA3  GLY  59           1HA      GLY  59 -16.813  -2.536  -3.873
  424    H    ASN  60           H        ASN  60 -13.696  -3.683  -4.513
  425    HA   ASN  60           HA       ASN  60 -14.548  -6.441  -4.019
  426    HB2  ASN  60           2HB      ASN  60 -12.430  -6.990  -5.248
  427    HB3  ASN  60           1HB      ASN  60 -13.573  -6.024  -6.176
  428   HD21  ASN  60          1HD2      ASN  60 -11.176  -5.703  -7.225
  429   HD22  ASN  60          2HD2      ASN  60 -10.386  -4.298  -6.692
  430    H    GLY  61           H        GLY  61 -13.088  -4.095  -2.237
  431    HA2  GLY  61           2HA      GLY  61 -11.890  -4.127  -0.271
  432    HA3  GLY  61           1HA      GLY  61 -12.209  -5.857  -0.207
  433    H    THR  62           H        THR  62 -10.469  -4.051  -2.708
  434    HA   THR  62           HA       THR  62  -7.930  -5.322  -1.887
  435    HB   THR  62           HB       THR  62  -7.463  -5.832  -4.276
  436    HG1  THR  62           1HG      THR  62  -8.978  -4.323  -5.122
  437   HG21  THR  62          3HG2      THR  62  -8.440  -7.512  -2.672
  438   HG22  THR  62          1HG2      THR  62  -8.821  -7.826  -4.366
  439   HG23  THR  62          2HG2      THR  62 -10.034  -7.103  -3.308
  440    H    ILE  63           H        ILE  63  -6.057  -4.218  -2.569
  441    HA   ILE  63           HA       ILE  63  -6.461  -1.350  -2.939
  442    HB   ILE  63           HB       ILE  63  -3.970  -3.004  -2.472
  443   HG12  ILE  63          2HG1      ILE  63  -5.325  -1.048  -0.607
  444   HG13  ILE  63          1HG1      ILE  63  -5.740  -2.762  -0.622
  445   HG21  ILE  63          1HG2      ILE  63  -4.424  -0.026  -2.745
  446   HG22  ILE  63          2HG2      ILE  63  -3.290  -1.035  -3.644
  447   HG23  ILE  63          3HG2      ILE  63  -3.008  -0.697  -1.935
  448   HD11  ILE  63          3HD       ILE  63  -4.037  -2.367   1.081
  449   HD12  ILE  63          1HD       ILE  63  -2.994  -1.584  -0.107
  450   HD13  ILE  63          2HD       ILE  63  -3.337  -3.310  -0.233
  451    H    GLU  64           H        GLU  64  -5.441  -0.146  -4.613
  452    HA   GLU  64           HA       GLU  64  -4.445  -1.653  -6.944
  453    HB2  GLU  64           2HB      GLU  64  -6.617   0.448  -7.146
  454    HB3  GLU  64           1HB      GLU  64  -5.937  -0.508  -8.463
  455    HG2  GLU  64           2HG      GLU  64  -6.766  -2.576  -7.340
  456    HG3  GLU  64           1HG      GLU  64  -7.526  -1.571  -6.109
  457    H    PHE  65           H        PHE  65  -3.878   0.121  -8.712
  458    HA   PHE  65           HA       PHE  65  -1.696   1.608  -7.793
  459    HB2  PHE  65           2HB      PHE  65  -3.440   1.983 -10.235
  460    HB3  PHE  65           1HB      PHE  65  -1.930   2.853  -9.964
  461    HD1  PHE  65           1HD      PHE  65   0.227   1.639  -9.870
  462    HD2  PHE  65           2HD      PHE  65  -3.453  -0.360 -10.826
  463    HE1  PHE  65           1HE      PHE  65   1.506  -0.296 -10.747
  464    HE2  PHE  65           2HE      PHE  65  -2.174  -2.296 -11.704
  465    HZ   PHE  65           HZ       PHE  65   0.305  -2.263 -11.666
  466    H    ASP  66           H        ASP  66  -4.457   3.305  -9.223
  467    HA   ASP  66           HA       ASP  66  -4.062   5.752  -8.035
  468    HB2  ASP  66           2HB      ASP  66  -5.789   5.314  -9.748
  469    HB3  ASP  66           1HB      ASP  66  -6.746   4.449  -8.547
  470    H    GLU  67           H        GLU  67  -6.125   3.164  -6.701
  471    HA   GLU  67           HA       GLU  67  -6.884   4.382  -4.336
  472    HB2  GLU  67           2HB      GLU  67  -6.161   1.496  -4.878
  473    HB3  GLU  67           1HB      GLU  67  -6.917   2.047  -3.384
  474    HG2  GLU  67           2HG      GLU  67  -8.827   2.923  -4.639
  475    HG3  GLU  67           1HG      GLU  67  -8.059   2.470  -6.160
  476    H    PHE  68           H        PHE  68  -3.806   2.820  -5.097
  477    HA   PHE  68           HA       PHE  68  -2.788   3.044  -2.421
  478    HB2  PHE  68           2HB      PHE  68  -1.975   1.366  -4.098
  479    HB3  PHE  68           1HB      PHE  68  -1.239   2.691  -5.001
  480    HD1  PHE  68           1HD      PHE  68  -1.229   0.907  -1.739
  481    HD2  PHE  68           2HD      PHE  68   0.822   3.675  -4.305
  482    HE1  PHE  68           1HE      PHE  68   0.758   0.811  -0.257
  483    HE2  PHE  68           2HE      PHE  68   2.808   3.578  -2.823
  484    HZ   PHE  68           HZ       PHE  68   2.776   2.145  -0.799
  485    H    LEU  69           H        LEU  69  -2.483   4.961  -5.374
  486    HA   LEU  69           HA       LEU  69  -0.564   6.797  -4.379
  487    HB2  LEU  69           2HB      LEU  69  -2.670   7.192  -6.517
  488    HB3  LEU  69           1HB      LEU  69  -1.240   8.192  -6.280
  489    HG   LEU  69           HG       LEU  69  -1.183   5.218  -6.888
  490   HD11  LEU  69          1HD1      LEU  69  -2.041   6.756  -8.733
  491   HD12  LEU  69          2HD1      LEU  69  -0.616   5.800  -9.139
  492   HD13  LEU  69          3HD1      LEU  69  -0.444   7.505  -8.727
  493   HD21  LEU  69          3HD2      LEU  69   0.853   5.673  -5.807
  494   HD22  LEU  69          1HD2      LEU  69   0.925   7.325  -6.418
  495   HD23  LEU  69          2HD2      LEU  69   1.275   5.970  -7.491
  496    H    SER  70           H        SER  70  -4.092   6.761  -4.401
  497    HA   SER  70           HA       SER  70  -4.509   9.369  -3.406
  498    HB2  SER  70           2HB      SER  70  -6.748   8.545  -2.764
  499    HB3  SER  70           1HB      SER  70  -6.320   8.070  -4.405
  500    HG   SER  70           HG       SER  70  -5.404   6.213  -2.761
  501    H    LEU  71           H        LEU  71  -4.117   6.243  -1.789
  502    HA   LEU  71           HA       LEU  71  -4.625   7.072   0.838
  503    HB2  LEU  71           2HB      LEU  71  -4.496   4.724   0.257
  504    HB3  LEU  71           1HB      LEU  71  -2.803   4.886  -0.196
  505    HG   LEU  71           HG       LEU  71  -3.417   5.831   2.564
  506   HD11  LEU  71          1HD1      LEU  71  -3.601   2.880   1.897
  507   HD12  LEU  71          2HD1      LEU  71  -4.933   3.893   2.456
  508   HD13  LEU  71          3HD1      LEU  71  -3.562   3.570   3.520
  509   HD21  LEU  71          3HD2      LEU  71  -1.395   3.756   1.692
  510   HD22  LEU  71          1HD2      LEU  71  -1.311   4.859   3.065
  511   HD23  LEU  71          2HD2      LEU  71  -1.121   5.478   1.425
  512    H    MET  72           H        MET  72  -1.669   7.128  -1.092
  513    HA   MET  72           HA       MET  72   0.028   7.975   1.048
  514    HB2  MET  72           2HB      MET  72   0.375   8.124  -1.952
  515    HB3  MET  72           1HB      MET  72   1.637   8.483  -0.773
  516    HG2  MET  72           2HG      MET  72   0.156   5.842  -0.892
  517    HG3  MET  72           1HG      MET  72   1.714   6.126  -1.668
  518    HE1  MET  72           3HE      MET  72   3.832   5.842  -0.690
  519    HE2  MET  72           1HE      MET  72   4.289   6.256   0.968
  520    HE3  MET  72           2HE      MET  72   3.662   7.498  -0.114
  521    H    ALA  73           H        ALA  73  -1.632   9.635  -1.616
  522    HA   ALA  73           HA       ALA  73  -0.634  12.186  -1.355
  523    HB1  ALA  73           1HB      ALA  73  -2.804  12.972  -2.245
  524    HB2  ALA  73           2HB      ALA  73  -3.495  11.382  -1.925
  525    HB3  ALA  73           3HB      ALA  73  -2.205  11.559  -3.115
  526    H    LYS  74           H        LYS  74  -3.299  10.712   0.471
  527    HA   LYS  74           HA       LYS  74  -3.689  13.071   2.098
  528    HB2  LYS  74           2HB      LYS  74  -4.830  10.277   2.157
  529    HB3  LYS  74           1HB      LYS  74  -5.219  11.484   3.385
  530    HG2  LYS  74           2HG      LYS  74  -6.193  12.953   1.771
  531    HG3  LYS  74           1HG      LYS  74  -5.536  12.023   0.426
  532    HD2  LYS  74           2HD      LYS  74  -7.914  11.513   0.692
  533    HD3  LYS  74           1HD      LYS  74  -6.952  10.093   1.098
  534    HE2  LYS  74           2HE      LYS  74  -7.284  10.392   3.425
  535    HE3  LYS  74           1HE      LYS  74  -7.834  12.054   3.217
  536    HZ1  LYS  74           3HZ      LYS  74  -9.900  11.340   2.980
  537    HZ2  LYS  74           1HZ      LYS  74  -9.384   9.755   3.296
  538    HZ3  LYS  74           2HZ      LYS  74  -9.451  10.322   1.695
  539    H    LYS  75           H        LYS  75  -2.428   9.771   2.630
  540    HA   LYS  75           HA       LYS  75  -1.766  10.086   5.347
  541    HB2  LYS  75           2HB      LYS  75  -1.836   7.912   4.078
  542    HB3  LYS  75           1HB      LYS  75  -0.301   8.364   3.335
  543    HG2  LYS  75           2HG      LYS  75   0.759   8.500   5.539
  544    HG3  LYS  75           1HG      LYS  75  -0.778   8.119   6.319
  545    HD2  LYS  75           2HD      LYS  75  -0.824   5.939   5.148
  546    HD3  LYS  75           1HD      LYS  75   0.727   6.316   4.398
  547    HE2  LYS  75           2HE      LYS  75   1.781   6.463   6.616
  548    HE3  LYS  75           1HE      LYS  75   0.231   6.123   7.384
  549    HZ1  LYS  75           3HZ      LYS  75   0.531   3.967   7.067
  550    HZ2  LYS  75           1HZ      LYS  75   2.095   4.289   6.499
  551    HZ3  LYS  75           2HZ      LYS  75   0.800   4.183   5.405
  552    H    VAL  76           H        VAL  76   0.383  10.309   2.500
  553    HA   VAL  76           HA       VAL  76   2.637  11.223   3.924
  554    HB   VAL  76           HB       VAL  76   1.924  11.755   1.031
  555   HG11  VAL  76          1HG1      VAL  76   4.446  11.785   0.827
  556   HG12  VAL  76          2HG1      VAL  76   4.521  11.798   2.589
  557   HG13  VAL  76          3HG1      VAL  76   3.766  13.141   1.729
  558   HG21  VAL  76          3HG2      VAL  76   3.502   9.478   2.270
  559   HG22  VAL  76          1HG2      VAL  76   3.159   9.699   0.555
  560   HG23  VAL  76          2HG2      VAL  76   1.846   9.340   1.678
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  -0.859  17.903   1.903
    2    H2   ALA   1           2HT      ALA   1  -0.822  16.238   1.562
    3    H3   ALA   1           3HT      ALA   1  -2.309  17.052   1.677
    4    HA   ALA   1           HA       ALA   1  -1.848  16.698  -0.621
    5    HB1  ALA   1           2HB      ALA   1  -2.911  18.814  -0.136
    6    HB2  ALA   1           3HB      ALA   1  -1.681  19.103  -1.368
    7    HB3  ALA   1           1HB      ALA   1  -1.368  19.542   0.310
    8    H    ASP   2           H        ASP   2  -0.112  15.558  -1.327
    9    HA   ASP   2           HA       ASP   2   2.234  17.036  -2.131
   10    HB2  ASP   2           2HB      ASP   2   2.683  16.389   0.276
   11    HB3  ASP   2           1HB      ASP   2   2.642  14.707  -0.249
   12    H    ILE   3           H        ILE   3   3.913  15.242  -2.983
   13    HA   ILE   3           HA       ILE   3   2.414  13.107  -4.384
   14    HB   ILE   3           HB       ILE   3   4.324  15.088  -5.659
   15   HG12  ILE   3          2HG1      ILE   3   1.415  14.487  -6.283
   16   HG13  ILE   3          1HG1      ILE   3   1.931  15.820  -5.249
   17   HG21  ILE   3          1HG2      ILE   3   4.751  12.944  -6.638
   18   HG22  ILE   3          2HG2      ILE   3   3.672  13.779  -7.754
   19   HG23  ILE   3          3HG2      ILE   3   3.035  12.542  -6.671
   20   HD11  ILE   3          3HD       ILE   3   3.293  16.727  -7.108
   21   HD12  ILE   3          1HD       ILE   3   1.587  16.615  -7.547
   22   HD13  ILE   3          2HD       ILE   3   2.732  15.415  -8.146
   23    H    LEU   4           H        LEU   4   3.649  11.309  -4.961
   24    HA   LEU   4           HA       LEU   4   5.669  10.523  -3.195
   25    HB2  LEU   4           2HB      LEU   4   5.236   9.465  -5.992
   26    HB3  LEU   4           1HB      LEU   4   5.961   8.612  -4.628
   27    HG   LEU   4           HG       LEU   4   3.092   9.580  -4.804
   28   HD11  LEU   4          1HD1      LEU   4   4.407   6.868  -5.028
   29   HD12  LEU   4          2HD1      LEU   4   3.316   7.649  -6.171
   30   HD13  LEU   4          3HD1      LEU   4   2.698   7.049  -4.634
   31   HD21  LEU   4          3HD2      LEU   4   4.718   8.329  -2.587
   32   HD22  LEU   4          1HD2      LEU   4   2.978   8.061  -2.674
   33   HD23  LEU   4          2HD2      LEU   4   3.606   9.697  -2.509
   34    H    SER   5           H        SER   5   7.895   9.855  -3.858
   35    HA   SER   5           HA       SER   5   9.215  12.076  -5.291
   36    HB2  SER   5           2HB      SER   5  10.445  11.956  -3.373
   37    HB3  SER   5           1HB      SER   5   9.887  10.327  -3.016
   38    HG   SER   5           HG       SER   5  12.199  11.114  -4.089
   39    H    GLU   6           H        GLU   6  10.050  11.753  -7.267
   40    HA   GLU   6           HA       GLU   6   9.683   9.688  -8.940
   41    HB2  GLU   6           2HB      GLU   6  10.807  11.814  -9.538
   42    HB3  GLU   6           1HB      GLU   6  12.283  11.224  -8.775
   43    HG2  GLU   6           2HG      GLU   6  12.354   9.327 -10.331
   44    HG3  GLU   6           1HG      GLU   6  10.845   9.861 -11.071
   45    H    GLU   7           H        GLU   7  12.898   9.965  -7.447
   46    HA   GLU   7           HA       GLU   7  13.809   7.424  -7.974
   47    HB2  GLU   7           2HB      GLU   7  14.318   9.174  -5.558
   48    HB3  GLU   7           1HB      GLU   7  15.244   7.719  -5.928
   49    HG2  GLU   7           2HG      GLU   7  15.931   8.670  -8.078
   50    HG3  GLU   7           1HG      GLU   7  14.945  10.101  -7.781
   51    H    GLN   8           H        GLN   8  11.498   8.424  -5.546
   52    HA   GLN   8           HA       GLN   8  11.610   5.930  -4.082
   53    HB2  GLN   8           2HB      GLN   8  10.922   8.232  -3.152
   54    HB3  GLN   8           1HB      GLN   8   9.371   7.947  -3.938
   55    HG2  GLN   8           2HG      GLN   8   9.124   5.831  -2.699
   56    HG3  GLN   8           1HG      GLN   8  10.668   6.124  -1.899
   57   HE21  GLN   8          1HE2      GLN   8   8.145   5.915  -0.465
   58   HE22  GLN   8          2HE2      GLN   8   7.840   7.428   0.241
   59    H    ILE   9           H        ILE   9   9.850   7.224  -6.802
   60    HA   ILE   9           HA       ILE   9   7.655   5.410  -6.716
   61    HB   ILE   9           HB       ILE   9   8.134   7.649  -8.170
   62   HG12  ILE   9          2HG1      ILE   9   6.221   6.914  -9.654
   63   HG13  ILE   9          1HG1      ILE   9   6.353   5.316  -8.927
   64   HG21  ILE   9          1HG2      ILE   9   8.591   7.226 -10.457
   65   HG22  ILE   9          2HG2      ILE   9   8.434   5.482 -10.255
   66   HG23  ILE   9          3HG2      ILE   9   9.824   6.321  -9.585
   67   HD11  ILE   9          3HD       ILE   9   6.160   7.560  -6.989
   68   HD12  ILE   9          1HD       ILE   9   5.376   5.981  -6.980
   69   HD13  ILE   9          2HD       ILE   9   4.732   7.282  -7.978
   70    H    VAL  10           H        VAL  10  10.882   5.301  -8.093
   71    HA   VAL  10           HA       VAL  10  10.437   2.846  -9.526
   72    HB   VAL  10           HB       VAL  10  13.036   4.185  -8.748
   73   HG11  VAL  10          1HG1      VAL  10  12.344   1.948 -10.670
   74   HG12  VAL  10          2HG1      VAL  10  13.435   1.873  -9.287
   75   HG13  VAL  10          3HG1      VAL  10  13.878   2.816 -10.711
   76   HG21  VAL  10          3HG2      VAL  10  12.827   4.723 -11.343
   77   HG22  VAL  10          1HG2      VAL  10  12.014   5.743 -10.158
   78   HG23  VAL  10          2HG2      VAL  10  11.104   4.515 -11.038
   79    H    ASP  11           H        ASP  11  12.023   3.728  -6.475
   80    HA   ASP  11           HA       ASP  11  13.035   1.231  -5.746
   81    HB2  ASP  11           2HB      ASP  11  13.528   3.282  -4.515
   82    HB3  ASP  11           1HB      ASP  11  11.855   3.372  -3.968
   83    H    PHE  12           H        PHE  12   9.840   2.637  -4.989
   84    HA   PHE  12           HA       PHE  12   8.888   0.326  -3.647
   85    HB2  PHE  12           2HB      PHE  12   7.577   2.778  -4.813
   86    HB3  PHE  12           1HB      PHE  12   6.580   1.452  -4.217
   87    HD1  PHE  12           1HD      PHE  12   9.678   3.281  -3.103
   88    HD2  PHE  12           2HD      PHE  12   5.830   1.704  -2.019
   89    HE1  PHE  12           1HE      PHE  12   9.992   4.102  -0.788
   90    HE2  PHE  12           2HE      PHE  12   6.147   2.528   0.296
   91    HZ   PHE  12           HZ       PHE  12   8.227   3.728   0.912
   92    H    LYS  13           H        LYS  13   8.522   1.490  -6.990
   93    HA   LYS  13           HA       LYS  13   6.762  -0.472  -7.906
   94    HB2  LYS  13           2HB      LYS  13   7.429   1.540  -9.190
   95    HB3  LYS  13           1HB      LYS  13   9.026   0.831  -9.434
   96    HG2  LYS  13           2HG      LYS  13   8.052  -1.056 -10.631
   97    HG3  LYS  13           1HG      LYS  13   6.425  -0.458 -10.303
   98    HD2  LYS  13           2HD      LYS  13   6.931   1.601 -11.577
   99    HD3  LYS  13           1HD      LYS  13   8.543   0.975 -11.931
  100    HE2  LYS  13           2HE      LYS  13   5.929  -0.332 -12.738
  101    HE3  LYS  13           1HE      LYS  13   7.012   0.550 -13.814
  102    HZ1  LYS  13           3HZ      LYS  13   7.801  -1.527 -14.150
  103    HZ2  LYS  13           1HZ      LYS  13   7.317  -2.096 -12.628
  104    HZ3  LYS  13           2HZ      LYS  13   8.725  -1.156 -12.775
  105    H    GLU  14           H        GLU  14  10.306  -0.495  -7.679
  106    HA   GLU  14           HA       GLU  14  10.775  -2.936  -8.968
  107    HB2  GLU  14           2HB      GLU  14  12.501  -1.232  -8.252
  108    HB3  GLU  14           1HB      GLU  14  12.346  -1.870  -6.615
  109    HG2  GLU  14           2HG      GLU  14  14.194  -3.019  -7.632
  110    HG3  GLU  14           1HG      GLU  14  12.854  -4.162  -7.572
  111    H    ALA  15           H        ALA  15  10.147  -2.211  -5.547
  112    HA   ALA  15           HA       ALA  15  10.334  -4.911  -4.645
  113    HB1  ALA  15           1HB      ALA  15   9.136  -4.029  -2.628
  114    HB2  ALA  15           2HB      ALA  15   8.996  -2.478  -3.454
  115    HB3  ALA  15           3HB      ALA  15  10.587  -3.123  -3.056
  116    H    PHE  16           H        PHE  16   7.756  -2.928  -5.967
  117    HA   PHE  16           HA       PHE  16   5.582  -4.612  -5.220
  118    HB2  PHE  16           2HB      PHE  16   5.394  -2.204  -5.919
  119    HB3  PHE  16           1HB      PHE  16   5.714  -2.722  -7.574
  120    HD1  PHE  16           1HD      PHE  16   4.167  -4.429  -8.649
  121    HD2  PHE  16           2HD      PHE  16   3.231  -2.438  -4.959
  122    HE1  PHE  16           1HE      PHE  16   1.779  -5.040  -8.924
  123    HE2  PHE  16           2HE      PHE  16   0.845  -3.048  -5.237
  124    HZ   PHE  16           HZ       PHE  16   0.118  -4.349  -7.216
  125    H    GLY  17           H        GLY  17   7.400  -4.234  -8.265
  126    HA2  GLY  17           2HA      GLY  17   6.031  -6.247  -9.700
  127    HA3  GLY  17           1HA      GLY  17   7.633  -5.625 -10.083
  128    H    LEU  18           H        LEU  18   8.735  -6.360  -7.449
  129    HA   LEU  18           HA       LEU  18   9.523  -9.035  -8.098
  130    HB2  LEU  18           2HB      LEU  18  10.048  -7.233  -5.734
  131    HB3  LEU  18           1HB      LEU  18  10.689  -8.869  -5.829
  132    HG   LEU  18           HG       LEU  18  11.119  -6.864  -8.056
  133   HD11  LEU  18          1HD1      LEU  18  13.342  -6.413  -7.012
  134   HD12  LEU  18          2HD1      LEU  18  12.828  -7.331  -5.596
  135   HD13  LEU  18          3HD1      LEU  18  11.997  -5.836  -6.027
  136   HD21  LEU  18          3HD2      LEU  18  13.246  -8.367  -8.250
  137   HD22  LEU  18          1HD2      LEU  18  11.714  -9.033  -8.800
  138   HD23  LEU  18          2HD2      LEU  18  12.365  -9.499  -7.230
  139    H    PHE  19           H        PHE  19   7.383  -7.579  -5.691
  140    HA   PHE  19           HA       PHE  19   6.729 -10.196  -4.556
  141    HB2  PHE  19           2HB      PHE  19   6.950  -8.034  -3.194
  142    HB3  PHE  19           1HB      PHE  19   5.417  -7.547  -3.916
  143    HD1  PHE  19           1HD      PHE  19   6.991 -10.474  -2.184
  144    HD2  PHE  19           2HD      PHE  19   3.425  -8.171  -2.842
  145    HE1  PHE  19           1HE      PHE  19   5.787 -11.864  -0.523
  146    HE2  PHE  19           2HE      PHE  19   2.222  -9.562  -1.179
  147    HZ   PHE  19           HZ       PHE  19   3.402 -11.409  -0.020
  148    H    ASP  20           H        ASP  20   5.632  -8.178  -7.073
  149    HA   ASP  20           HA       ASP  20   3.039  -9.626  -7.168
  150    HB2  ASP  20           2HB      ASP  20   3.004  -7.087  -6.978
  151    HB3  ASP  20           1HB      ASP  20   3.699  -7.050  -8.598
  152    H    LYS  21           H        LYS  21   3.501 -11.399  -8.417
  153    HA   LYS  21           HA       LYS  21   4.885 -10.959 -11.003
  154    HB2  LYS  21           2HB      LYS  21   4.523 -13.461  -9.340
  155    HB3  LYS  21           1HB      LYS  21   5.244 -13.429 -10.950
  156    HG2  LYS  21           2HG      LYS  21   7.063 -12.069 -10.218
  157    HG3  LYS  21           1HG      LYS  21   6.266 -11.702  -8.688
  158    HD2  LYS  21           2HD      LYS  21   7.992 -13.380  -8.303
  159    HD3  LYS  21           1HD      LYS  21   6.406 -14.121  -8.080
  160    HE2  LYS  21           2HE      LYS  21   6.509 -15.232 -10.174
  161    HE3  LYS  21           1HE      LYS  21   7.842 -14.223 -10.736
  162    HZ1  LYS  21           3HZ      LYS  21   9.154 -15.201  -8.845
  163    HZ2  LYS  21           1HZ      LYS  21   8.785 -16.266 -10.113
  164    HZ3  LYS  21           2HZ      LYS  21   7.902 -16.336  -8.663
  165    H    ASP  22           H        ASP  22   2.002 -12.202  -9.443
  166    HA   ASP  22           HA       ASP  22   0.768 -13.676 -11.376
  167    HB2  ASP  22           2HB      ASP  22  -1.393 -12.764 -10.506
  168    HB3  ASP  22           1HB      ASP  22  -0.292 -13.299  -9.238
  169    H    GLY  23           H        GLY  23   1.727 -10.424 -11.614
  170    HA2  GLY  23           2HA      GLY  23   1.621  -8.916 -13.352
  171    HA3  GLY  23           1HA      GLY  23   0.926 -10.200 -14.337
  172    H    ASP  24           H        ASP  24  -1.047 -10.276 -11.834
  173    HA   ASP  24           HA       ASP  24  -3.273  -9.170 -13.074
  174    HB2  ASP  24           2HB      ASP  24  -4.384  -9.326 -10.943
  175    HB3  ASP  24           1HB      ASP  24  -3.295 -10.704 -11.090
  176    H    GLY  25           H        GLY  25  -0.624  -7.552 -11.768
  177    HA2  GLY  25           2HA      GLY  25  -0.166  -5.285 -11.702
  178    HA3  GLY  25           1HA      GLY  25  -1.793  -4.980 -12.304
  179    H    CYS  26           H        CYS  26  -3.577  -5.407 -10.662
  180    HA   CYS  26           HA       CYS  26  -3.087  -3.806  -8.361
  181    HB2  CYS  26           2HB      CYS  26  -5.427  -5.475  -9.277
  182    HB3  CYS  26           1HB      CYS  26  -5.444  -4.610  -7.740
  183    HG   CYS  26           HG       CYS  26  -5.021  -2.373  -9.149
  184    H    ILE  27           H        ILE  27  -3.761  -4.580  -6.126
  185    HA   ILE  27           HA       ILE  27  -2.981  -7.369  -5.607
  186    HB   ILE  27           HB       ILE  27  -1.670  -6.415  -3.594
  187   HG12  ILE  27          2HG1      ILE  27  -1.457  -3.962  -5.344
  188   HG13  ILE  27          1HG1      ILE  27  -2.703  -4.074  -4.103
  189   HG21  ILE  27          1HG2      ILE  27  -0.825  -6.368  -6.479
  190   HG22  ILE  27          2HG2      ILE  27  -0.258  -7.396  -5.163
  191   HG23  ILE  27          3HG2      ILE  27   0.288  -5.729  -5.272
  192   HD11  ILE  27          3HD       ILE  27  -0.551  -2.963  -3.355
  193   HD12  ILE  27          1HD       ILE  27   0.232  -4.533  -3.534
  194   HD13  ILE  27          2HD       ILE  27  -1.071  -4.328  -2.368
  195    H    THR  28           H        THR  28  -3.501  -8.005  -3.342
  196    HA   THR  28           HA       THR  28  -6.146  -7.026  -2.633
  197    HB   THR  28           HB       THR  28  -4.836  -9.150  -1.000
  198    HG1  THR  28           1HG      THR  28  -4.307  -9.237  -3.441
  199   HG21  THR  28          3HG2      THR  28  -7.337  -8.369  -1.066
  200   HG22  THR  28          1HG2      THR  28  -6.983 -10.097  -1.003
  201   HG23  THR  28          2HG2      THR  28  -7.421  -9.340  -2.535
  202    H    VAL  29           H        VAL  29  -6.304  -7.370   0.030
  203    HA   VAL  29           HA       VAL  29  -4.934  -5.042   1.024
  204    HB   VAL  29           HB       VAL  29  -6.763  -7.005   2.425
  205   HG11  VAL  29          1HG1      VAL  29  -7.056  -4.994   3.973
  206   HG12  VAL  29          2HG1      VAL  29  -5.620  -4.317   3.206
  207   HG13  VAL  29          3HG1      VAL  29  -5.513  -5.838   4.091
  208   HG21  VAL  29          3HG2      VAL  29  -8.516  -5.416   1.971
  209   HG22  VAL  29          1HG2      VAL  29  -7.697  -5.727   0.441
  210   HG23  VAL  29          2HG2      VAL  29  -7.365  -4.243   1.333
  211    H    GLU  30           H        GLU  30  -4.777  -8.540   1.492
  212    HA   GLU  30           HA       GLU  30  -3.014  -8.562   3.699
  213    HB2  GLU  30           2HB      GLU  30  -3.499 -10.603   1.518
  214    HB3  GLU  30           1HB      GLU  30  -2.510 -10.905   2.947
  215    HG2  GLU  30           2HG      GLU  30  -4.416 -10.465   4.407
  216    HG3  GLU  30           1HG      GLU  30  -5.415 -10.045   3.015
  217    H    GLU  31           H        GLU  31  -2.381  -8.892   0.199
  218    HA   GLU  31           HA       GLU  31   0.322  -9.268   0.165
  219    HB2  GLU  31           2HB      GLU  31  -1.448  -7.579  -1.598
  220    HB3  GLU  31           1HB      GLU  31   0.286  -7.678  -1.904
  221    HG2  GLU  31           2HG      GLU  31   0.156 -10.090  -2.161
  222    HG3  GLU  31           1HG      GLU  31  -1.540 -10.089  -1.682
  223    H    LEU  32           H        LEU  32  -1.113  -5.964   0.105
  224    HA   LEU  32           HA       LEU  32   1.322  -4.675   0.591
  225    HB2  LEU  32           2HB      LEU  32  -1.127  -3.820  -0.108
  226    HB3  LEU  32           1HB      LEU  32  -1.227  -3.463   1.607
  227    HG   LEU  32           HG       LEU  32  -0.408  -1.500   0.449
  228   HD11  LEU  32          1HD1      LEU  32   0.639  -2.346   2.684
  229   HD12  LEU  32          2HD1      LEU  32   1.430  -1.029   1.819
  230   HD13  LEU  32          3HD1      LEU  32   2.067  -2.668   1.703
  231   HD21  LEU  32          3HD2      LEU  32   0.765  -3.241  -1.353
  232   HD22  LEU  32          1HD2      LEU  32   2.169  -2.664  -0.457
  233   HD23  LEU  32          2HD2      LEU  32   1.101  -1.518  -1.261
  234    H    ALA  33           H        ALA  33  -1.148  -5.904   2.822
  235    HA   ALA  33           HA       ALA  33  -0.406  -4.800   5.203
  236    HB1  ALA  33           1HB      ALA  33  -2.179  -6.622   4.696
  237    HB2  ALA  33           2HB      ALA  33  -1.412  -6.622   6.284
  238    HB3  ALA  33           3HB      ALA  33  -0.886  -7.769   5.050
  239    H    THR  34           H        THR  34   0.871  -7.991   4.188
  240    HA   THR  34           HA       THR  34   2.928  -8.204   6.007
  241    HB   THR  34           HB       THR  34   3.151  -9.075   3.126
  242    HG1  THR  34           1HG      THR  34   1.133  -9.664   4.035
  243   HG21  THR  34          3HG2      THR  34   4.218 -10.145   5.752
  244   HG22  THR  34          1HG2      THR  34   5.159  -9.402   4.461
  245   HG23  THR  34          2HG2      THR  34   4.385 -10.963   4.199
  246    H    VAL  35           H        VAL  35   3.131  -6.787   2.729
  247    HA   VAL  35           HA       VAL  35   5.797  -6.053   2.716
  248    HB   VAL  35           HB       VAL  35   3.427  -4.581   1.558
  249   HG11  VAL  35          1HG1      VAL  35   5.252  -3.708  -0.026
  250   HG12  VAL  35          2HG1      VAL  35   6.408  -4.231   1.199
  251   HG13  VAL  35          3HG1      VAL  35   5.205  -3.002   1.589
  252   HG21  VAL  35          3HG2      VAL  35   3.870  -6.976   0.843
  253   HG22  VAL  35          1HG2      VAL  35   5.436  -6.431   0.241
  254   HG23  VAL  35          2HG2      VAL  35   3.950  -5.793  -0.463
  255    H    ILE  36           H        ILE  36   3.105  -4.538   4.377
  256    HA   ILE  36           HA       ILE  36   4.439  -2.099   5.067
  257    HB   ILE  36           HB       ILE  36   1.823  -3.063   5.286
  258   HG12  ILE  36          2HG1      ILE  36   1.462  -0.813   6.550
  259   HG13  ILE  36          1HG1      ILE  36   3.199  -0.591   6.347
  260   HG21  ILE  36          1HG2      ILE  36   2.512  -4.149   7.482
  261   HG22  ILE  36          2HG2      ILE  36   1.172  -3.014   7.596
  262   HG23  ILE  36          3HG2      ILE  36   2.789  -2.526   8.106
  263   HD11  ILE  36          3HD       ILE  36   2.667  -1.196   3.823
  264   HD12  ILE  36          1HD       ILE  36   2.391   0.437   4.424
  265   HD13  ILE  36          2HD       ILE  36   1.040  -0.682   4.269
  266    H    ARG  37           H        ARG  37   4.238  -5.282   6.525
  267    HA   ARG  37           HA       ARG  37   5.459  -4.547   8.998
  268    HB2  ARG  37           2HB      ARG  37   5.366  -7.226   7.595
  269    HB3  ARG  37           1HB      ARG  37   5.821  -6.966   9.282
  270    HG2  ARG  37           2HG      ARG  37   3.583  -5.877   9.642
  271    HG3  ARG  37           1HG      ARG  37   3.138  -6.371   8.008
  272    HD2  ARG  37           2HD      ARG  37   3.553  -8.727   8.610
  273    HD3  ARG  37           1HD      ARG  37   3.988  -8.232  10.243
  274    HE   ARG  37           HE       ARG  37   1.478  -7.194   9.882
  275   HH11  ARG  37          1HH2      ARG  37   2.954 -10.304   9.543
  276   HH12  ARG  37          2HH2      ARG  37   1.520 -11.184   9.956
  277   HH21  ARG  37          1HH1      ARG  37  -0.408  -8.342  10.426
  278   HH22  ARG  37          2HH1      ARG  37  -0.382 -10.073  10.456
  279    H    SER  38           H        SER  38   6.763  -5.806   5.938
  280    HA   SER  38           HA       SER  38   9.458  -6.051   6.841
  281    HB2  SER  38           2HB      SER  38   9.997  -6.170   4.438
  282    HB3  SER  38           1HB      SER  38   8.646  -7.219   4.861
  283    HG   SER  38           HG       SER  38   7.661  -4.833   4.305
  284    H    LEU  39           H        LEU  39   7.638  -3.457   5.261
  285    HA   LEU  39           HA       LEU  39   9.817  -1.740   4.752
  286    HB2  LEU  39           2HB      LEU  39   6.880  -1.227   5.211
  287    HB3  LEU  39           1HB      LEU  39   8.008   0.077   4.858
  288    HG   LEU  39           HG       LEU  39   7.756  -2.380   3.102
  289   HD11  LEU  39          1HD1      LEU  39   6.344  -0.942   1.623
  290   HD12  LEU  39          2HD1      LEU  39   6.309   0.275   2.899
  291   HD13  LEU  39          3HD1      LEU  39   5.573  -1.305   3.169
  292   HD21  LEU  39          3HD2      LEU  39   8.598  -0.513   1.421
  293   HD22  LEU  39          1HD2      LEU  39   9.750  -1.300   2.496
  294   HD23  LEU  39          2HD2      LEU  39   9.130   0.302   2.888
  295    H    ASP  40           H        ASP  40  11.101  -0.683   6.073
  296    HA   ASP  40           HA       ASP  40  10.865  -0.804   8.890
  297    HB2  ASP  40           2HB      ASP  40  13.021  -0.532   7.700
  298    HB3  ASP  40           1HB      ASP  40  12.532   1.095   7.225
  299    H    GLN  41           H        GLN  41   8.505   0.024   8.747
  300    HA   GLN  41           HA       GLN  41   8.554   2.885   9.428
  301    HB2  GLN  41           2HB      GLN  41   7.782   2.451   7.000
  302    HB3  GLN  41           1HB      GLN  41   6.340   1.739   7.719
  303    HG2  GLN  41           2HG      GLN  41   5.709   3.797   8.743
  304    HG3  GLN  41           1HG      GLN  41   7.288   4.518   8.458
  305   HE21  GLN  41          1HE2      GLN  41   4.933   5.818   7.545
  306   HE22  GLN  41          2HE2      GLN  41   4.909   5.769   5.850
  307    H    ASN  42           H        ASN  42   6.288   3.479  10.378
  308    HA   ASN  42           HA       ASN  42   5.058   1.236  11.833
  309    HB2  ASN  42           2HB      ASN  42   5.953   3.729  13.281
  310    HB3  ASN  42           1HB      ASN  42   5.373   2.214  13.973
  311   HD21  ASN  42          1HD2      ASN  42   8.008   3.283  11.733
  312   HD22  ASN  42          2HD2      ASN  42   9.183   2.263  12.410
  313    HA   PRO  43           HA       PRO  43   2.085   4.534  10.503
  314    HB2  PRO  43           2HB      PRO  43   0.727   3.174   8.584
  315    HB3  PRO  43           1HB      PRO  43   2.264   3.997   8.253
  316    HG2  PRO  43           2HG      PRO  43   1.719   1.097   8.624
  317    HG3  PRO  43           1HG      PRO  43   2.908   1.898   7.582
  318    HD2  PRO  43           2HD      PRO  43   3.444   0.738  10.107
  319    HD3  PRO  43           1HD      PRO  43   4.519   1.842   9.225
  320    H    THR  44           H        THR  44   0.029   4.756  11.327
  321    HA   THR  44           HA       THR  44  -0.899   2.849  13.212
  322    HB   THR  44           HB       THR  44  -2.916   4.331  13.321
  323    HG1  THR  44           1HG      THR  44  -2.307   4.904  10.926
  324   HG21  THR  44          3HG2      THR  44  -0.191   5.656  13.354
  325   HG22  THR  44          1HG2      THR  44  -0.981   4.842  14.703
  326   HG23  THR  44          2HG2      THR  44  -1.644   6.350  14.073
  327    H    GLU  45           H        GLU  45  -2.289   1.195  13.020
  328    HA   GLU  45           HA       GLU  45  -3.065   0.305  10.415
  329    HB2  GLU  45           2HB      GLU  45  -2.505  -1.241  12.280
  330    HB3  GLU  45           1HB      GLU  45  -3.967  -0.720  13.118
  331    HG2  GLU  45           2HG      GLU  45  -5.348  -1.518  11.260
  332    HG3  GLU  45           1HG      GLU  45  -3.903  -1.980  10.362
  333    H    GLU  46           H        GLU  46  -4.684   1.938  13.071
  334    HA   GLU  46           HA       GLU  46  -7.343   1.607  12.384
  335    HB2  GLU  46           2HB      GLU  46  -5.941   4.048  13.497
  336    HB3  GLU  46           1HB      GLU  46  -7.694   3.870  13.420
  337    HG2  GLU  46           2HG      GLU  46  -7.593   1.881  14.828
  338    HG3  GLU  46           1HG      GLU  46  -5.831   1.944  14.838
  339    H    GLU  47           H        GLU  47  -5.020   3.979  11.114
  340    HA   GLU  47           HA       GLU  47  -6.766   5.426   9.487
  341    HB2  GLU  47           2HB      GLU  47  -3.833   4.785   9.145
  342    HB3  GLU  47           1HB      GLU  47  -4.707   5.929   8.125
  343    HG2  GLU  47           2HG      GLU  47  -5.293   7.275  10.078
  344    HG3  GLU  47           1HG      GLU  47  -4.519   6.106  11.146
  345    H    LEU  48           H        LEU  48  -4.576   2.795   8.472
  346    HA   LEU  48           HA       LEU  48  -5.357   2.450   5.873
  347    HB2  LEU  48           2HB      LEU  48  -4.487   0.486   7.979
  348    HB3  LEU  48           1HB      LEU  48  -4.965  -0.104   6.388
  349    HG   LEU  48           HG       LEU  48  -3.288   1.297   5.314
  350   HD11  LEU  48          1HD1      LEU  48  -3.274   3.251   6.693
  351   HD12  LEU  48          2HD1      LEU  48  -1.665   2.543   6.845
  352   HD13  LEU  48          3HD1      LEU  48  -2.853   2.317   8.127
  353   HD21  LEU  48          3HD2      LEU  48  -2.109  -0.143   7.714
  354   HD22  LEU  48          1HD2      LEU  48  -1.266   0.233   6.211
  355   HD23  LEU  48          2HD2      LEU  48  -2.598  -0.922   6.209
  356    H    GLN  49           H        GLN  49  -6.973   1.068   8.734
  357    HA   GLN  49           HA       GLN  49  -8.972  -0.364   7.373
  358    HB2  GLN  49           2HB      GLN  49  -9.039   0.997  10.076
  359    HB3  GLN  49           1HB      GLN  49 -10.261  -0.137   9.500
  360    HG2  GLN  49           2HG      GLN  49  -8.571  -1.891   9.270
  361    HG3  GLN  49           1HG      GLN  49  -7.306  -0.763   9.760
  362   HE21  GLN  49          1HE2      GLN  49  -7.244  -2.779  11.435
  363   HE22  GLN  49          2HE2      GLN  49  -8.103  -2.503  12.874
  364    H    ASP  50           H        ASP  50  -8.988   2.989   8.583
  365    HA   ASP  50           HA       ASP  50 -11.609   3.630   7.709
  366    HB2  ASP  50           2HB      ASP  50  -9.181   5.324   8.284
  367    HB3  ASP  50           1HB      ASP  50 -10.755   6.000   7.863
  368    H    MET  51           H        MET  51  -8.433   4.277   6.218
  369    HA   MET  51           HA       MET  51  -9.458   5.516   3.897
  370    HB2  MET  51           2HB      MET  51  -6.840   4.135   4.494
  371    HB3  MET  51           1HB      MET  51  -7.175   4.890   2.938
  372    HG2  MET  51           2HG      MET  51  -7.400   6.336   5.590
  373    HG3  MET  51           1HG      MET  51  -5.968   6.389   4.565
  374    HE1  MET  51           3HE      MET  51  -6.730   8.521   1.654
  375    HE2  MET  51           1HE      MET  51  -6.466   6.776   1.763
  376    HE3  MET  51           2HE      MET  51  -5.557   7.875   2.797
  377    H    ILE  52           H        ILE  52  -8.002   2.272   4.129
  378    HA   ILE  52           HA       ILE  52  -8.605   1.306   1.650
  379    HB   ILE  52           HB       ILE  52  -8.747  -0.131   4.306
  380   HG12  ILE  52          2HG1      ILE  52  -6.547   0.822   3.725
  381   HG13  ILE  52          1HG1      ILE  52  -6.500  -0.935   3.687
  382   HG21  ILE  52          1HG2      ILE  52  -8.396  -2.210   2.860
  383   HG22  ILE  52          2HG2      ILE  52  -8.910  -1.220   1.493
  384   HG23  ILE  52          3HG2      ILE  52 -10.012  -1.503   2.840
  385   HD11  ILE  52          3HD       ILE  52  -5.440  -0.517   1.696
  386   HD12  ILE  52          1HD       ILE  52  -6.246   1.028   1.462
  387   HD13  ILE  52          2HD       ILE  52  -7.091  -0.474   1.088
  388    H    SER  53           H        SER  53 -10.800   1.290   4.462
  389    HA   SER  53           HA       SER  53 -12.988   0.150   3.008
  390    HB2  SER  53           2HB      SER  53 -12.795  -0.025   5.466
  391    HB3  SER  53           1HB      SER  53 -12.991   1.721   5.599
  392    HG   SER  53           HG       SER  53 -14.862   0.108   4.229
  393    H    GLU  54           H        GLU  54 -11.702   3.338   3.339
  394    HA   GLU  54           HA       GLU  54 -14.157   4.528   2.169
  395    HB2  GLU  54           2HB      GLU  54 -13.165   5.470   4.337
  396    HB3  GLU  54           1HB      GLU  54 -11.828   6.051   3.350
  397    HG2  GLU  54           2HG      GLU  54 -13.259   7.486   2.084
  398    HG3  GLU  54           1HG      GLU  54 -14.712   6.704   2.698
  399    H    VAL  55           H        VAL  55 -11.542   3.103   1.032
  400    HA   VAL  55           HA       VAL  55 -11.127   5.068  -1.162
  401    HB   VAL  55           HB       VAL  55  -9.140   3.179   0.120
  402   HG11  VAL  55          1HG1      VAL  55  -7.573   4.267  -1.605
  403   HG12  VAL  55          2HG1      VAL  55  -9.035   4.754  -2.460
  404   HG13  VAL  55          3HG1      VAL  55  -8.688   3.044  -2.213
  405   HG21  VAL  55          3HG2      VAL  55  -9.671   5.485   1.132
  406   HG22  VAL  55          1HG2      VAL  55  -8.955   6.166  -0.327
  407   HG23  VAL  55          2HG2      VAL  55  -7.981   5.167   0.748
  408    H    ASP  56           H        ASP  56 -11.346   1.660  -0.222
  409    HA   ASP  56           HA       ASP  56 -11.016   0.467  -2.715
  410    HB2  ASP  56           2HB      ASP  56 -11.287  -0.657  -0.433
  411    HB3  ASP  56           1HB      ASP  56 -13.025  -0.478  -0.671
  412    H    ALA  57           H        ALA  57 -11.981   1.873  -4.254
  413    HA   ALA  57           HA       ALA  57 -14.779   2.465  -4.229
  414    HB1  ALA  57           1HB      ALA  57 -12.736   2.583  -6.459
  415    HB2  ALA  57           2HB      ALA  57 -13.238   3.918  -5.421
  416    HB3  ALA  57           3HB      ALA  57 -14.378   3.217  -6.569
  417    H    ASP  58           H        ASP  58 -12.769   0.209  -6.114
  418    HA   ASP  58           HA       ASP  58 -14.657  -0.982  -7.718
  419    HB2  ASP  58           2HB      ASP  58 -12.507  -2.503  -6.237
  420    HB3  ASP  58           1HB      ASP  58 -13.241  -2.920  -7.783
  421    H    GLY  59           H        GLY  59 -14.236  -1.308  -4.269
  422    HA2  GLY  59           2HA      GLY  59 -15.711  -2.144  -2.689
  423    HA3  GLY  59           1HA      GLY  59 -16.817  -2.557  -3.996
  424    H    ASN  60           H        ASN  60 -13.710  -3.718  -4.595
  425    HA   ASN  60           HA       ASN  60 -14.561  -6.465  -4.055
  426    HB2  ASN  60           2HB      ASN  60 -12.475  -7.054  -5.282
  427    HB3  ASN  60           1HB      ASN  60 -13.563  -6.032  -6.219
  428   HD21  ASN  60          1HD2      ASN  60 -11.093  -5.842  -7.187
  429   HD22  ASN  60          2HD2      ASN  60 -10.274  -4.458  -6.645
  430    H    GLY  61           H        GLY  61 -13.091  -4.083  -2.317
  431    HA2  GLY  61           2HA      GLY  61 -11.901  -4.077  -0.348
  432    HA3  GLY  61           1HA      GLY  61 -12.245  -5.801  -0.237
  433    H    THR  62           H        THR  62 -10.422  -3.976  -2.685
  434    HA   THR  62           HA       THR  62  -7.936  -5.351  -1.869
  435    HB   THR  62           HB       THR  62  -7.443  -5.898  -4.206
  436    HG1  THR  62           1HG      THR  62  -8.715  -4.217  -5.115
  437   HG21  THR  62          3HG2      THR  62  -8.817  -7.433  -2.660
  438   HG22  THR  62          1HG2      THR  62  -8.884  -7.773  -4.389
  439   HG23  THR  62          2HG2      THR  62 -10.217  -6.925  -3.605
  440    H    ILE  63           H        ILE  63  -6.016  -4.304  -2.579
  441    HA   ILE  63           HA       ILE  63  -6.338  -1.408  -2.876
  442    HB   ILE  63           HB       ILE  63  -3.919  -3.148  -2.358
  443   HG12  ILE  63          2HG1      ILE  63  -5.233  -1.109  -0.553
  444   HG13  ILE  63          1HG1      ILE  63  -5.700  -2.810  -0.546
  445   HG21  ILE  63          1HG2      ILE  63  -4.228  -0.160  -2.699
  446   HG22  ILE  63          2HG2      ILE  63  -3.107  -1.238  -3.531
  447   HG23  ILE  63          3HG2      ILE  63  -2.871  -0.870  -1.822
  448   HD11  ILE  63          3HD       ILE  63  -3.947  -2.227   1.173
  449   HD12  ILE  63          1HD       ILE  63  -2.853  -1.849  -0.156
  450   HD13  ILE  63          2HD       ILE  63  -3.458  -3.492   0.050
  451    H    GLU  64           H        GLU  64  -5.226  -0.216  -4.497
  452    HA   GLU  64           HA       GLU  64  -4.203  -1.682  -6.830
  453    HB2  GLU  64           2HB      GLU  64  -6.389   0.389  -7.105
  454    HB3  GLU  64           1HB      GLU  64  -5.699  -0.625  -8.374
  455    HG2  GLU  64           2HG      GLU  64  -6.529  -2.638  -7.096
  456    HG3  GLU  64           1HG      GLU  64  -7.378  -1.530  -6.021
  457    H    PHE  65           H        PHE  65  -3.677   0.145  -8.579
  458    HA   PHE  65           HA       PHE  65  -1.540   1.672  -7.623
  459    HB2  PHE  65           2HB      PHE  65  -3.278   2.031 -10.071
  460    HB3  PHE  65           1HB      PHE  65  -1.806   2.954  -9.774
  461    HD1  PHE  65           1HD      PHE  65   0.396   1.813  -9.661
  462    HD2  PHE  65           2HD      PHE  65  -3.197  -0.292 -10.716
  463    HE1  PHE  65           1HE      PHE  65   1.755  -0.057 -10.559
  464    HE2  PHE  65           2HE      PHE  65  -1.837  -2.162 -11.615
  465    HZ   PHE  65           HZ       PHE  65   0.639  -2.044 -11.535
  466    H    ASP  66           H        ASP  66  -4.372   3.288  -9.011
  467    HA   ASP  66           HA       ASP  66  -4.043   5.745  -7.816
  468    HB2  ASP  66           2HB      ASP  66  -5.769   5.337  -9.497
  469    HB3  ASP  66           1HB      ASP  66  -6.656   4.317  -8.363
  470    H    GLU  67           H        GLU  67  -6.022   3.094  -6.477
  471    HA   GLU  67           HA       GLU  67  -6.764   4.290  -4.089
  472    HB2  GLU  67           2HB      GLU  67  -6.021   1.402  -4.616
  473    HB3  GLU  67           1HB      GLU  67  -6.850   1.970  -3.167
  474    HG2  GLU  67           2HG      GLU  67  -8.695   2.836  -4.543
  475    HG3  GLU  67           1HG      GLU  67  -7.859   2.315  -6.004
  476    H    PHE  68           H        PHE  68  -3.707   2.693  -4.888
  477    HA   PHE  68           HA       PHE  68  -2.643   2.886  -2.237
  478    HB2  PHE  68           2HB      PHE  68  -1.830   1.244  -3.922
  479    HB3  PHE  68           1HB      PHE  68  -1.172   2.578  -4.869
  480    HD1  PHE  68           1HD      PHE  68  -0.962   0.831  -1.593
  481    HD2  PHE  68           2HD      PHE  68   0.897   3.618  -4.283
  482    HE1  PHE  68           1HE      PHE  68   1.091   0.801  -0.206
  483    HE2  PHE  68           2HE      PHE  68   2.952   3.586  -2.895
  484    HZ   PHE  68           HZ       PHE  68   3.049   2.178  -0.855
  485    H    LEU  69           H        LEU  69  -2.321   4.845  -5.164
  486    HA   LEU  69           HA       LEU  69  -0.430   6.687  -4.153
  487    HB2  LEU  69           2HB      LEU  69  -2.589   7.082  -6.241
  488    HB3  LEU  69           1HB      LEU  69  -1.205   8.144  -5.990
  489    HG   LEU  69           HG       LEU  69  -1.001   5.195  -6.684
  490   HD11  LEU  69          1HD1      LEU  69  -1.901   6.272  -8.608
  491   HD12  LEU  69          2HD1      LEU  69  -0.166   6.176  -8.902
  492   HD13  LEU  69          3HD1      LEU  69  -0.887   7.698  -8.378
  493   HD21  LEU  69          3HD2      LEU  69   1.034   5.732  -5.649
  494   HD22  LEU  69          1HD2      LEU  69   0.993   7.408  -6.200
  495   HD23  LEU  69          2HD2      LEU  69   1.393   6.114  -7.331
  496    H    SER  70           H        SER  70  -3.944   6.545  -4.001
  497    HA   SER  70           HA       SER  70  -4.388   9.138  -2.966
  498    HB2  SER  70           2HB      SER  70  -6.555   8.236  -2.195
  499    HB3  SER  70           1HB      SER  70  -6.214   7.789  -3.864
  500    HG   SER  70           HG       SER  70  -5.149   5.964  -2.237
  501    H    LEU  71           H        LEU  71  -3.813   6.010  -1.402
  502    HA   LEU  71           HA       LEU  71  -4.184   6.783   1.257
  503    HB2  LEU  71           2HB      LEU  71  -3.956   4.445   0.570
  504    HB3  LEU  71           1HB      LEU  71  -2.273   4.720   0.133
  505    HG   LEU  71           HG       LEU  71  -2.954   5.563   2.911
  506   HD11  LEU  71          1HD1      LEU  71  -3.136   2.663   2.071
  507   HD12  LEU  71          2HD1      LEU  71  -4.343   3.612   2.938
  508   HD13  LEU  71          3HD1      LEU  71  -2.831   3.169   3.732
  509   HD21  LEU  71          3HD2      LEU  71  -0.817   3.629   1.993
  510   HD22  LEU  71          1HD2      LEU  71  -0.803   4.686   3.404
  511   HD23  LEU  71          2HD2      LEU  71  -0.638   5.369   1.787
  512    H    MET  72           H        MET  72  -1.338   6.989  -0.824
  513    HA   MET  72           HA       MET  72   0.420   7.917   1.228
  514    HB2  MET  72           2HB      MET  72   0.597   8.133  -1.782
  515    HB3  MET  72           1HB      MET  72   1.901   8.528  -0.663
  516    HG2  MET  72           2HG      MET  72   0.538   5.824  -0.766
  517    HG3  MET  72           1HG      MET  72   2.040   6.194  -1.612
  518    HE1  MET  72           3HE      MET  72   4.216   6.000  -0.746
  519    HE2  MET  72           1HE      MET  72   4.736   6.398   0.896
  520    HE3  MET  72           2HE      MET  72   3.997   7.632  -0.120
  521    H    ALA  73           H        ALA  73  -1.530   9.494  -1.268
  522    HA   ALA  73           HA       ALA  73  -0.682  12.101  -1.096
  523    HB1  ALA  73           1HB      ALA  73  -2.911  12.768  -1.800
  524    HB2  ALA  73           2HB      ALA  73  -3.574  11.226  -1.261
  525    HB3  ALA  73           3HB      ALA  73  -2.461  11.277  -2.627
  526    H    LYS  74           H        LYS  74  -2.991  10.450   1.029
  527    HA   LYS  74           HA       LYS  74  -3.345  12.781   2.711
  528    HB2  LYS  74           2HB      LYS  74  -4.189   9.899   3.098
  529    HB3  LYS  74           1HB      LYS  74  -4.672  11.241   4.132
  530    HG2  LYS  74           2HG      LYS  74  -5.512  12.352   1.931
  531    HG3  LYS  74           1HG      LYS  74  -5.396  10.733   1.250
  532    HD2  LYS  74           2HD      LYS  74  -7.598  10.703   2.010
  533    HD3  LYS  74           1HD      LYS  74  -6.770  10.054   3.422
  534    HE2  LYS  74           2HE      LYS  74  -6.717  12.319   4.423
  535    HE3  LYS  74           1HE      LYS  74  -7.558  12.957   3.011
  536    HZ1  LYS  74           3HZ      LYS  74  -9.419  12.464   4.096
  537    HZ2  LYS  74           1HZ      LYS  74  -8.606  11.539   5.262
  538    HZ3  LYS  74           2HZ      LYS  74  -9.072  10.829   3.791
  539    H    LYS  75           H        LYS  75  -1.822   9.569   3.118
  540    HA   LYS  75           HA       LYS  75  -0.833   9.982   5.711
  541    HB2  LYS  75           2HB      LYS  75  -0.895   7.784   4.515
  542    HB3  LYS  75           1HB      LYS  75   0.454   8.334   3.522
  543    HG2  LYS  75           2HG      LYS  75   1.814   8.659   5.570
  544    HG3  LYS  75           1HG      LYS  75   0.471   8.049   6.539
  545    HD2  LYS  75           2HD      LYS  75   0.562   5.905   5.337
  546    HD3  LYS  75           1HD      LYS  75   1.889   6.511   4.345
  547    HE2  LYS  75           2HE      LYS  75   3.242   6.843   6.407
  548    HE3  LYS  75           1HE      LYS  75   1.928   6.143   7.353
  549    HZ1  LYS  75           3HZ      LYS  75   2.124   4.143   5.907
  550    HZ2  LYS  75           1HZ      LYS  75   3.473   4.426   6.896
  551    HZ3  LYS  75           2HZ      LYS  75   3.537   4.818   5.245
  552    H    VAL  76           H        VAL  76   0.918  10.294   2.615
  553    HA   VAL  76           HA       VAL  76   3.264  11.394   3.709
  554    HB   VAL  76           HB       VAL  76   2.116  11.825   0.941
  555   HG11  VAL  76          1HG1      VAL  76   4.555  12.091   0.371
  556   HG12  VAL  76          2HG1      VAL  76   4.905  12.090   2.098
  557   HG13  VAL  76          3HG1      VAL  76   3.921  13.375   1.399
  558   HG21  VAL  76          3HG2      VAL  76   3.975   9.688   2.032
  559   HG22  VAL  76          1HG2      VAL  76   3.543   9.890   0.334
  560   HG23  VAL  76          2HG2      VAL  76   2.310   9.435   1.511
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1  -1.035  17.874   1.822
    2    H2   ALA   1           2HT      ALA   1  -0.988  16.238   1.366
    3    H3   ALA   1           3HT      ALA   1  -2.477  17.050   1.475
    4    HA   ALA   1           HA       ALA   1  -1.959  16.888  -0.815
    5    HB1  ALA   1           2HB      ALA   1  -2.883  19.050  -0.050
    6    HB2  ALA   1           3HB      ALA   1  -1.789  19.269  -1.416
    7    HB3  ALA   1           1HB      ALA   1  -1.245  19.649   0.218
    8    H    ASP   2           H        ASP   2  -0.223  15.625  -1.402
    9    HA   ASP   2           HA       ASP   2   2.186  17.028  -2.155
   10    HB2  ASP   2           2HB      ASP   2   2.562  16.403   0.264
   11    HB3  ASP   2           1HB      ASP   2   2.461  14.714  -0.230
   12    H    ILE   3           H        ILE   3   3.832  15.206  -2.969
   13    HA   ILE   3           HA       ILE   3   2.319  13.085  -4.376
   14    HB   ILE   3           HB       ILE   3   4.291  15.014  -5.629
   15   HG12  ILE   3          2HG1      ILE   3   1.384  14.471  -6.303
   16   HG13  ILE   3          1HG1      ILE   3   1.907  15.798  -5.267
   17   HG21  ILE   3          1HG2      ILE   3   4.690  12.856  -6.584
   18   HG22  ILE   3          2HG2      ILE   3   3.645  13.701  -7.725
   19   HG23  ILE   3          3HG2      ILE   3   2.967  12.488  -6.641
   20   HD11  ILE   3          3HD       ILE   3   3.337  16.649  -7.113
   21   HD12  ILE   3          1HD       ILE   3   1.631  16.602  -7.562
   22   HD13  ILE   3          2HD       ILE   3   2.734  15.356  -8.150
   23    H    LEU   4           H        LEU   4   3.549  11.270  -4.960
   24    HA   LEU   4           HA       LEU   4   5.500  10.439  -3.133
   25    HB2  LEU   4           2HB      LEU   4   5.121   9.394  -5.942
   26    HB3  LEU   4           1HB      LEU   4   5.798   8.525  -4.564
   27    HG   LEU   4           HG       LEU   4   2.954   9.557  -4.780
   28   HD11  LEU   4          1HD1      LEU   4   4.198   6.813  -5.037
   29   HD12  LEU   4          2HD1      LEU   4   3.169   7.654  -6.196
   30   HD13  LEU   4          3HD1      LEU   4   2.484   7.042  -4.691
   31   HD21  LEU   4          3HD2      LEU   4   4.520   8.216  -2.574
   32   HD22  LEU   4          1HD2      LEU   4   2.775   7.982  -2.691
   33   HD23  LEU   4          2HD2      LEU   4   3.432   9.602  -2.476
   34    H    SER   5           H        SER   5   7.738   9.813  -3.633
   35    HA   SER   5           HA       SER   5   9.125  11.994  -5.043
   36    HB2  SER   5           2HB      SER   5  10.278  11.830  -3.078
   37    HB3  SER   5           1HB      SER   5   9.730  10.183  -2.789
   38    HG   SER   5           HG       SER   5  11.831  11.086  -4.463
   39    H    GLU   6           H        GLU   6   9.974  11.693  -7.007
   40    HA   GLU   6           HA       GLU   6   9.637   9.642  -8.703
   41    HB2  GLU   6           2HB      GLU   6  10.759  11.777  -9.274
   42    HB3  GLU   6           1HB      GLU   6  12.227  11.191  -8.488
   43    HG2  GLU   6           2HG      GLU   6  12.340   9.304 -10.054
   44    HG3  GLU   6           1HG      GLU   6  10.837   9.826 -10.813
   45    H    GLU   7           H        GLU   7  12.832   9.930  -7.164
   46    HA   GLU   7           HA       GLU   7  13.771   7.403  -7.698
   47    HB2  GLU   7           2HB      GLU   7  14.225   9.129  -5.257
   48    HB3  GLU   7           1HB      GLU   7  15.166   7.684  -5.623
   49    HG2  GLU   7           2HG      GLU   7  15.877   8.659  -7.756
   50    HG3  GLU   7           1HG      GLU   7  14.892  10.088  -7.448
   51    H    GLN   8           H        GLN   8  11.417   8.357  -5.293
   52    HA   GLN   8           HA       GLN   8  11.521   5.842  -3.864
   53    HB2  GLN   8           2HB      GLN   8  10.814   8.118  -2.903
   54    HB3  GLN   8           1HB      GLN   8   9.280   7.859  -3.728
   55    HG2  GLN   8           2HG      GLN   8   8.997   5.717  -2.542
   56    HG3  GLN   8           1HG      GLN   8  10.522   5.989  -1.700
   57   HE21  GLN   8          1HE2      GLN   8   7.976   5.753  -0.325
   58   HE22  GLN   8          2HE2      GLN   8   7.653   7.251   0.406
   59    H    ILE   9           H        ILE   9   9.825   7.148  -6.606
   60    HA   ILE   9           HA       ILE   9   7.625   5.336  -6.569
   61    HB   ILE   9           HB       ILE   9   8.131   7.587  -7.990
   62   HG12  ILE   9          2HG1      ILE   9   6.248   6.858  -9.522
   63   HG13  ILE   9          1HG1      ILE   9   6.369   5.256  -8.800
   64   HG21  ILE   9          1HG2      ILE   9   8.634   7.186 -10.277
   65   HG22  ILE   9          2HG2      ILE   9   8.490   5.440 -10.086
   66   HG23  ILE   9          3HG2      ILE   9   9.854   6.288  -9.382
   67   HD11  ILE   9          3HD       ILE   9   6.138   7.493  -6.853
   68   HD12  ILE   9          1HD       ILE   9   5.353   5.913  -6.867
   69   HD13  ILE   9          2HD       ILE   9   4.728   7.217  -7.870
   70    H    VAL  10           H        VAL  10  10.874   5.246  -7.899
   71    HA   VAL  10           HA       VAL  10  10.449   2.812  -9.371
   72    HB   VAL  10           HB       VAL  10  13.035   4.150  -8.542
   73   HG11  VAL  10          1HG1      VAL  10  12.376   1.925 -10.488
   74   HG12  VAL  10          2HG1      VAL  10  13.471   1.859  -9.106
   75   HG13  VAL  10          3HG1      VAL  10  13.899   2.814 -10.526
   76   HG21  VAL  10          3HG2      VAL  10  12.862   4.719 -11.136
   77   HG22  VAL  10          1HG2      VAL  10  12.031   5.723  -9.951
   78   HG23  VAL  10          2HG2      VAL  10  11.134   4.504 -10.858
   79    H    ASP  11           H        ASP  11  12.008   3.659  -6.299
   80    HA   ASP  11           HA       ASP  11  13.015   1.163  -5.582
   81    HB2  ASP  11           2HB      ASP  11  13.496   3.187  -4.314
   82    HB3  ASP  11           1HB      ASP  11  11.810   3.294  -3.809
   83    H    PHE  12           H        PHE  12   9.807   2.546  -4.851
   84    HA   PHE  12           HA       PHE  12   8.841   0.222  -3.546
   85    HB2  PHE  12           2HB      PHE  12   7.544   2.678  -4.718
   86    HB3  PHE  12           1HB      PHE  12   6.541   1.344  -4.154
   87    HD1  PHE  12           1HD      PHE  12   9.613   3.161  -2.963
   88    HD2  PHE  12           2HD      PHE  12   5.741   1.582  -1.973
   89    HE1  PHE  12           1HE      PHE  12   9.883   3.959  -0.633
   90    HE2  PHE  12           2HE      PHE  12   6.012   2.382   0.357
   91    HZ   PHE  12           HZ       PHE  12   8.082   3.569   1.027
   92    H    LYS  13           H        LYS  13   8.547   1.404  -6.889
   93    HA   LYS  13           HA       LYS  13   6.803  -0.545  -7.859
   94    HB2  LYS  13           2HB      LYS  13   7.520   1.471  -9.113
   95    HB3  LYS  13           1HB      LYS  13   9.113   0.746  -9.327
   96    HG2  LYS  13           2HG      LYS  13   8.141  -1.127 -10.550
   97    HG3  LYS  13           1HG      LYS  13   6.515  -0.504 -10.262
   98    HD2  LYS  13           2HD      LYS  13   7.087   1.549 -11.517
   99    HD3  LYS  13           1HD      LYS  13   8.697   0.900 -11.833
  100    HE2  LYS  13           2HE      LYS  13   6.083  -0.368 -12.706
  101    HE3  LYS  13           1HE      LYS  13   7.201   0.506 -13.754
  102    HZ1  LYS  13           3HZ      LYS  13   7.954  -1.592 -14.081
  103    HZ2  LYS  13           1HZ      LYS  13   7.457  -2.144 -12.556
  104    HZ3  LYS  13           2HZ      LYS  13   8.876  -1.221 -12.703
  105    H    GLU  14           H        GLU  14  10.340  -0.585  -7.544
  106    HA   GLU  14           HA       GLU  14  10.834  -3.022  -8.830
  107    HB2  GLU  14           2HB      GLU  14  12.546  -1.326  -8.056
  108    HB3  GLU  14           1HB      GLU  14  12.346  -1.980  -6.431
  109    HG2  GLU  14           2HG      GLU  14  14.214  -3.128  -7.403
  110    HG3  GLU  14           1HG      GLU  14  12.868  -4.266  -7.401
  111    H    ALA  15           H        ALA  15  10.139  -2.316  -5.415
  112    HA   ALA  15           HA       ALA  15  10.280  -5.029  -4.538
  113    HB1  ALA  15           1HB      ALA  15   9.176  -4.192  -2.505
  114    HB2  ALA  15           2HB      ALA  15   8.863  -2.655  -3.311
  115    HB3  ALA  15           3HB      ALA  15  10.521  -3.157  -2.982
  116    H    PHE  16           H        PHE  16   7.764  -3.009  -5.907
  117    HA   PHE  16           HA       PHE  16   5.545  -4.653  -5.200
  118    HB2  PHE  16           2HB      PHE  16   5.431  -2.236  -5.913
  119    HB3  PHE  16           1HB      PHE  16   5.741  -2.779  -7.563
  120    HD1  PHE  16           1HD      PHE  16   4.158  -4.481  -8.611
  121    HD2  PHE  16           2HD      PHE  16   3.257  -2.385  -4.970
  122    HE1  PHE  16           1HE      PHE  16   1.756  -5.035  -8.885
  123    HE2  PHE  16           2HE      PHE  16   0.857  -2.938  -5.247
  124    HZ   PHE  16           HZ       PHE  16   0.106  -4.263  -7.202
  125    H    GLY  17           H        GLY  17   7.445  -4.314  -8.198
  126    HA2  GLY  17           2HA      GLY  17   6.066  -6.316  -9.653
  127    HA3  GLY  17           1HA      GLY  17   7.672  -5.697 -10.022
  128    H    LEU  18           H        LEU  18   8.720  -6.435  -7.350
  129    HA   LEU  18           HA       LEU  18   9.530  -9.105  -7.999
  130    HB2  LEU  18           2HB      LEU  18  10.012  -7.294  -5.634
  131    HB3  LEU  18           1HB      LEU  18  10.649  -8.933  -5.697
  132    HG   LEU  18           HG       LEU  18  11.132  -6.953  -7.935
  133   HD11  LEU  18          1HD1      LEU  18  13.338  -6.503  -6.854
  134   HD12  LEU  18          2HD1      LEU  18  12.796  -7.406  -5.440
  135   HD13  LEU  18          3HD1      LEU  18  11.978  -5.913  -5.898
  136   HD21  LEU  18          3HD2      LEU  18  13.254  -8.471  -8.073
  137   HD22  LEU  18          1HD2      LEU  18  11.729  -9.130  -8.652
  138   HD23  LEU  18          2HD2      LEU  18  12.342  -9.589  -7.066
  139    H    PHE  19           H        PHE  19   7.360  -7.666  -5.610
  140    HA   PHE  19           HA       PHE  19   6.691 -10.297  -4.515
  141    HB2  PHE  19           2HB      PHE  19   6.910  -8.131  -3.136
  142    HB3  PHE  19           1HB      PHE  19   5.364  -7.667  -3.843
  143    HD1  PHE  19           1HD      PHE  19   7.004 -10.568  -2.133
  144    HD2  PHE  19           2HD      PHE  19   3.387  -8.341  -2.769
  145    HE1  PHE  19           1HE      PHE  19   5.839 -11.991  -0.474
  146    HE2  PHE  19           2HE      PHE  19   2.220  -9.765  -1.108
  147    HZ   PHE  19           HZ       PHE  19   3.446 -11.591   0.040
  148    H    ASP  20           H        ASP  20   5.636  -8.257  -7.023
  149    HA   ASP  20           HA       ASP  20   3.023  -9.665  -7.141
  150    HB2  ASP  20           2HB      ASP  20   3.014  -7.134  -6.952
  151    HB3  ASP  20           1HB      ASP  20   3.745  -7.099  -8.556
  152    H    LYS  21           H        LYS  21   3.480 -11.450  -8.372
  153    HA   LYS  21           HA       LYS  21   4.883 -11.039 -10.951
  154    HB2  LYS  21           2HB      LYS  21   4.474 -13.530  -9.282
  155    HB3  LYS  21           1HB      LYS  21   5.208 -13.512 -10.888
  156    HG2  LYS  21           2HG      LYS  21   7.037 -12.166 -10.143
  157    HG3  LYS  21           1HG      LYS  21   6.233 -11.797  -8.617
  158    HD2  LYS  21           2HD      LYS  21   7.935 -13.492  -8.218
  159    HD3  LYS  21           1HD      LYS  21   6.342 -14.223  -8.022
  160    HE2  LYS  21           2HE      LYS  21   6.465 -15.323 -10.120
  161    HE3  LYS  21           1HE      LYS  21   7.812 -14.319 -10.660
  162    HZ1  LYS  21           3HZ      LYS  21   9.119 -15.317  -8.803
  163    HZ2  LYS  21           1HZ      LYS  21   8.694 -16.405 -10.031
  164    HZ3  LYS  21           2HZ      LYS  21   7.844 -16.412  -8.561
  165    H    ASP  22           H        ASP  22   1.972 -12.239  -9.405
  166    HA   ASP  22           HA       ASP  22   0.725 -13.697 -11.341
  167    HB2  ASP  22           2HB      ASP  22  -1.427 -12.743 -10.493
  168    HB3  ASP  22           1HB      ASP  22  -0.345 -13.293  -9.215
  169    H    GLY  23           H        GLY  23   1.743 -10.463 -11.589
  170    HA2  GLY  23           2HA      GLY  23   1.678  -8.966 -13.339
  171    HA3  GLY  23           1HA      GLY  23   0.958 -10.240 -14.318
  172    H    ASP  24           H        ASP  24  -1.032 -10.276 -11.836
  173    HA   ASP  24           HA       ASP  24  -3.228  -9.127 -13.083
  174    HB2  ASP  24           2HB      ASP  24  -4.347  -9.245 -10.954
  175    HB3  ASP  24           1HB      ASP  24  -3.281 -10.643 -11.083
  176    H    GLY  25           H        GLY  25  -0.552  -7.553 -11.769
  177    HA2  GLY  25           2HA      GLY  25  -0.046  -5.294 -11.728
  178    HA3  GLY  25           1HA      GLY  25  -1.667  -4.961 -12.332
  179    H    CYS  26           H        CYS  26  -3.458  -5.343 -10.684
  180    HA   CYS  26           HA       CYS  26  -2.929  -3.739  -8.389
  181    HB2  CYS  26           2HB      CYS  26  -5.312  -5.339  -9.314
  182    HB3  CYS  26           1HB      CYS  26  -5.310  -4.487  -7.770
  183    HG   CYS  26           HG       CYS  26  -4.895  -2.241  -9.110
  184    H    ILE  27           H        ILE  27  -3.647  -4.493  -6.155
  185    HA   ILE  27           HA       ILE  27  -2.924  -7.296  -5.625
  186    HB   ILE  27           HB       ILE  27  -1.615  -6.370  -3.601
  187   HG12  ILE  27          2HG1      ILE  27  -1.356  -3.911  -5.340
  188   HG13  ILE  27          1HG1      ILE  27  -2.602  -4.011  -4.098
  189   HG21  ILE  27          1HG2      ILE  27  -0.746  -6.323  -6.479
  190   HG22  ILE  27          2HG2      ILE  27  -0.213  -7.369  -5.166
  191   HG23  ILE  27          3HG2      ILE  27   0.369  -5.713  -5.257
  192   HD11  ILE  27          3HD       ILE  27  -0.467  -2.935  -3.312
  193   HD12  ILE  27          1HD       ILE  27   0.341  -4.483  -3.565
  194   HD13  ILE  27          2HD       ILE  27  -0.948  -4.347  -2.372
  195    H    THR  28           H        THR  28  -3.465  -7.914  -3.358
  196    HA   THR  28           HA       THR  28  -6.101  -6.885  -2.678
  197    HB   THR  28           HB       THR  28  -4.857  -9.032  -1.024
  198    HG1  THR  28           1HG      THR  28  -4.323  -9.130  -3.478
  199   HG21  THR  28          3HG2      THR  28  -7.426  -9.156  -2.589
  200   HG22  THR  28          1HG2      THR  28  -7.332  -8.193  -1.115
  201   HG23  THR  28          2HG2      THR  28  -7.027  -9.928  -1.055
  202    H    VAL  29           H        VAL  29  -6.275  -7.249  -0.010
  203    HA   VAL  29           HA       VAL  29  -4.882  -4.938   0.996
  204    HB   VAL  29           HB       VAL  29  -6.757  -6.867   2.385
  205   HG11  VAL  29          1HG1      VAL  29  -7.028  -4.880   3.943
  206   HG12  VAL  29          2HG1      VAL  29  -5.612  -4.174   3.162
  207   HG13  VAL  29          3HG1      VAL  29  -5.469  -5.698   4.040
  208   HG21  VAL  29          3HG2      VAL  29  -8.427  -5.073   1.999
  209   HG22  VAL  29          1HG2      VAL  29  -7.794  -5.702   0.477
  210   HG23  VAL  29          2HG2      VAL  29  -7.219  -4.154   1.099
  211    H    GLU  30           H        GLU  30  -4.771  -8.439   1.437
  212    HA   GLU  30           HA       GLU  30  -3.036  -8.490   3.671
  213    HB2  GLU  30           2HB      GLU  30  -3.533 -10.522   1.485
  214    HB3  GLU  30           1HB      GLU  30  -2.565 -10.840   2.925
  215    HG2  GLU  30           2HG      GLU  30  -4.478 -10.368   4.363
  216    HG3  GLU  30           1HG      GLU  30  -5.455  -9.929   2.962
  217    H    GLU  31           H        GLU  31  -2.376  -8.837   0.178
  218    HA   GLU  31           HA       GLU  31   0.319  -9.255   0.164
  219    HB2  GLU  31           2HB      GLU  31  -1.411  -7.530  -1.603
  220    HB3  GLU  31           1HB      GLU  31   0.322  -7.663  -1.903
  221    HG2  GLU  31           2HG      GLU  31   0.147 -10.070  -2.162
  222    HG3  GLU  31           1HG      GLU  31  -1.551 -10.037  -1.687
  223    H    LEU  32           H        LEU  32  -1.052  -5.925   0.083
  224    HA   LEU  32           HA       LEU  32   1.397  -4.682   0.591
  225    HB2  LEU  32           2HB      LEU  32  -1.039  -3.787  -0.115
  226    HB3  LEU  32           1HB      LEU  32  -1.136  -3.431   1.603
  227    HG   LEU  32           HG       LEU  32  -0.277  -1.479   0.447
  228   HD11  LEU  32          1HD1      LEU  32   0.745  -2.346   2.685
  229   HD12  LEU  32          2HD1      LEU  32   1.566  -1.046   1.825
  230   HD13  LEU  32          3HD1      LEU  32   2.171  -2.698   1.707
  231   HD21  LEU  32          3HD2      LEU  32   1.227  -1.532  -1.267
  232   HD22  LEU  32          1HD2      LEU  32   0.873  -3.254  -1.345
  233   HD23  LEU  32          2HD2      LEU  32   2.278  -2.687  -0.454
  234    H    ALA  33           H        ALA  33  -1.102  -5.866   2.807
  235    HA   ALA  33           HA       ALA  33  -0.356  -4.776   5.187
  236    HB1  ALA  33           1HB      ALA  33  -2.140  -6.581   4.666
  237    HB2  ALA  33           2HB      ALA  33  -1.389  -6.583   6.260
  238    HB3  ALA  33           3HB      ALA  33  -0.864  -7.739   5.036
  239    H    THR  34           H        THR  34   0.894  -7.983   4.190
  240    HA   THR  34           HA       THR  34   2.937  -8.207   6.022
  241    HB   THR  34           HB       THR  34   3.144  -9.113   3.151
  242    HG1  THR  34           1HG      THR  34   1.125  -9.669   4.085
  243   HG21  THR  34          3HG2      THR  34   4.207 -10.179   5.781
  244   HG22  THR  34          1HG2      THR  34   5.157  -9.434   4.493
  245   HG23  THR  34          2HG2      THR  34   4.374 -10.992   4.224
  246    H    VAL  35           H        VAL  35   3.165  -6.825   2.734
  247    HA   VAL  35           HA       VAL  35   5.843  -6.135   2.715
  248    HB   VAL  35           HB       VAL  35   3.502  -4.622   1.550
  249   HG11  VAL  35          1HG1      VAL  35   5.335  -3.805  -0.049
  250   HG12  VAL  35          2HG1      VAL  35   6.487  -4.360   1.167
  251   HG13  VAL  35          3HG1      VAL  35   5.326  -3.093   1.565
  252   HG21  VAL  35          3HG2      VAL  35   3.861  -7.025   0.848
  253   HG22  VAL  35          1HG2      VAL  35   5.452  -6.548   0.255
  254   HG23  VAL  35          2HG2      VAL  35   3.998  -5.860  -0.469
  255    H    ILE  36           H        ILE  36   3.189  -4.596   4.394
  256    HA   ILE  36           HA       ILE  36   4.573  -2.168   5.054
  257    HB   ILE  36           HB       ILE  36   1.936  -3.070   5.272
  258   HG12  ILE  36          2HG1      ILE  36   1.627  -0.808   6.526
  259   HG13  ILE  36          1HG1      ILE  36   3.368  -0.626   6.327
  260   HG21  ILE  36          1HG2      ILE  36   2.594  -4.168   7.474
  261   HG22  ILE  36          2HG2      ILE  36   1.282  -2.998   7.586
  262   HG23  ILE  36          3HG2      ILE  36   2.910  -2.552   8.094
  263   HD11  ILE  36          3HD       ILE  36   2.828  -1.231   3.801
  264   HD12  ILE  36          1HD       ILE  36   2.589   0.412   4.397
  265   HD13  ILE  36          2HD       ILE  36   1.213  -0.674   4.243
  266    H    ARG  37           H        ARG  37   4.312  -5.339   6.512
  267    HA   ARG  37           HA       ARG  37   5.509  -4.614   8.998
  268    HB2  ARG  37           2HB      ARG  37   5.358  -7.294   7.602
  269    HB3  ARG  37           1HB      ARG  37   5.834  -7.047   9.285
  270    HG2  ARG  37           2HG      ARG  37   3.621  -5.913   9.669
  271    HG3  ARG  37           1HG      ARG  37   3.153  -6.391   8.037
  272    HD2  ARG  37           2HD      ARG  37   3.539  -8.761   8.630
  273    HD3  ARG  37           1HD      ARG  37   3.969  -8.272  10.268
  274    HE   ARG  37           HE       ARG  37   1.461  -7.199   9.820
  275   HH11  ARG  37          1HH2      ARG  37   2.954 -10.319   9.745
  276   HH12  ARG  37          2HH2      ARG  37   1.520 -11.171  10.210
  277   HH21  ARG  37          1HH1      ARG  37  -0.426  -8.309  10.431
  278   HH22  ARG  37          2HH1      ARG  37  -0.394 -10.032  10.598
  279    H    SER  38           H        SER  38   6.816  -5.920   5.970
  280    HA   SER  38           HA       SER  38   9.492  -6.218   6.894
  281    HB2  SER  38           2HB      SER  38  10.053  -6.355   4.495
  282    HB3  SER  38           1HB      SER  38   8.675  -7.374   4.905
  283    HG   SER  38           HG       SER  38   7.646  -5.063   4.346
  284    H    LEU  39           H        LEU  39   7.755  -3.597   5.266
  285    HA   LEU  39           HA       LEU  39   9.967  -1.921   4.783
  286    HB2  LEU  39           2HB      LEU  39   7.038  -1.353   5.220
  287    HB3  LEU  39           1HB      LEU  39   8.192  -0.068   4.876
  288    HG   LEU  39           HG       LEU  39   7.925  -2.522   3.120
  289   HD11  LEU  39          1HD1      LEU  39   6.535  -1.079   1.626
  290   HD12  LEU  39          2HD1      LEU  39   6.497   0.143   2.897
  291   HD13  LEU  39          3HD1      LEU  39   5.750  -1.431   3.166
  292   HD21  LEU  39          3HD2      LEU  39   8.798  -0.681   1.441
  293   HD22  LEU  39          1HD2      LEU  39   9.936  -1.452   2.539
  294   HD23  LEU  39          2HD2      LEU  39   9.310   0.154   2.902
  295    H    ASP  40           H        ASP  40  11.254  -0.863   6.103
  296    HA   ASP  40           HA       ASP  40  11.004  -0.983   8.919
  297    HB2  ASP  40           2HB      ASP  40  13.171  -0.739   7.754
  298    HB3  ASP  40           1HB      ASP  40  12.704   0.887   7.255
  299    H    GLN  41           H        GLN  41   8.652  -0.128   8.746
  300    HA   GLN  41           HA       GLN  41   8.728   2.733   9.427
  301    HB2  GLN  41           2HB      GLN  41   7.948   2.286   7.002
  302    HB3  GLN  41           1HB      GLN  41   6.498   1.602   7.732
  303    HG2  GLN  41           2HG      GLN  41   5.913   3.680   8.756
  304    HG3  GLN  41           1HG      GLN  41   7.498   4.376   8.429
  305   HE21  GLN  41          1HE2      GLN  41   5.067   5.629   7.555
  306   HE22  GLN  41          2HE2      GLN  41   5.038   5.589   5.859
  307    H    ASN  42           H        ASN  42   6.492   3.358  10.392
  308    HA   ASN  42           HA       ASN  42   5.231   1.136  11.854
  309    HB2  ASN  42           2HB      ASN  42   6.150   3.621  13.294
  310    HB3  ASN  42           1HB      ASN  42   5.569   2.109  13.987
  311   HD21  ASN  42          1HD2      ASN  42   8.193   3.156  11.722
  312   HD22  ASN  42          2HD2      ASN  42   9.369   2.137  12.399
  313    HA   PRO  43           HA       PRO  43   2.291   4.463  10.520
  314    HB2  PRO  43           2HB      PRO  43   0.916   3.109   8.606
  315    HB3  PRO  43           1HB      PRO  43   2.455   3.927   8.267
  316    HG2  PRO  43           2HG      PRO  43   1.895   1.029   8.632
  317    HG3  PRO  43           1HG      PRO  43   3.093   1.827   7.598
  318    HD2  PRO  43           2HD      PRO  43   3.611   0.653  10.124
  319    HD3  PRO  43           1HD      PRO  43   4.699   1.744   9.242
  320    H    THR  44           H        THR  44   0.243   4.703  11.359
  321    HA   THR  44           HA       THR  44  -0.698   2.824  13.255
  322    HB   THR  44           HB       THR  44  -2.759   4.299  13.254
  323    HG1  THR  44           1HG      THR  44  -2.110   4.888  10.928
  324   HG21  THR  44          3HG2      THR  44  -1.544   6.242  14.184
  325   HG22  THR  44          1HG2      THR  44  -0.048   5.640  13.466
  326   HG23  THR  44          2HG2      THR  44  -0.849   4.721  14.741
  327    H    GLU  45           H        GLU  45  -2.025   1.126  13.060
  328    HA   GLU  45           HA       GLU  45  -2.806   0.207  10.473
  329    HB2  GLU  45           2HB      GLU  45  -2.213  -1.314  12.350
  330    HB3  GLU  45           1HB      GLU  45  -3.679  -0.809  13.189
  331    HG2  GLU  45           2HG      GLU  45  -5.057  -1.647  11.348
  332    HG3  GLU  45           1HG      GLU  45  -3.611  -2.091  10.441
  333    H    GLU  46           H        GLU  46  -4.477   1.758  13.160
  334    HA   GLU  46           HA       GLU  46  -7.120   1.401  12.459
  335    HB2  GLU  46           2HB      GLU  46  -5.762   3.862  13.582
  336    HB3  GLU  46           1HB      GLU  46  -7.513   3.653  13.504
  337    HG2  GLU  46           2HG      GLU  46  -7.369   1.652  14.898
  338    HG3  GLU  46           1HG      GLU  46  -5.610   1.762  14.916
  339    H    GLU  47           H        GLU  47  -4.812   3.764  11.163
  340    HA   GLU  47           HA       GLU  47  -6.582   5.216   9.556
  341    HB2  GLU  47           2HB      GLU  47  -3.647   4.593   9.211
  342    HB3  GLU  47           1HB      GLU  47  -4.528   5.709   8.169
  343    HG2  GLU  47           2HG      GLU  47  -5.150   7.067  10.122
  344    HG3  GLU  47           1HG      GLU  47  -4.301   5.942  11.183
  345    H    LEU  48           H        LEU  48  -4.410   2.563   8.544
  346    HA   LEU  48           HA       LEU  48  -5.173   2.221   5.947
  347    HB2  LEU  48           2HB      LEU  48  -4.395   0.242   8.075
  348    HB3  LEU  48           1HB      LEU  48  -4.862  -0.339   6.478
  349    HG   LEU  48           HG       LEU  48  -3.129   1.011   5.428
  350   HD11  LEU  48          1HD1      LEU  48  -3.095   2.966   6.812
  351   HD12  LEU  48          2HD1      LEU  48  -1.503   2.224   6.976
  352   HD13  LEU  48          3HD1      LEU  48  -2.707   2.021   8.247
  353   HD21  LEU  48          3HD2      LEU  48  -2.000  -0.428   7.851
  354   HD22  LEU  48          1HD2      LEU  48  -1.165  -0.124   6.326
  355   HD23  LEU  48          2HD2      LEU  48  -2.536  -1.231   6.375
  356    H    GLN  49           H        GLN  49  -6.870   0.900   8.789
  357    HA   GLN  49           HA       GLN  49  -8.886  -0.484   7.404
  358    HB2  GLN  49           2HB      GLN  49  -8.953   0.897  10.098
  359    HB3  GLN  49           1HB      GLN  49 -10.206  -0.197   9.508
  360    HG2  GLN  49           2HG      GLN  49  -8.573  -2.011   9.314
  361    HG3  GLN  49           1HG      GLN  49  -7.280  -0.925   9.822
  362   HE21  GLN  49          1HE2      GLN  49  -7.307  -2.923  11.510
  363   HE22  GLN  49          2HE2      GLN  49  -8.186  -2.617  12.929
  364    H    ASP  50           H        ASP  50  -8.845   2.872   8.615
  365    HA   ASP  50           HA       ASP  50 -11.430   3.564   7.671
  366    HB2  ASP  50           2HB      ASP  50  -8.993   5.212   8.334
  367    HB3  ASP  50           1HB      ASP  50 -10.537   5.918   7.862
  368    H    MET  51           H        MET  51  -8.197   4.159   6.275
  369    HA   MET  51           HA       MET  51  -9.120   5.437   3.932
  370    HB2  MET  51           2HB      MET  51  -6.583   3.824   4.279
  371    HB3  MET  51           1HB      MET  51  -6.881   5.073   3.072
  372    HG2  MET  51           2HG      MET  51  -6.924   5.539   6.067
  373    HG3  MET  51           1HG      MET  51  -5.554   5.907   5.023
  374    HE1  MET  51           3HE      MET  51  -7.185   7.266   2.264
  375    HE2  MET  51           1HE      MET  51  -5.610   7.140   3.056
  376    HE3  MET  51           2HE      MET  51  -6.393   8.707   2.892
  377    H    ILE  52           H        ILE  52  -7.715   2.173   4.138
  378    HA   ILE  52           HA       ILE  52  -8.332   1.249   1.643
  379    HB   ILE  52           HB       ILE  52  -8.504  -0.266   4.257
  380   HG12  ILE  52          2HG1      ILE  52  -6.303   0.738   3.789
  381   HG13  ILE  52          1HG1      ILE  52  -6.227  -1.014   3.666
  382   HG21  ILE  52          1HG2      ILE  52  -8.079  -2.274   2.747
  383   HG22  ILE  52          2HG2      ILE  52  -8.537  -1.238   1.396
  384   HG23  ILE  52          3HG2      ILE  52  -9.699  -1.583   2.677
  385   HD11  ILE  52          3HD       ILE  52  -5.111  -0.459   1.726
  386   HD12  ILE  52          1HD       ILE  52  -5.977   1.060   1.531
  387   HD13  ILE  52          2HD       ILE  52  -6.749  -0.458   1.080
  388    H    SER  53           H        SER  53 -10.513   1.219   4.456
  389    HA   SER  53           HA       SER  53 -12.706   0.107   2.974
  390    HB2  SER  53           2HB      SER  53 -12.462  -0.151   5.434
  391    HB3  SER  53           1HB      SER  53 -12.727   1.580   5.620
  392    HG   SER  53           HG       SER  53 -14.541  -0.037   4.187
  393    H    GLU  54           H        GLU  54 -11.403   3.265   3.405
  394    HA   GLU  54           HA       GLU  54 -13.876   4.527   2.366
  395    HB2  GLU  54           2HB      GLU  54 -12.954   5.449   4.482
  396    HB3  GLU  54           1HB      GLU  54 -11.456   5.838   3.637
  397    HG2  GLU  54           2HG      GLU  54 -12.443   7.541   2.380
  398    HG3  GLU  54           1HG      GLU  54 -14.060   6.856   2.522
  399    H    VAL  55           H        VAL  55 -11.297   3.119   1.098
  400    HA   VAL  55           HA       VAL  55 -10.975   5.143  -1.057
  401    HB   VAL  55           HB       VAL  55  -8.921   3.237   0.084
  402   HG11  VAL  55          1HG1      VAL  55  -7.435   4.423  -1.633
  403   HG12  VAL  55          2HG1      VAL  55  -8.930   4.966  -2.397
  404   HG13  VAL  55          3HG1      VAL  55  -8.577   3.243  -2.276
  405   HG21  VAL  55          3HG2      VAL  55  -9.460   5.483   1.233
  406   HG22  VAL  55          1HG2      VAL  55  -8.792   6.247  -0.208
  407   HG23  VAL  55          2HG2      VAL  55  -7.777   5.205   0.789
  408    H    ASP  56           H        ASP  56 -11.243   1.742  -0.166
  409    HA   ASP  56           HA       ASP  56 -10.913   0.552  -2.666
  410    HB2  ASP  56           2HB      ASP  56 -11.158  -0.658  -0.489
  411    HB3  ASP  56           1HB      ASP  56 -12.884  -0.303  -0.535
  412    H    ALA  57           H        ALA  57 -11.838   1.979  -4.211
  413    HA   ALA  57           HA       ALA  57 -14.625   2.634  -4.206
  414    HB1  ALA  57           1HB      ALA  57 -12.623   2.674  -6.478
  415    HB2  ALA  57           2HB      ALA  57 -12.958   4.014  -5.380
  416    HB3  ALA  57           3HB      ALA  57 -14.209   3.446  -6.486
  417    H    ASP  58           H        ASP  58 -12.658   0.346  -6.102
  418    HA   ASP  58           HA       ASP  58 -14.555  -0.805  -7.714
  419    HB2  ASP  58           2HB      ASP  58 -12.475  -2.388  -6.203
  420    HB3  ASP  58           1HB      ASP  58 -13.196  -2.781  -7.762
  421    H    GLY  59           H        GLY  59 -14.222  -1.102  -4.259
  422    HA2  GLY  59           2HA      GLY  59 -15.739  -1.895  -2.702
  423    HA3  GLY  59           1HA      GLY  59 -16.830  -2.292  -4.027
  424    H    ASN  60           H        ASN  60 -13.748  -3.539  -4.565
  425    HA   ASN  60           HA       ASN  60 -14.678  -6.256  -3.989
  426    HB2  ASN  60           2HB      ASN  60 -12.646  -6.935  -5.231
  427    HB3  ASN  60           1HB      ASN  60 -13.669  -5.848  -6.168
  428   HD21  ASN  60          1HD2      ASN  60 -11.224  -5.758  -7.160
  429   HD22  ASN  60          2HD2      ASN  60 -10.315  -4.442  -6.595
  430    H    GLY  61           H        GLY  61 -13.163  -3.891  -2.281
  431    HA2  GLY  61           2HA      GLY  61 -11.962  -3.886  -0.319
  432    HA3  GLY  61           1HA      GLY  61 -12.340  -5.600  -0.187
  433    H    THR  62           H        THR  62 -10.474  -3.808  -2.630
  434    HA   THR  62           HA       THR  62  -8.025  -5.248  -1.818
  435    HB   THR  62           HB       THR  62  -7.538  -5.791  -4.161
  436    HG1  THR  62           1HG      THR  62  -8.774  -4.097  -5.077
  437   HG21  THR  62          3HG2      THR  62  -8.917  -7.315  -2.622
  438   HG22  THR  62          1HG2      THR  62  -9.023  -7.636  -4.353
  439   HG23  THR  62          2HG2      THR  62 -10.324  -6.771  -3.535
  440    H    ILE  63           H        ILE  63  -6.072  -4.276  -2.656
  441    HA   ILE  63           HA       ILE  63  -6.325  -1.356  -2.885
  442    HB   ILE  63           HB       ILE  63  -3.938  -3.151  -2.399
  443   HG12  ILE  63          2HG1      ILE  63  -5.216  -1.127  -0.554
  444   HG13  ILE  63          1HG1      ILE  63  -5.709  -2.820  -0.574
  445   HG21  ILE  63          1HG2      ILE  63  -4.212  -0.155  -2.687
  446   HG22  ILE  63          2HG2      ILE  63  -3.109  -1.231  -3.545
  447   HG23  ILE  63          3HG2      ILE  63  -2.860  -0.895  -1.832
  448   HD11  ILE  63          3HD       ILE  63  -3.993  -2.435   1.156
  449   HD12  ILE  63          1HD       ILE  63  -2.893  -1.810  -0.073
  450   HD13  ILE  63          2HD       ILE  63  -3.381  -3.504  -0.106
  451    H    GLU  64           H        GLU  64  -5.438  -0.180  -4.577
  452    HA   GLU  64           HA       GLU  64  -4.359  -1.662  -6.892
  453    HB2  GLU  64           2HB      GLU  64  -6.572   0.392  -7.113
  454    HB3  GLU  64           1HB      GLU  64  -5.861  -0.554  -8.421
  455    HG2  GLU  64           2HG      GLU  64  -6.662  -2.633  -7.325
  456    HG3  GLU  64           1HG      GLU  64  -7.422  -1.659  -6.068
  457    H    PHE  65           H        PHE  65  -3.832   0.139  -8.654
  458    HA   PHE  65           HA       PHE  65  -1.685   1.665  -7.719
  459    HB2  PHE  65           2HB      PHE  65  -3.422   2.006 -10.170
  460    HB3  PHE  65           1HB      PHE  65  -1.942   2.920  -9.886
  461    HD1  PHE  65           1HD      PHE  65   0.249   1.741  -9.722
  462    HD2  PHE  65           2HD      PHE  65  -3.363  -0.306 -10.826
  463    HE1  PHE  65           1HE      PHE  65   1.589  -0.153 -10.599
  464    HE2  PHE  65           2HE      PHE  65  -2.022  -2.200 -11.702
  465    HZ   PHE  65           HZ       PHE  65   0.453  -2.123 -11.588
  466    H    ASP  66           H        ASP  66  -4.474   3.307  -9.156
  467    HA   ASP  66           HA       ASP  66  -4.141   5.763  -7.971
  468    HB2  ASP  66           2HB      ASP  66  -5.861   5.283  -9.678
  469    HB3  ASP  66           1HB      ASP  66  -6.790   4.385  -8.479
  470    H    GLU  67           H        GLU  67  -6.143   3.130  -6.631
  471    HA   GLU  67           HA       GLU  67  -6.923   4.336  -4.264
  472    HB2  GLU  67           2HB      GLU  67  -6.157   1.462  -4.816
  473    HB3  GLU  67           1HB      GLU  67  -6.916   1.995  -3.317
  474    HG2  GLU  67           2HG      GLU  67  -8.844   2.848  -4.568
  475    HG3  GLU  67           1HG      GLU  67  -8.075   2.401  -6.090
  476    H    PHE  68           H        PHE  68  -3.830   2.797  -5.021
  477    HA   PHE  68           HA       PHE  68  -2.807   3.041  -2.354
  478    HB2  PHE  68           2HB      PHE  68  -1.968   1.371  -4.013
  479    HB3  PHE  68           1HB      PHE  68  -1.277   2.697  -4.945
  480    HD1  PHE  68           1HD      PHE  68  -1.169   0.950  -1.666
  481    HD2  PHE  68           2HD      PHE  68   0.767   3.747  -4.290
  482    HE1  PHE  68           1HE      PHE  68   0.841   0.921  -0.215
  483    HE2  PHE  68           2HE      PHE  68   2.777   3.717  -2.838
  484    HZ   PHE  68           HZ       PHE  68   2.814   2.305  -0.801
  485    H    LEU  69           H        LEU  69  -2.521   4.958  -5.309
  486    HA   LEU  69           HA       LEU  69  -0.629   6.818  -4.309
  487    HB2  LEU  69           2HB      LEU  69  -2.734   7.181  -6.455
  488    HB3  LEU  69           1HB      LEU  69  -1.324   8.210  -6.210
  489    HG   LEU  69           HG       LEU  69  -1.206   5.239  -6.821
  490   HD11  LEU  69          1HD1      LEU  69  -2.007   6.304  -8.793
  491   HD12  LEU  69          2HD1      LEU  69  -0.269   6.132  -9.035
  492   HD13  LEU  69          3HD1      LEU  69  -0.944   7.693  -8.568
  493   HD21  LEU  69          3HD2      LEU  69   0.815   5.729  -5.731
  494   HD22  LEU  69          1HD2      LEU  69   0.857   7.385  -6.335
  495   HD23  LEU  69          2HD2      LEU  69   1.239   6.042  -7.410
  496    H    SER  70           H        SER  70  -4.154   6.738  -4.325
  497    HA   SER  70           HA       SER  70  -4.604   9.342  -3.343
  498    HB2  SER  70           2HB      SER  70  -6.824   8.484  -2.674
  499    HB3  SER  70           1HB      SER  70  -6.403   8.007  -4.316
  500    HG   SER  70           HG       SER  70  -5.444   6.181  -2.649
  501    H    LEU  71           H        LEU  71  -4.154   6.235  -1.706
  502    HA   LEU  71           HA       LEU  71  -4.647   7.086   0.919
  503    HB2  LEU  71           2HB      LEU  71  -4.492   4.733   0.358
  504    HB3  LEU  71           1HB      LEU  71  -2.805   4.916  -0.113
  505    HG   LEU  71           HG       LEU  71  -3.410   5.880   2.643
  506   HD11  LEU  71          1HD1      LEU  71  -3.549   2.919   2.008
  507   HD12  LEU  71          2HD1      LEU  71  -4.898   3.915   2.560
  508   HD13  LEU  71          3HD1      LEU  71  -3.518   3.630   3.622
  509   HD21  LEU  71          3HD2      LEU  71  -1.361   3.828   1.784
  510   HD22  LEU  71          1HD2      LEU  71  -1.283   4.960   3.132
  511   HD23  LEU  71          2HD2      LEU  71  -1.118   5.546   1.479
  512    H    MET  72           H        MET  72  -1.711   7.157  -1.041
  513    HA   MET  72           HA       MET  72  -0.005   8.043   1.077
  514    HB2  MET  72           2HB      MET  72   0.314   8.139  -1.927
  515    HB3  MET  72           1HB      MET  72   1.581   8.556  -0.772
  516    HG2  MET  72           2HG      MET  72   0.156   5.883  -0.800
  517    HG3  MET  72           1HG      MET  72   1.695   6.177  -1.610
  518    HE1  MET  72           3HE      MET  72   3.836   5.950  -0.658
  519    HE2  MET  72           1HE      MET  72   4.311   6.436   0.975
  520    HE3  MET  72           2HE      MET  72   3.639   7.623  -0.140
  521    H    ALA  73           H        ALA  73  -1.673   9.660  -1.611
  522    HA   ALA  73           HA       ALA  73  -0.698  12.222  -1.379
  523    HB1  ALA  73           1HB      ALA  73  -2.846  12.983  -2.302
  524    HB2  ALA  73           2HB      ALA  73  -3.566  11.419  -1.920
  525    HB3  ALA  73           3HB      ALA  73  -2.281  11.528  -3.124
  526    H    LYS  74           H        LYS  74  -3.372  10.767   0.451
  527    HA   LYS  74           HA       LYS  74  -3.761  13.143   2.053
  528    HB2  LYS  74           2HB      LYS  74  -4.913  10.356   2.136
  529    HB3  LYS  74           1HB      LYS  74  -5.301  11.574   3.352
  530    HG2  LYS  74           2HG      LYS  74  -6.233  13.049   1.697
  531    HG3  LYS  74           1HG      LYS  74  -5.623  12.049   0.379
  532    HD2  LYS  74           2HD      LYS  74  -7.986  11.581   0.648
  533    HD3  LYS  74           1HD      LYS  74  -7.079  10.176   1.207
  534    HE2  LYS  74           2HE      LYS  74  -7.455  10.707   3.491
  535    HE3  LYS  74           1HE      LYS  74  -7.959  12.352   3.109
  536    HZ1  LYS  74           3HZ      LYS  74  -9.873  11.015   3.590
  537    HZ2  LYS  74           1HZ      LYS  74  -9.414   9.853   2.444
  538    HZ3  LYS  74           2HZ      LYS  74  -9.883  11.406   1.936
  539    H    LYS  75           H        LYS  75  -2.542   9.833   2.647
  540    HA   LYS  75           HA       LYS  75  -1.891  10.165   5.355
  541    HB2  LYS  75           2HB      LYS  75  -1.934   7.984   4.127
  542    HB3  LYS  75           1HB      LYS  75  -0.423   8.446   3.343
  543    HG2  LYS  75           2HG      LYS  75   0.684   8.624   5.524
  544    HG3  LYS  75           1HG      LYS  75  -0.829   8.220   6.338
  545    HD2  LYS  75           2HD      LYS  75  -0.860   6.031   5.190
  546    HD3  LYS  75           1HD      LYS  75   0.663   6.431   4.395
  547    HE2  LYS  75           2HE      LYS  75   1.767   6.624   6.588
  548    HE3  LYS  75           1HE      LYS  75   0.245   6.244   7.394
  549    HZ1  LYS  75           3HZ      LYS  75   0.633   4.099   7.105
  550    HZ2  LYS  75           1HZ      LYS  75   2.144   4.464   6.425
  551    HZ3  LYS  75           2HZ      LYS  75   0.780   4.304   5.425
  552    H    VAL  76           H        VAL  76   0.271  10.420   2.522
  553    HA   VAL  76           HA       VAL  76   2.512  11.341   3.969
  554    HB   VAL  76           HB       VAL  76   1.819  11.867   1.070
  555   HG11  VAL  76          1HG1      VAL  76   4.353  11.900   0.900
  556   HG12  VAL  76          2HG1      VAL  76   4.391  11.958   2.663
  557   HG13  VAL  76          3HG1      VAL  76   3.641  13.270   1.753
  558   HG21  VAL  76          3HG2      VAL  76   3.444   9.616   2.292
  559   HG22  VAL  76          1HG2      VAL  76   3.027   9.818   0.589
  560   HG23  VAL  76          2HG2      VAL  76   1.768   9.446   1.768
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1  -0.675  18.732   1.487
    2    H2   ALA   1           2HT      ALA   1  -0.610  17.082   1.088
    3    H3   ALA   1           3HT      ALA   1  -2.109  17.874   1.201
    4    HA   ALA   1           HA       ALA   1  -1.646  17.643  -1.092
    5    HB1  ALA   1           2HB      ALA   1  -2.588  19.811  -0.430
    6    HB2  ALA   1           3HB      ALA   1  -1.460  20.025  -1.770
    7    HB3  ALA   1           1HB      ALA   1  -0.967  20.438  -0.128
    8    H    ASP   2           H        ASP   2   0.080  16.393  -1.717
    9    HA   ASP   2           HA       ASP   2   2.468  17.796  -2.536
   10    HB2  ASP   2           2HB      ASP   2   2.864  17.170  -0.104
   11    HB3  ASP   2           1HB      ASP   2   2.816  15.486  -0.622
   12    H    ILE   3           H        ILE   3   4.112  15.908  -3.305
   13    HA   ILE   3           HA       ILE   3   2.555  13.814  -4.701
   14    HB   ILE   3           HB       ILE   3   4.576  15.685  -5.967
   15   HG12  ILE   3          2HG1      ILE   3   1.654  15.209  -6.637
   16   HG13  ILE   3          1HG1      ILE   3   2.214  16.537  -5.621
   17   HG21  ILE   3          1HG2      ILE   3   4.918  13.503  -6.896
   18   HG22  ILE   3          2HG2      ILE   3   3.908  14.369  -8.051
   19   HG23  ILE   3          3HG2      ILE   3   3.186  13.186  -6.961
   20   HD11  ILE   3          3HD       ILE   3   3.623  17.369  -7.457
   21   HD12  ILE   3          1HD       ILE   3   1.938  17.266  -7.963
   22   HD13  ILE   3          2HD       ILE   3   3.089  16.035  -8.479
   23    H    LEU   4           H        LEU   4   3.714  11.945  -5.205
   24    HA   LEU   4           HA       LEU   4   5.672  11.124  -3.376
   25    HB2  LEU   4           2HB      LEU   4   5.284   9.946  -6.128
   26    HB3  LEU   4           1HB      LEU   4   5.829   9.130  -4.663
   27    HG   LEU   4           HG       LEU   4   3.068  10.269  -5.180
   28   HD11  LEU   4          1HD1      LEU   4   4.188   7.476  -4.902
   29   HD12  LEU   4          2HD1      LEU   4   3.300   8.159  -6.262
   30   HD13  LEU   4          3HD1      LEU   4   2.469   7.826  -4.742
   31   HD21  LEU   4          3HD2      LEU   4   4.384   9.195  -2.679
   32   HD22  LEU   4          1HD2      LEU   4   2.637   9.102  -2.899
   33   HD23  LEU   4          2HD2      LEU   4   3.437  10.671  -2.878
   34    H    SER   5           H        SER   5   7.870  10.354  -3.951
   35    HA   SER   5           HA       SER   5   9.296  12.453  -5.452
   36    HB2  SER   5           2HB      SER   5  10.491  12.304  -3.508
   37    HB3  SER   5           1HB      SER   5   9.916  10.677  -3.168
   38    HG   SER   5           HG       SER   5  12.243  11.428  -4.197
   39    H    GLU   6           H        GLU   6  10.052  12.066  -7.431
   40    HA   GLU   6           HA       GLU   6   9.606   9.959  -9.039
   41    HB2  GLU   6           2HB      GLU   6  10.746  12.055  -9.727
   42    HB3  GLU   6           1HB      GLU   6  12.230  11.459  -8.984
   43    HG2  GLU   6           2HG      GLU   6  12.238   9.521 -10.483
   44    HG3  GLU   6           1HG      GLU   6  10.713  10.043 -11.193
   45    H    GLU   7           H        GLU   7  12.856  10.251  -7.611
   46    HA   GLU   7           HA       GLU   7  13.751   7.703  -8.095
   47    HB2  GLU   7           2HB      GLU   7  14.276   9.478  -5.702
   48    HB3  GLU   7           1HB      GLU   7  15.194   8.015  -6.059
   49    HG2  GLU   7           2HG      GLU   7  15.879   8.936  -8.220
   50    HG3  GLU   7           1HG      GLU   7  14.896  10.374  -7.941
   51    H    GLN   8           H        GLN   8  11.468   8.743  -5.656
   52    HA   GLN   8           HA       GLN   8  11.576   6.266  -4.169
   53    HB2  GLN   8           2HB      GLN   8  10.916   8.574  -3.259
   54    HB3  GLN   8           1HB      GLN   8   9.357   8.305  -4.035
   55    HG2  GLN   8           2HG      GLN   8   9.069   6.221  -2.776
   56    HG3  GLN   8           1HG      GLN   8  10.638   6.462  -2.006
   57   HE21  GLN   8          1HE2      GLN   8   8.165   6.323  -0.510
   58   HE22  GLN   8          2HE2      GLN   8   7.910   7.842   0.202
   59    H    ILE   9           H        ILE   9   9.814   7.530  -6.882
   60    HA   ILE   9           HA       ILE   9   7.599   5.750  -6.755
   61    HB   ILE   9           HB       ILE   9   8.124   7.945  -8.252
   62   HG12  ILE   9          2HG1      ILE   9   6.200   7.191  -9.730
   63   HG13  ILE   9          1HG1      ILE   9   6.301   5.623  -8.938
   64   HG21  ILE   9          1HG2      ILE   9   8.580   7.461 -10.537
   65   HG22  ILE   9          2HG2      ILE   9   8.418   5.725 -10.283
   66   HG23  ILE   9          3HG2      ILE   9   9.801   6.581  -9.629
   67   HD11  ILE   9          3HD       ILE   9   6.149   7.958  -7.092
   68   HD12  ILE   9          1HD       ILE   9   5.345   6.389  -7.010
   69   HD13  ILE   9          2HD       ILE   9   4.711   7.650  -8.061
   70    H    VAL  10           H        VAL  10  10.817   5.559  -8.147
   71    HA   VAL  10           HA       VAL  10  10.310   3.095  -9.542
   72    HB   VAL  10           HB       VAL  10  12.934   4.419  -8.819
   73   HG11  VAL  10          1HG1      VAL  10  12.212   2.154 -10.695
   74   HG12  VAL  10          2HG1      VAL  10  13.312   2.097  -9.319
   75   HG13  VAL  10          3HG1      VAL  10  13.750   3.012 -10.762
   76   HG21  VAL  10          3HG2      VAL  10  12.714   4.907 -11.425
   77   HG22  VAL  10          1HG2      VAL  10  11.925   5.960 -10.255
   78   HG23  VAL  10          2HG2      VAL  10  10.990   4.730 -11.103
   79    H    ASP  11           H        ASP  11  11.950   4.006  -6.535
   80    HA   ASP  11           HA       ASP  11  12.946   1.527  -5.763
   81    HB2  ASP  11           2HB      ASP  11  13.448   3.588  -4.560
   82    HB3  ASP  11           1HB      ASP  11  11.770   3.707  -4.027
   83    H    PHE  12           H        PHE  12   9.759   2.946  -5.007
   84    HA   PHE  12           HA       PHE  12   8.797   0.655  -3.644
   85    HB2  PHE  12           2HB      PHE  12   7.500   3.091  -4.856
   86    HB3  PHE  12           1HB      PHE  12   6.496   1.778  -4.243
   87    HD1  PHE  12           1HD      PHE  12   9.589   3.625  -3.155
   88    HD2  PHE  12           2HD      PHE  12   5.746   2.053  -2.048
   89    HE1  PHE  12           1HE      PHE  12   9.905   4.475  -0.849
   90    HE2  PHE  12           2HE      PHE  12   6.064   2.902   0.258
   91    HZ   PHE  12           HZ       PHE  12   8.144   4.113   0.858
   92    H    LYS  13           H        LYS  13   8.430   1.779  -7.002
   93    HA   LYS  13           HA       LYS  13   6.671  -0.177  -7.906
   94    HB2  LYS  13           2HB      LYS  13   7.402   1.807  -9.210
   95    HB3  LYS  13           1HB      LYS  13   8.977   1.047  -9.435
   96    HG2  LYS  13           2HG      LYS  13   7.944  -0.835 -10.600
   97    HG3  LYS  13           1HG      LYS  13   6.339  -0.166 -10.305
   98    HD2  LYS  13           2HD      LYS  13   6.942   1.845 -11.618
   99    HD3  LYS  13           1HD      LYS  13   8.530   1.148 -11.939
  100    HE2  LYS  13           2HE      LYS  13   5.877  -0.081 -12.741
  101    HE3  LYS  13           1HE      LYS  13   6.992   0.748 -13.828
  102    HZ1  LYS  13           3HZ      LYS  13   7.694  -1.371 -14.124
  103    HZ2  LYS  13           1HZ      LYS  13   7.221  -1.881 -12.578
  104    HZ3  LYS  13           2HZ      LYS  13   8.652  -0.986 -12.775
  105    H    GLU  14           H        GLU  14  10.215  -0.246  -7.673
  106    HA   GLU  14           HA       GLU  14  10.660  -2.720  -8.897
  107    HB2  GLU  14           2HB      GLU  14  12.406  -1.030  -8.191
  108    HB3  GLU  14           1HB      GLU  14  12.221  -1.638  -6.546
  109    HG2  GLU  14           2HG      GLU  14  14.062  -2.833  -7.520
  110    HG3  GLU  14           1HG      GLU  14  12.703  -3.955  -7.463
  111    H    ALA  15           H        ALA  15   9.998  -1.924  -5.495
  112    HA   ALA  15           HA       ALA  15  10.138  -4.617  -4.552
  113    HB1  ALA  15           1HB      ALA  15   9.061  -3.733  -2.531
  114    HB2  ALA  15           2HB      ALA  15   8.725  -2.219  -3.370
  115    HB3  ALA  15           3HB      ALA  15  10.392  -2.698  -3.050
  116    H    PHE  16           H        PHE  16   7.618  -2.629  -5.960
  117    HA   PHE  16           HA       PHE  16   5.403  -4.258  -5.198
  118    HB2  PHE  16           2HB      PHE  16   5.259  -1.866  -5.957
  119    HB3  PHE  16           1HB      PHE  16   5.598  -2.426  -7.596
  120    HD1  PHE  16           1HD      PHE  16   4.046  -4.143  -8.654
  121    HD2  PHE  16           2HD      PHE  16   3.077  -2.047  -5.031
  122    HE1  PHE  16           1HE      PHE  16   1.655  -4.728  -8.956
  123    HE2  PHE  16           2HE      PHE  16   0.686  -2.631  -5.336
  124    HZ   PHE  16           HZ       PHE  16  -0.024  -3.970  -7.298
  125    H    GLY  17           H        GLY  17   7.242  -3.964  -8.249
  126    HA2  GLY  17           2HA      GLY  17   5.871  -5.997  -9.642
  127    HA3  GLY  17           1HA      GLY  17   7.484  -5.404 -10.021
  128    H    LEU  18           H        LEU  18   8.578  -6.088  -7.385
  129    HA   LEU  18           HA       LEU  18   9.347  -8.774  -7.956
  130    HB2  LEU  18           2HB      LEU  18   9.824  -6.918  -5.626
  131    HB3  LEU  18           1HB      LEU  18  10.454  -8.564  -5.645
  132    HG   LEU  18           HG       LEU  18  10.958  -6.627  -7.918
  133   HD11  LEU  18          1HD1      LEU  18  13.162  -6.176  -6.845
  134   HD12  LEU  18          2HD1      LEU  18  12.620  -7.059  -5.418
  135   HD13  LEU  18          3HD1      LEU  18  11.808  -5.567  -5.894
  136   HD21  LEU  18          3HD2      LEU  18  13.068  -8.169  -8.027
  137   HD22  LEU  18          1HD2      LEU  18  11.538  -8.814  -8.609
  138   HD23  LEU  18          2HD2      LEU  18  12.136  -9.266  -7.014
  139    H    PHE  19           H        PHE  19   7.166  -7.287  -5.616
  140    HA   PHE  19           HA       PHE  19   6.491  -9.888  -4.464
  141    HB2  PHE  19           2HB      PHE  19   6.660  -7.668  -3.156
  142    HB3  PHE  19           1HB      PHE  19   5.116  -7.256  -3.905
  143    HD1  PHE  19           1HD      PHE  19   6.827  -9.869  -1.868
  144    HD2  PHE  19           2HD      PHE  19   3.084  -8.119  -3.041
  145    HE1  PHE  19           1HE      PHE  19   5.653 -11.252  -0.179
  146    HE2  PHE  19           2HE      PHE  19   1.910  -9.503  -1.350
  147    HZ   PHE  19           HZ       PHE  19   3.194 -11.069   0.080
  148    H    ASP  20           H        ASP  20   5.497  -7.992  -7.086
  149    HA   ASP  20           HA       ASP  20   2.898  -9.427  -7.199
  150    HB2  ASP  20           2HB      ASP  20   2.844  -6.890  -7.065
  151    HB3  ASP  20           1HB      ASP  20   3.582  -6.882  -8.666
  152    H    LYS  21           H        LYS  21   3.403 -11.225  -8.388
  153    HA   LYS  21           HA       LYS  21   4.855 -10.843 -10.946
  154    HB2  LYS  21           2HB      LYS  21   4.452 -13.304  -9.233
  155    HB3  LYS  21           1HB      LYS  21   5.211 -13.310 -10.824
  156    HG2  LYS  21           2HG      LYS  21   7.008 -11.918 -10.082
  157    HG3  LYS  21           1HG      LYS  21   6.174 -11.536  -8.574
  158    HD2  LYS  21           2HD      LYS  21   7.898 -13.197  -8.124
  159    HD3  LYS  21           1HD      LYS  21   6.314 -13.946  -7.932
  160    HE2  LYS  21           2HE      LYS  21   6.477 -15.089 -10.003
  161    HE3  LYS  21           1HE      LYS  21   7.808 -14.071 -10.555
  162    HZ1  LYS  21           3HZ      LYS  21   9.116 -15.008  -8.660
  163    HZ2  LYS  21           1HZ      LYS  21   8.733 -16.119  -9.882
  164    HZ3  LYS  21           2HZ      LYS  21   7.862 -16.129  -8.424
  165    H    ASP  22           H        ASP  22   1.934 -12.091  -9.436
  166    HA   ASP  22           HA       ASP  22   0.774 -13.576 -11.418
  167    HB2  ASP  22           2HB      ASP  22  -1.425 -12.703 -10.577
  168    HB3  ASP  22           1HB      ASP  22  -0.345 -13.275  -9.307
  169    H    GLY  23           H        GLY  23   1.723 -10.332 -11.623
  170    HA2  GLY  23           2HA      GLY  23   1.591  -8.784 -13.324
  171    HA3  GLY  23           1HA      GLY  23   0.948 -10.072 -14.341
  172    H    ASP  24           H        ASP  24  -1.035 -10.160 -11.804
  173    HA   ASP  24           HA       ASP  24  -3.288  -9.129 -13.088
  174    HB2  ASP  24           2HB      ASP  24  -4.400  -9.279 -10.940
  175    HB3  ASP  24           1HB      ASP  24  -3.320 -10.662 -11.115
  176    H    GLY  25           H        GLY  25  -0.685  -7.438 -11.806
  177    HA2  GLY  25           2HA      GLY  25  -0.294  -5.158 -11.751
  178    HA3  GLY  25           1HA      GLY  25  -1.944  -4.902 -12.312
  179    H    CYS  26           H        CYS  26  -3.680  -5.346 -10.643
  180    HA   CYS  26           HA       CYS  26  -3.181  -3.761  -8.340
  181    HB2  CYS  26           2HB      CYS  26  -5.491  -5.573  -9.074
  182    HB3  CYS  26           1HB      CYS  26  -5.481  -4.510  -7.668
  183    HG   CYS  26           HG       CYS  26  -5.221  -2.465  -9.353
  184    H    ILE  27           H        ILE  27  -3.750  -4.561  -6.092
  185    HA   ILE  27           HA       ILE  27  -2.858  -7.323  -5.620
  186    HB   ILE  27           HB       ILE  27  -1.530  -6.374  -3.642
  187   HG12  ILE  27          2HG1      ILE  27  -1.502  -3.831  -5.279
  188   HG13  ILE  27          1HG1      ILE  27  -2.714  -4.071  -4.024
  189   HG21  ILE  27          1HG2      ILE  27  -0.771  -6.050  -6.543
  190   HG22  ILE  27          2HG2      ILE  27  -0.191  -7.227  -5.371
  191   HG23  ILE  27          3HG2      ILE  27   0.356  -5.558  -5.278
  192   HD11  ILE  27          3HD       ILE  27  -0.780  -2.892  -3.097
  193   HD12  ILE  27          1HD       ILE  27   0.287  -4.191  -3.636
  194   HD13  ILE  27          2HD       ILE  27  -0.914  -4.498  -2.383
  195    H    THR  28           H        THR  28  -3.279  -8.023  -3.369
  196    HA   THR  28           HA       THR  28  -5.966  -7.198  -2.608
  197    HB   THR  28           HB       THR  28  -4.219  -9.351  -1.393
  198    HG1  THR  28           1HG      THR  28  -5.043  -9.274  -3.796
  199   HG21  THR  28          3HG2      THR  28  -7.102  -8.532  -1.117
  200   HG22  THR  28          1HG2      THR  28  -5.977  -9.105   0.116
  201   HG23  THR  28          2HG2      THR  28  -6.693 -10.242  -1.022
  202    H    VAL  29           H        VAL  29  -6.277  -7.313  -0.075
  203    HA   VAL  29           HA       VAL  29  -4.908  -5.033   0.962
  204    HB   VAL  29           HB       VAL  29  -6.822  -6.981   2.268
  205   HG11  VAL  29          1HG1      VAL  29  -7.072  -5.039   3.918
  206   HG12  VAL  29          2HG1      VAL  29  -5.570  -4.406   3.244
  207   HG13  VAL  29          3HG1      VAL  29  -5.586  -5.979   4.044
  208   HG21  VAL  29          3HG2      VAL  29  -8.349  -4.951   2.028
  209   HG22  VAL  29          1HG2      VAL  29  -7.917  -5.758   0.520
  210   HG23  VAL  29          2HG2      VAL  29  -7.115  -4.257   0.978
  211    H    GLU  30           H        GLU  30  -4.876  -8.512   1.673
  212    HA   GLU  30           HA       GLU  30  -3.092  -8.453   3.850
  213    HB2  GLU  30           2HB      GLU  30  -3.630 -10.609   1.798
  214    HB3  GLU  30           1HB      GLU  30  -2.652 -10.847   3.247
  215    HG2  GLU  30           2HG      GLU  30  -4.546 -10.259   4.669
  216    HG3  GLU  30           1HG      GLU  30  -5.533  -9.905   3.251
  217    H    GLU  31           H        GLU  31  -2.491  -8.944   0.371
  218    HA   GLU  31           HA       GLU  31   0.194  -9.417   0.317
  219    HB2  GLU  31           2HB      GLU  31  -1.481  -7.633  -1.463
  220    HB3  GLU  31           1HB      GLU  31   0.217  -7.960  -1.804
  221    HG2  GLU  31           2HG      GLU  31  -0.202 -10.329  -1.984
  222    HG3  GLU  31           1HG      GLU  31  -1.851 -10.135  -1.395
  223    H    LEU  32           H        LEU  32  -1.124  -6.072   0.178
  224    HA   LEU  32           HA       LEU  32   1.371  -4.889   0.658
  225    HB2  LEU  32           2HB      LEU  32  -1.023  -3.941  -0.136
  226    HB3  LEU  32           1HB      LEU  32  -1.137  -3.510   1.564
  227    HG   LEU  32           HG       LEU  32  -0.187  -1.641   0.341
  228   HD11  LEU  32          1HD1      LEU  32   0.744  -2.449   2.642
  229   HD12  LEU  32          2HD1      LEU  32   1.636  -1.216   1.751
  230   HD13  LEU  32          3HD1      LEU  32   2.179  -2.891   1.719
  231   HD21  LEU  32          3HD2      LEU  32   1.352  -1.828  -1.334
  232   HD22  LEU  32          1HD2      LEU  32   0.942  -3.539  -1.339
  233   HD23  LEU  32          2HD2      LEU  32   2.346  -2.976  -0.440
  234    H    ALA  33           H        ALA  33  -1.222  -5.873   2.849
  235    HA   ALA  33           HA       ALA  33  -0.480  -4.717   5.196
  236    HB1  ALA  33           1HB      ALA  33  -2.342  -6.427   4.727
  237    HB2  ALA  33           2HB      ALA  33  -1.593  -6.453   6.321
  238    HB3  ALA  33           3HB      ALA  33  -1.138  -7.655   5.114
  239    H    THR  34           H        THR  34   0.640  -8.008   4.348
  240    HA   THR  34           HA       THR  34   2.620  -8.275   6.239
  241    HB   THR  34           HB       THR  34   2.876  -9.254   3.395
  242    HG1  THR  34           1HG      THR  34   0.804  -9.693   4.289
  243   HG21  THR  34          3HG2      THR  34   3.748 -10.422   6.051
  244   HG22  THR  34          1HG2      THR  34   4.811  -9.578   4.925
  245   HG23  THR  34          2HG2      THR  34   4.063 -11.105   4.456
  246    H    VAL  35           H        VAL  35   3.001  -6.982   2.928
  247    HA   VAL  35           HA       VAL  35   5.705  -6.397   2.983
  248    HB   VAL  35           HB       VAL  35   3.461  -4.847   1.683
  249   HG11  VAL  35          1HG1      VAL  35   5.383  -4.126   0.143
  250   HG12  VAL  35          2HG1      VAL  35   6.467  -4.674   1.420
  251   HG13  VAL  35          3HG1      VAL  35   5.327  -3.366   1.733
  252   HG21  VAL  35          3HG2      VAL  35   3.847  -7.308   1.103
  253   HG22  VAL  35          1HG2      VAL  35   5.417  -6.811   0.472
  254   HG23  VAL  35          2HG2      VAL  35   3.938  -6.177  -0.249
  255    H    ILE  36           H        ILE  36   3.049  -4.705   4.505
  256    HA   ILE  36           HA       ILE  36   4.466  -2.300   5.127
  257    HB   ILE  36           HB       ILE  36   1.815  -3.163   5.341
  258   HG12  ILE  36          2HG1      ILE  36   1.522  -0.855   6.518
  259   HG13  ILE  36          1HG1      ILE  36   3.268  -0.704   6.331
  260   HG21  ILE  36          1HG2      ILE  36   2.415  -4.204   7.580
  261   HG22  ILE  36          2HG2      ILE  36   1.132  -2.996   7.647
  262   HG23  ILE  36          3HG2      ILE  36   2.766  -2.581   8.162
  263   HD11  ILE  36          3HD       ILE  36   2.528   0.280   4.358
  264   HD12  ILE  36          1HD       ILE  36   1.132  -0.788   4.229
  265   HD13  ILE  36          2HD       ILE  36   2.742  -1.386   3.819
  266    H    ARG  37           H        ARG  37   4.140  -5.417   6.669
  267    HA   ARG  37           HA       ARG  37   5.296  -4.614   9.155
  268    HB2  ARG  37           2HB      ARG  37   5.083  -7.344   7.869
  269    HB3  ARG  37           1HB      ARG  37   5.571  -7.049   9.538
  270    HG2  ARG  37           2HG      ARG  37   3.382  -5.835   9.875
  271    HG3  ARG  37           1HG      ARG  37   2.898  -6.390   8.273
  272    HD2  ARG  37           2HD      ARG  37   3.232  -8.731   8.989
  273    HD3  ARG  37           1HD      ARG  37   3.693  -8.171  10.593
  274    HE   ARG  37           HE       ARG  37   1.200  -7.064  10.104
  275   HH11  ARG  37          1HH2      ARG  37   2.632 -10.211  10.226
  276   HH12  ARG  37          2HH2      ARG  37   1.186 -11.001  10.761
  277   HH21  ARG  37          1HH1      ARG  37  -0.701  -8.092  10.806
  278   HH22  ARG  37          2HH1      ARG  37  -0.701  -9.801  11.090
  279    H    SER  38           H        SER  38   6.605  -6.029   6.195
  280    HA   SER  38           HA       SER  38   9.262  -6.374   7.163
  281    HB2  SER  38           2HB      SER  38   9.842  -6.599   4.777
  282    HB3  SER  38           1HB      SER  38   8.437  -7.572   5.204
  283    HG   SER  38           HG       SER  38   7.581  -5.160   4.535
  284    H    LEU  39           H        LEU  39   7.597  -3.761   5.446
  285    HA   LEU  39           HA       LEU  39   9.847  -2.146   4.933
  286    HB2  LEU  39           2HB      LEU  39   6.926  -1.512   5.327
  287    HB3  LEU  39           1HB      LEU  39   8.106  -0.258   4.957
  288    HG   LEU  39           HG       LEU  39   7.794  -2.760   3.278
  289   HD11  LEU  39          1HD1      LEU  39   6.479  -1.317   1.716
  290   HD12  LEU  39          2HD1      LEU  39   6.455  -0.060   2.952
  291   HD13  LEU  39          3HD1      LEU  39   5.658  -1.605   3.248
  292   HD21  LEU  39          3HD2      LEU  39   8.748  -0.993   1.551
  293   HD22  LEU  39          1HD2      LEU  39   9.843  -1.793   2.673
  294   HD23  LEU  39          2HD2      LEU  39   9.290  -0.151   3.000
  295    H    ASP  40           H        ASP  40  11.148  -1.084   6.230
  296    HA   ASP  40           HA       ASP  40  10.882  -1.110   9.043
  297    HB2  ASP  40           2HB      ASP  40  13.058  -0.915   7.868
  298    HB3  ASP  40           1HB      ASP  40  12.610   0.709   7.349
  299    H    GLN  41           H        GLN  41   8.547  -0.241   8.861
  300    HA   GLN  41           HA       GLN  41   8.651   2.628   9.471
  301    HB2  GLN  41           2HB      GLN  41   7.891   2.151   7.042
  302    HB3  GLN  41           1HB      GLN  41   6.418   1.512   7.769
  303    HG2  GLN  41           2HG      GLN  41   5.852   3.615   8.728
  304    HG3  GLN  41           1HG      GLN  41   7.462   4.273   8.448
  305   HE21  GLN  41          1HE2      GLN  41   5.215   5.660   7.489
  306   HE22  GLN  41          2HE2      GLN  41   5.187   5.572   5.794
  307    H    ASN  42           H        ASN  42   6.399   3.304  10.374
  308    HA   ASN  42           HA       ASN  42   5.076   1.136  11.856
  309    HB2  ASN  42           2HB      ASN  42   6.019   3.620  13.285
  310    HB3  ASN  42           1HB      ASN  42   5.411   2.118  13.981
  311   HD21  ASN  42          1HD2      ASN  42   8.081   3.136  11.757
  312   HD22  ASN  42          2HD2      ASN  42   9.234   2.099  12.449
  313    HA   PRO  43           HA       PRO  43   2.226   4.502  10.427
  314    HB2  PRO  43           2HB      PRO  43   0.831   3.126   8.538
  315    HB3  PRO  43           1HB      PRO  43   2.383   3.913   8.189
  316    HG2  PRO  43           2HG      PRO  43   1.779   1.033   8.611
  317    HG3  PRO  43           1HG      PRO  43   2.997   1.790   7.572
  318    HD2  PRO  43           2HD      PRO  43   3.477   0.659  10.123
  319    HD3  PRO  43           1HD      PRO  43   4.589   1.717   9.230
  320    H    THR  44           H        THR  44   0.166   4.807  11.219
  321    HA   THR  44           HA       THR  44  -0.838   2.979  13.143
  322    HB   THR  44           HB       THR  44  -2.798   4.521  13.215
  323    HG1  THR  44           1HG      THR  44  -2.170   4.992  10.784
  324   HG21  THR  44          3HG2      THR  44  -1.494   6.521  13.903
  325   HG22  THR  44          1HG2      THR  44  -0.062   5.825  13.145
  326   HG23  THR  44          2HG2      THR  44  -0.800   5.026  14.532
  327    H    GLU  45           H        GLU  45  -2.245   1.344  12.965
  328    HA   GLU  45           HA       GLU  45  -3.041   0.425  10.375
  329    HB2  GLU  45           2HB      GLU  45  -2.504  -1.098  12.271
  330    HB3  GLU  45           1HB      GLU  45  -3.961  -0.541  13.093
  331    HG2  GLU  45           2HG      GLU  45  -5.348  -1.345  11.244
  332    HG3  GLU  45           1HG      GLU  45  -3.910  -1.844  10.356
  333    H    GLU  46           H        GLU  46  -4.639   2.101  13.024
  334    HA   GLU  46           HA       GLU  46  -7.299   1.816  12.355
  335    HB2  GLU  46           2HB      GLU  46  -5.839   4.251  13.404
  336    HB3  GLU  46           1HB      GLU  46  -7.596   4.117  13.336
  337    HG2  GLU  46           2HG      GLU  46  -7.531   2.141  14.780
  338    HG3  GLU  46           1HG      GLU  46  -5.769   2.192  14.801
  339    H    GLU  47           H        GLU  47  -4.936   4.091  10.995
  340    HA   GLU  47           HA       GLU  47  -6.672   5.542   9.351
  341    HB2  GLU  47           2HB      GLU  47  -3.755   4.831   9.002
  342    HB3  GLU  47           1HB      GLU  47  -4.614   5.968   7.961
  343    HG2  GLU  47           2HG      GLU  47  -5.149   7.379   9.879
  344    HG3  GLU  47           1HG      GLU  47  -4.397   6.218  10.974
  345    H    LEU  48           H        LEU  48  -4.567   2.816   8.410
  346    HA   LEU  48           HA       LEU  48  -5.353   2.425   5.819
  347    HB2  LEU  48           2HB      LEU  48  -4.577   0.490   7.990
  348    HB3  LEU  48           1HB      LEU  48  -5.062  -0.124   6.410
  349    HG   LEU  48           HG       LEU  48  -3.324   1.189   5.317
  350   HD11  LEU  48          1HD1      LEU  48  -3.261   3.169   6.663
  351   HD12  LEU  48          2HD1      LEU  48  -1.674   2.415   6.827
  352   HD13  LEU  48          3HD1      LEU  48  -2.869   2.247   8.113
  353   HD21  LEU  48          3HD2      LEU  48  -2.244  -0.256   7.759
  354   HD22  LEU  48          1HD2      LEU  48  -1.345   0.079   6.278
  355   HD23  LEU  48          2HD2      LEU  48  -2.716  -1.029   6.246
  356    H    GLN  49           H        GLN  49  -7.020   1.183   8.712
  357    HA   GLN  49           HA       GLN  49  -9.073  -0.207   7.392
  358    HB2  GLN  49           2HB      GLN  49  -9.067   1.225  10.058
  359    HB3  GLN  49           1HB      GLN  49 -10.354   0.150   9.514
  360    HG2  GLN  49           2HG      GLN  49  -8.764  -1.702   9.320
  361    HG3  GLN  49           1HG      GLN  49  -7.439  -0.636   9.783
  362   HE21  GLN  49          1HE2      GLN  49  -7.456  -2.588  11.514
  363   HE22  GLN  49          2HE2      GLN  49  -8.307  -2.244  12.942
  364    H    ASP  50           H        ASP  50  -8.946   3.179   8.493
  365    HA   ASP  50           HA       ASP  50 -11.554   3.885   7.625
  366    HB2  ASP  50           2HB      ASP  50  -9.062   5.511   8.128
  367    HB3  ASP  50           1HB      ASP  50 -10.614   6.228   7.693
  368    H    MET  51           H        MET  51  -8.367   4.377   6.091
  369    HA   MET  51           HA       MET  51  -9.364   5.571   3.736
  370    HB2  MET  51           2HB      MET  51  -6.807   4.062   4.302
  371    HB3  MET  51           1HB      MET  51  -7.133   4.878   2.775
  372    HG2  MET  51           2HG      MET  51  -7.234   6.254   5.473
  373    HG3  MET  51           1HG      MET  51  -5.819   6.265   4.421
  374    HE1  MET  51           3HE      MET  51  -6.548   8.493   1.564
  375    HE2  MET  51           1HE      MET  51  -6.273   6.752   1.699
  376    HE3  MET  51           2HE      MET  51  -5.367   7.871   2.714
  377    H    ILE  52           H        ILE  52  -8.033   2.284   4.070
  378    HA   ILE  52           HA       ILE  52  -8.707   1.255   1.642
  379    HB   ILE  52           HB       ILE  52  -8.895  -0.087   4.346
  380   HG12  ILE  52          2HG1      ILE  52  -6.668   0.767   3.698
  381   HG13  ILE  52          1HG1      ILE  52  -6.692  -0.991   3.750
  382   HG21  ILE  52          1HG2      ILE  52  -8.623  -2.216   2.954
  383   HG22  ILE  52          2HG2      ILE  52  -9.107  -1.245   1.564
  384   HG23  ILE  52          3HG2      ILE  52 -10.216  -1.457   2.919
  385   HD11  ILE  52          3HD       ILE  52  -5.649  -0.728   1.723
  386   HD12  ILE  52          1HD       ILE  52  -6.375   0.843   1.425
  387   HD13  ILE  52          2HD       ILE  52  -7.301  -0.625   1.127
  388    H    SER  53           H        SER  53 -10.872   1.410   4.462
  389    HA   SER  53           HA       SER  53 -13.108   0.313   3.054
  390    HB2  SER  53           2HB      SER  53 -12.907   0.199   5.509
  391    HB3  SER  53           1HB      SER  53 -13.023   1.954   5.598
  392    HG   SER  53           HG       SER  53 -14.973   0.320   4.350
  393    H    GLU  54           H        GLU  54 -11.699   3.452   3.290
  394    HA   GLU  54           HA       GLU  54 -14.118   4.700   2.119
  395    HB2  GLU  54           2HB      GLU  54 -13.065   5.676   4.235
  396    HB3  GLU  54           1HB      GLU  54 -11.706   6.154   3.221
  397    HG2  GLU  54           2HG      GLU  54 -13.055   7.622   1.924
  398    HG3  GLU  54           1HG      GLU  54 -14.550   6.913   2.525
  399    H    VAL  55           H        VAL  55 -11.594   3.134   0.983
  400    HA   VAL  55           HA       VAL  55 -11.145   5.019  -1.273
  401    HB   VAL  55           HB       VAL  55  -9.198   3.107   0.034
  402   HG11  VAL  55          1HG1      VAL  55  -7.633   4.094  -1.750
  403   HG12  VAL  55          2HG1      VAL  55  -9.098   4.617  -2.585
  404   HG13  VAL  55          3HG1      VAL  55  -8.805   2.901  -2.305
  405   HG21  VAL  55          3HG2      VAL  55  -9.641   5.457   0.992
  406   HG22  VAL  55          1HG2      VAL  55  -8.929   6.075  -0.496
  407   HG23  VAL  55          2HG2      VAL  55  -7.968   5.074   0.590
  408    H    ASP  56           H        ASP  56 -11.433   1.648  -0.221
  409    HA   ASP  56           HA       ASP  56 -11.178   0.356  -2.665
  410    HB2  ASP  56           2HB      ASP  56 -11.391  -0.789  -0.475
  411    HB3  ASP  56           1HB      ASP  56 -13.101  -0.357  -0.440
  412    H    ALA  57           H        ALA  57 -12.100   1.733  -4.258
  413    HA   ALA  57           HA       ALA  57 -14.914   2.343  -4.229
  414    HB1  ALA  57           1HB      ALA  57 -12.914   2.516  -6.497
  415    HB2  ALA  57           2HB      ALA  57 -13.276   3.810  -5.354
  416    HB3  ALA  57           3HB      ALA  57 -14.519   3.247  -6.471
  417    H    ASP  58           H        ASP  58 -12.827   0.090  -6.015
  418    HA   ASP  58           HA       ASP  58 -14.670  -1.069  -7.730
  419    HB2  ASP  58           2HB      ASP  58 -12.533  -2.590  -6.235
  420    HB3  ASP  58           1HB      ASP  58 -13.225  -2.979  -7.808
  421    H    GLY  59           H        GLY  59 -14.232  -1.552  -4.281
  422    HA2  GLY  59           2HA      GLY  59 -15.754  -2.410  -2.747
  423    HA3  GLY  59           1HA      GLY  59 -16.828  -2.816  -4.082
  424    H    ASN  60           H        ASN  60 -13.715  -3.912  -4.696
  425    HA   ASN  60           HA       ASN  60 -14.515  -6.681  -4.226
  426    HB2  ASN  60           2HB      ASN  60 -12.380  -7.197  -5.407
  427    HB3  ASN  60           1HB      ASN  60 -13.471  -6.182  -6.349
  428   HD21  ASN  60          1HD2      ASN  60 -10.934  -5.956  -7.204
  429   HD22  ASN  60          2HD2      ASN  60 -10.187  -4.543  -6.634
  430    H    GLY  61           H        GLY  61 -13.090  -4.306  -2.416
  431    HA2  GLY  61           2HA      GLY  61 -11.950  -4.333  -0.416
  432    HA3  GLY  61           1HA      GLY  61 -12.292  -6.059  -0.342
  433    H    THR  62           H        THR  62 -10.399  -4.142  -2.672
  434    HA   THR  62           HA       THR  62  -7.931  -5.500  -1.812
  435    HB   THR  62           HB       THR  62  -7.376  -6.103  -4.123
  436    HG1  THR  62           1HG      THR  62  -8.689  -4.459  -5.082
  437   HG21  THR  62          3HG2      THR  62  -8.726  -7.627  -2.566
  438   HG22  THR  62          1HG2      THR  62  -8.798  -8.003  -4.287
  439   HG23  THR  62          2HG2      THR  62 -10.139  -7.160  -3.514
  440    H    ILE  63           H        ILE  63  -6.016  -4.432  -2.470
  441    HA   ILE  63           HA       ILE  63  -6.380  -1.556  -2.844
  442    HB   ILE  63           HB       ILE  63  -3.944  -3.249  -2.252
  443   HG12  ILE  63          2HG1      ILE  63  -5.339  -1.172  -0.551
  444   HG13  ILE  63          1HG1      ILE  63  -5.721  -2.893  -0.466
  445   HG21  ILE  63          1HG2      ILE  63  -4.274  -0.278  -2.710
  446   HG22  ILE  63          2HG2      ILE  63  -3.129  -1.375  -3.482
  447   HG23  ILE  63          3HG2      ILE  63  -2.926  -0.940  -1.786
  448   HD11  ILE  63          3HD       ILE  63  -4.070  -2.365   1.252
  449   HD12  ILE  63          1HD       ILE  63  -3.014  -1.627   0.047
  450   HD13  ILE  63          2HD       ILE  63  -3.315  -3.364   0.012
  451    H    GLU  64           H        GLU  64  -5.219  -0.374  -4.458
  452    HA   GLU  64           HA       GLU  64  -4.197  -1.878  -6.767
  453    HB2  GLU  64           2HB      GLU  64  -6.261   0.276  -7.198
  454    HB3  GLU  64           1HB      GLU  64  -5.696  -0.958  -8.323
  455    HG2  GLU  64           2HG      GLU  64  -6.712  -2.701  -6.844
  456    HG3  GLU  64           1HG      GLU  64  -7.373  -1.412  -5.840
  457    H    PHE  65           H        PHE  65  -3.652  -0.064  -8.534
  458    HA   PHE  65           HA       PHE  65  -1.480   1.421  -7.586
  459    HB2  PHE  65           2HB      PHE  65  -3.204   1.804 -10.042
  460    HB3  PHE  65           1HB      PHE  65  -1.712   2.694  -9.744
  461    HD1  PHE  65           1HD      PHE  65   0.463   1.513  -9.642
  462    HD2  PHE  65           2HD      PHE  65  -3.176  -0.534 -10.650
  463    HE1  PHE  65           1HE      PHE  65   1.780  -0.394 -10.526
  464    HE2  PHE  65           2HE      PHE  65  -1.860  -2.440 -11.533
  465    HZ   PHE  65           HZ       PHE  65   0.618  -2.371 -11.472
  466    H    ASP  66           H        ASP  66  -4.321   3.051  -8.959
  467    HA   ASP  66           HA       ASP  66  -3.934   5.522  -7.800
  468    HB2  ASP  66           2HB      ASP  66  -5.674   5.110  -9.469
  469    HB3  ASP  66           1HB      ASP  66  -6.570   4.125  -8.313
  470    H    GLU  67           H        GLU  67  -5.975   2.930  -6.436
  471    HA   GLU  67           HA       GLU  67  -6.685   4.164  -4.062
  472    HB2  GLU  67           2HB      GLU  67  -5.998   1.250  -4.520
  473    HB3  GLU  67           1HB      GLU  67  -6.877   1.874  -3.124
  474    HG2  GLU  67           2HG      GLU  67  -8.625   2.765  -4.633
  475    HG3  GLU  67           1HG      GLU  67  -7.751   2.115  -6.019
  476    H    PHE  68           H        PHE  68  -3.689   2.444  -4.829
  477    HA   PHE  68           HA       PHE  68  -2.617   2.639  -2.185
  478    HB2  PHE  68           2HB      PHE  68  -1.840   0.926  -3.783
  479    HB3  PHE  68           1HB      PHE  68  -1.212   2.193  -4.837
  480    HD1  PHE  68           1HD      PHE  68  -0.888   0.672  -1.456
  481    HD2  PHE  68           2HD      PHE  68   0.902   3.210  -4.423
  482    HE1  PHE  68           1HE      PHE  68   1.221   0.703  -0.156
  483    HE2  PHE  68           2HE      PHE  68   3.012   3.242  -3.123
  484    HZ   PHE  68           HZ       PHE  68   3.172   1.989  -0.987
  485    H    LEU  69           H        LEU  69  -2.206   4.531  -5.145
  486    HA   LEU  69           HA       LEU  69  -0.247   6.310  -4.156
  487    HB2  LEU  69           2HB      LEU  69  -2.354   6.665  -6.300
  488    HB3  LEU  69           1HB      LEU  69  -1.024   7.786  -6.023
  489    HG   LEU  69           HG       LEU  69  -0.552   4.836  -6.517
  490   HD11  LEU  69          1HD1      LEU  69  -1.697   5.491  -8.487
  491   HD12  LEU  69          2HD1      LEU  69   0.010   5.641  -8.899
  492   HD13  LEU  69          3HD1      LEU  69  -0.930   7.079  -8.505
  493   HD21  LEU  69          3HD2      LEU  69   1.416   5.874  -5.667
  494   HD22  LEU  69          1HD2      LEU  69   1.146   7.342  -6.606
  495   HD23  LEU  69          2HD2      LEU  69   1.649   5.859  -7.411
  496    H    SER  70           H        SER  70  -3.760   6.323  -4.033
  497    HA   SER  70           HA       SER  70  -4.101   8.954  -3.071
  498    HB2  SER  70           2HB      SER  70  -6.303   8.156  -2.281
  499    HB3  SER  70           1HB      SER  70  -5.974   7.651  -3.936
  500    HG   SER  70           HG       SER  70  -4.981   5.829  -2.269
  501    H    LEU  71           H        LEU  71  -3.647   5.856  -1.416
  502    HA   LEU  71           HA       LEU  71  -3.986   6.734   1.213
  503    HB2  LEU  71           2HB      LEU  71  -3.847   4.374   0.611
  504    HB3  LEU  71           1HB      LEU  71  -2.161   4.572   0.144
  505    HG   LEU  71           HG       LEU  71  -2.766   5.538   2.898
  506   HD11  LEU  71          1HD1      LEU  71  -3.070   2.611   2.179
  507   HD12  LEU  71          2HD1      LEU  71  -4.245   3.648   2.989
  508   HD13  LEU  71          3HD1      LEU  71  -2.758   3.187   3.817
  509   HD21  LEU  71          3HD2      LEU  71  -0.724   3.482   2.026
  510   HD22  LEU  71          1HD2      LEU  71  -0.646   4.596   3.391
  511   HD23  LEU  71          2HD2      LEU  71  -0.478   5.205   1.744
  512    H    MET  72           H        MET  72  -1.153   6.787  -0.889
  513    HA   MET  72           HA       MET  72   0.656   7.701   1.127
  514    HB2  MET  72           2HB      MET  72   0.818   7.821  -1.892
  515    HB3  MET  72           1HB      MET  72   2.145   8.206  -0.795
  516    HG2  MET  72           2HG      MET  72   0.691   5.547  -0.804
  517    HG3  MET  72           1HG      MET  72   2.199   5.843  -1.670
  518    HE1  MET  72           3HE      MET  72   4.373   5.604  -0.813
  519    HE2  MET  72           1HE      MET  72   4.917   6.026   0.816
  520    HE3  MET  72           2HE      MET  72   4.214   7.258  -0.228
  521    H    ALA  73           H        ALA  73  -1.272   9.275  -1.383
  522    HA   ALA  73           HA       ALA  73  -0.322  11.857  -1.284
  523    HB1  ALA  73           1HB      ALA  73  -2.556  12.583  -1.972
  524    HB2  ALA  73           2HB      ALA  73  -3.231  11.037  -1.457
  525    HB3  ALA  73           3HB      ALA  73  -2.108  11.100  -2.813
  526    H    LYS  74           H        LYS  74  -2.670  10.330   0.885
  527    HA   LYS  74           HA       LYS  74  -2.956  12.713   2.505
  528    HB2  LYS  74           2HB      LYS  74  -3.869   9.863   2.949
  529    HB3  LYS  74           1HB      LYS  74  -4.301  11.229   3.976
  530    HG2  LYS  74           2HG      LYS  74  -5.145  12.347   1.788
  531    HG3  LYS  74           1HG      LYS  74  -5.064  10.726   1.099
  532    HD2  LYS  74           2HD      LYS  74  -7.257  10.727   1.879
  533    HD3  LYS  74           1HD      LYS  74  -6.432  10.070   3.290
  534    HE2  LYS  74           2HE      LYS  74  -6.325  12.337   4.278
  535    HE3  LYS  74           1HE      LYS  74  -7.164  12.985   2.868
  536    HZ1  LYS  74           3HZ      LYS  74  -8.924  12.620   4.228
  537    HZ2  LYS  74           1HZ      LYS  74  -8.188  11.331   5.047
  538    HZ3  LYS  74           2HZ      LYS  74  -8.849  11.087   3.501
  539    H    LYS  75           H        LYS  75  -1.517   9.475   2.988
  540    HA   LYS  75           HA       LYS  75  -0.502   9.923   5.562
  541    HB2  LYS  75           2HB      LYS  75  -0.618   7.703   4.411
  542    HB3  LYS  75           1HB      LYS  75   0.738   8.204   3.403
  543    HG2  LYS  75           2HG      LYS  75   2.116   8.537   5.435
  544    HG3  LYS  75           1HG      LYS  75   0.765   7.985   6.425
  545    HD2  LYS  75           2HD      LYS  75   0.800   5.808   5.282
  546    HD3  LYS  75           1HD      LYS  75   2.130   6.357   4.262
  547    HE2  LYS  75           2HE      LYS  75   3.506   6.720   6.305
  548    HE3  LYS  75           1HE      LYS  75   2.190   6.068   7.279
  549    HZ1  LYS  75           3HZ      LYS  75   2.346   4.045   5.805
  550    HZ2  LYS  75           1HZ      LYS  75   3.631   4.282   6.885
  551    HZ3  LYS  75           2HZ      LYS  75   3.821   4.672   5.242
  552    H    VAL  76           H        VAL  76   1.232  10.142   2.449
  553    HA   VAL  76           HA       VAL  76   3.613  11.204   3.509
  554    HB   VAL  76           HB       VAL  76   2.456  11.602   0.738
  555   HG11  VAL  76          1HG1      VAL  76   4.933  11.763   0.177
  556   HG12  VAL  76          2HG1      VAL  76   5.232  11.899   1.911
  557   HG13  VAL  76          3HG1      VAL  76   4.276  13.128   1.081
  558   HG21  VAL  76          3HG2      VAL  76   4.333   9.472   1.814
  559   HG22  VAL  76          1HG2      VAL  76   3.777   9.619   0.146
  560   HG23  VAL  76          2HG2      VAL  76   2.631   9.216   1.425
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1  -0.843  18.175   1.660
    2    H2   ALA   1           2HT      ALA   1  -0.784  16.514   1.305
    3    H3   ALA   1           3HT      ALA   1  -2.281  17.310   1.415
    4    HA   ALA   1           HA       ALA   1  -1.820  17.000  -0.880
    5    HB1  ALA   1           2HB      ALA   1  -2.845  19.131  -0.371
    6    HB2  ALA   1           3HB      ALA   1  -1.614  19.406  -1.604
    7    HB3  ALA   1           1HB      ALA   1  -1.287  19.825   0.077
    8    H    ASP   2           H        ASP   2  -0.069  15.793  -1.501
    9    HA   ASP   2           HA       ASP   2   2.292  17.248  -2.331
   10    HB2  ASP   2           2HB      ASP   2   2.712  16.624   0.091
   11    HB3  ASP   2           1HB      ASP   2   2.663  14.937  -0.419
   12    H    ILE   3           H        ILE   3   3.956  15.435  -3.155
   13    HA   ILE   3           HA       ILE   3   2.447  13.291  -4.530
   14    HB   ILE   3           HB       ILE   3   4.361  15.249  -5.827
   15   HG12  ILE   3          2HG1      ILE   3   1.453  14.646  -6.443
   16   HG13  ILE   3          1HG1      ILE   3   1.971  15.991  -5.429
   17   HG21  ILE   3          1HG2      ILE   3   4.787  13.093  -6.779
   18   HG22  ILE   3          2HG2      ILE   3   3.708  13.915  -7.906
   19   HG23  ILE   3          3HG2      ILE   3   3.070  12.693  -6.806
   20   HD11  ILE   3          3HD       ILE   3   3.299  16.904  -7.285
   21   HD12  ILE   3          1HD       ILE   3   1.613  16.713  -7.768
   22   HD13  ILE   3          2HD       ILE   3   2.820  15.546  -8.304
   23    H    LEU   4           H        LEU   4   3.657  11.466  -5.060
   24    HA   LEU   4           HA       LEU   4   5.673  10.693  -3.287
   25    HB2  LEU   4           2HB      LEU   4   5.230   9.590  -6.068
   26    HB3  LEU   4           1HB      LEU   4   5.961   8.758  -4.695
   27    HG   LEU   4           HG       LEU   4   3.097   9.750  -4.838
   28   HD11  LEU   4          1HD1      LEU   4   4.375   7.026  -5.119
   29   HD12  LEU   4          2HD1      LEU   4   3.260   7.829  -6.223
   30   HD13  LEU   4          3HD1      LEU   4   2.681   7.218  -4.673
   31   HD21  LEU   4          3HD2      LEU   4   4.753   8.477  -2.658
   32   HD22  LEU   4          1HD2      LEU   4   3.011   8.206  -2.717
   33   HD23  LEU   4          2HD2      LEU   4   3.640   9.842  -2.552
   34    H    SER   5           H        SER   5   7.891   9.983  -3.954
   35    HA   SER   5           HA       SER   5   9.220  12.188  -5.404
   36    HB2  SER   5           2HB      SER   5  10.449  12.084  -3.485
   37    HB3  SER   5           1HB      SER   5   9.909  10.452  -3.120
   38    HG   SER   5           HG       SER   5  12.240  11.041  -3.907
   39    H    GLU   6           H        GLU   6  10.029  11.845  -7.378
   40    HA   GLU   6           HA       GLU   6   9.665   9.759  -9.024
   41    HB2  GLU   6           2HB      GLU   6  10.785  11.885  -9.651
   42    HB3  GLU   6           1HB      GLU   6  12.262  11.301  -8.884
   43    HG2  GLU   6           2HG      GLU   6  12.336   9.389 -10.413
   44    HG3  GLU   6           1HG      GLU   6  10.819   9.899 -11.152
   45    H    GLU   7           H        GLU   7  12.890  10.077  -7.547
   46    HA   GLU   7           HA       GLU   7  13.816   7.541  -8.044
   47    HB2  GLU   7           2HB      GLU   7  14.305   9.312  -5.642
   48    HB3  GLU   7           1HB      GLU   7  15.238   7.856  -5.990
   49    HG2  GLU   7           2HG      GLU   7  15.927   8.786  -8.150
   50    HG3  GLU   7           1HG      GLU   7  14.944  10.220  -7.866
   51    H    GLN   8           H        GLN   8  11.494   8.543  -5.627
   52    HA   GLN   8           HA       GLN   8  11.624   6.061  -4.146
   53    HB2  GLN   8           2HB      GLN   8  10.926   8.362  -3.235
   54    HB3  GLN   8           1HB      GLN   8   9.376   8.070  -4.017
   55    HG2  GLN   8           2HG      GLN   8   9.136   5.961  -2.766
   56    HG3  GLN   8           1HG      GLN   8  10.679   6.266  -1.968
   57   HE21  GLN   8          1HE2      GLN   8   8.158   6.049  -0.542
   58   HE22  GLN   8          2HE2      GLN   8   7.843   7.560   0.162
   59    H    ILE   9           H        ILE   9   9.844   7.330  -6.854
   60    HA   ILE   9           HA       ILE   9   7.659   5.517  -6.751
   61    HB   ILE   9           HB       ILE   9   8.153   7.733  -8.220
   62   HG12  ILE   9          2HG1      ILE   9   6.243   6.972  -9.711
   63   HG13  ILE   9          1HG1      ILE   9   6.368   5.391  -8.948
   64   HG21  ILE   9          1HG2      ILE   9   8.629   7.285 -10.508
   65   HG22  ILE   9          2HG2      ILE   9   8.482   5.547 -10.285
   66   HG23  ILE   9          3HG2      ILE   9   9.854   6.403  -9.612
   67   HD11  ILE   9          3HD       ILE   9   6.175   7.684  -7.058
   68   HD12  ILE   9          1HD       ILE   9   5.392   6.105  -7.012
   69   HD13  ILE   9          2HD       ILE   9   4.747   7.382  -8.038
   70    H    VAL  10           H        VAL  10  10.886   5.379  -8.120
   71    HA   VAL  10           HA       VAL  10  10.415   2.917  -9.540
   72    HB   VAL  10           HB       VAL  10  13.020   4.281  -8.810
   73   HG11  VAL  10          1HG1      VAL  10  12.337   2.025 -10.716
   74   HG12  VAL  10          2HG1      VAL  10  13.418   1.959  -9.324
   75   HG13  VAL  10          3HG1      VAL  10  13.869   2.899 -10.746
   76   HG21  VAL  10          3HG2      VAL  10  12.785   4.778 -11.416
   77   HG22  VAL  10          1HG2      VAL  10  11.992   5.817 -10.238
   78   HG23  VAL  10          2HG2      VAL  10  11.066   4.580 -11.089
   79    H    ASP  11           H        ASP  11  12.037   3.834  -6.526
   80    HA   ASP  11           HA       ASP  11  13.069   1.361  -5.778
   81    HB2  ASP  11           2HB      ASP  11  13.557   3.419  -4.562
   82    HB3  ASP  11           1HB      ASP  11  11.882   3.520  -4.023
   83    H    PHE  12           H        PHE  12   9.868   2.743  -5.014
   84    HA   PHE  12           HA       PHE  12   8.938   0.433  -3.654
   85    HB2  PHE  12           2HB      PHE  12   7.609   2.865  -4.843
   86    HB3  PHE  12           1HB      PHE  12   6.622   1.539  -4.231
   87    HD1  PHE  12           1HD      PHE  12   9.703   3.408  -3.152
   88    HD2  PHE  12           2HD      PHE  12   5.883   1.791  -2.031
   89    HE1  PHE  12           1HE      PHE  12  10.024   4.250  -0.843
   90    HE2  PHE  12           2HE      PHE  12   6.206   2.632   0.277
   91    HZ   PHE  12           HZ       PHE  12   8.276   3.861   0.872
   92    H    LYS  13           H        LYS  13   8.546   1.574  -7.002
   93    HA   LYS  13           HA       LYS  13   6.800  -0.401  -7.905
   94    HB2  LYS  13           2HB      LYS  13   7.480   1.605  -9.200
   95    HB3  LYS  13           1HB      LYS  13   9.068   0.878  -9.446
   96    HG2  LYS  13           2HG      LYS  13   8.078  -1.000 -10.634
   97    HG3  LYS  13           1HG      LYS  13   6.453  -0.402 -10.291
   98    HD2  LYS  13           2HD      LYS  13   6.952   1.658 -11.575
   99    HD3  LYS  13           1HD      LYS  13   8.555   1.021 -11.951
  100    HE2  LYS  13           2HE      LYS  13   5.922  -0.277 -12.711
  101    HE3  LYS  13           1HE      LYS  13   6.987   0.601 -13.809
  102    HZ1  LYS  13           3HZ      LYS  13   7.755  -1.483 -14.157
  103    HZ2  LYS  13           1HZ      LYS  13   7.310  -2.043 -12.618
  104    HZ3  LYS  13           2HZ      LYS  13   8.716  -1.107 -12.808
  105    H    GLU  14           H        GLU  14  10.342  -0.420  -7.686
  106    HA   GLU  14           HA       GLU  14  10.802  -2.881  -8.946
  107    HB2  GLU  14           2HB      GLU  14  12.532  -1.161  -8.268
  108    HB3  GLU  14           1HB      GLU  14  12.399  -1.788  -6.625
  109    HG2  GLU  14           2HG      GLU  14  14.233  -2.946  -7.646
  110    HG3  GLU  14           1HG      GLU  14  12.891  -4.088  -7.580
  111    H    ALA  15           H        ALA  15  10.217  -2.105  -5.526
  112    HA   ALA  15           HA       ALA  15  10.417  -4.792  -4.585
  113    HB1  ALA  15           1HB      ALA  15   9.394  -3.929  -2.538
  114    HB2  ALA  15           2HB      ALA  15   8.964  -2.433  -3.367
  115    HB3  ALA  15           3HB      ALA  15  10.660  -2.841  -3.106
  116    H    PHE  16           H        PHE  16   7.807  -2.825  -5.879
  117    HA   PHE  16           HA       PHE  16   5.655  -4.517  -5.095
  118    HB2  PHE  16           2HB      PHE  16   5.380  -2.142  -5.776
  119    HB3  PHE  16           1HB      PHE  16   5.786  -2.599  -7.430
  120    HD1  PHE  16           1HD      PHE  16   4.339  -4.294  -8.636
  121    HD2  PHE  16           2HD      PHE  16   3.195  -2.508  -4.901
  122    HE1  PHE  16           1HE      PHE  16   1.989  -4.973  -9.032
  123    HE2  PHE  16           2HE      PHE  16   0.843  -3.187  -5.299
  124    HZ   PHE  16           HZ       PHE  16   0.241  -4.416  -7.364
  125    H    GLY  17           H        GLY  17   7.465  -4.169  -8.151
  126    HA2  GLY  17           2HA      GLY  17   6.083  -6.175  -9.580
  127    HA3  GLY  17           1HA      GLY  17   7.701  -5.583  -9.948
  128    H    LEU  18           H        LEU  18   8.780  -6.305  -7.316
  129    HA   LEU  18           HA       LEU  18   9.541  -8.990  -7.925
  130    HB2  LEU  18           2HB      LEU  18  10.029  -7.175  -5.563
  131    HB3  LEU  18           1HB      LEU  18  10.662  -8.817  -5.626
  132    HG   LEU  18           HG       LEU  18  11.143  -6.835  -7.865
  133   HD11  LEU  18          1HD1      LEU  18  13.425  -6.538  -6.735
  134   HD12  LEU  18          2HD1      LEU  18  12.675  -7.212  -5.287
  135   HD13  LEU  18          3HD1      LEU  18  12.060  -5.713  -5.982
  136   HD21  LEU  18          3HD2      LEU  18  13.259  -8.346  -8.024
  137   HD22  LEU  18          1HD2      LEU  18  11.731  -9.019  -8.579
  138   HD23  LEU  18          2HD2      LEU  18  12.370  -9.466  -7.000
  139    H    PHE  19           H        PHE  19   7.352  -7.514  -5.588
  140    HA   PHE  19           HA       PHE  19   6.663 -10.126  -4.456
  141    HB2  PHE  19           2HB      PHE  19   6.885  -8.003  -3.069
  142    HB3  PHE  19           1HB      PHE  19   5.405  -7.445  -3.848
  143    HD1  PHE  19           1HD      PHE  19   6.808 -10.376  -1.991
  144    HD2  PHE  19           2HD      PHE  19   3.318  -8.065  -2.956
  145    HE1  PHE  19           1HE      PHE  19   5.472 -11.725  -0.396
  146    HE2  PHE  19           2HE      PHE  19   1.984  -9.415  -1.360
  147    HZ   PHE  19           HZ       PHE  19   3.060 -11.244  -0.080
  148    H    ASP  20           H        ASP  20   5.651  -8.112  -7.002
  149    HA   ASP  20           HA       ASP  20   3.035  -9.517  -7.135
  150    HB2  ASP  20           2HB      ASP  20   3.002  -6.991  -6.912
  151    HB3  ASP  20           1HB      ASP  20   3.748  -6.926  -8.508
  152    H    LYS  21           H        LYS  21   3.492 -11.279  -8.393
  153    HA   LYS  21           HA       LYS  21   4.878 -10.817 -10.977
  154    HB2  LYS  21           2HB      LYS  21   4.570 -13.330  -9.319
  155    HB3  LYS  21           1HB      LYS  21   5.287 -13.274 -10.930
  156    HG2  LYS  21           2HG      LYS  21   7.078 -11.875 -10.191
  157    HG3  LYS  21           1HG      LYS  21   6.276 -11.544  -8.656
  158    HD2  LYS  21           2HD      LYS  21   8.040 -13.186  -8.294
  159    HD3  LYS  21           1HD      LYS  21   6.473 -13.962  -8.073
  160    HE2  LYS  21           2HE      LYS  21   6.590 -15.057 -10.172
  161    HE3  LYS  21           1HE      LYS  21   7.890 -14.008 -10.740
  162    HZ1  LYS  21           3HZ      LYS  21   9.264 -14.968  -8.899
  163    HZ2  LYS  21           1HZ      LYS  21   8.868 -16.054 -10.141
  164    HZ3  LYS  21           2HZ      LYS  21   8.034 -16.116  -8.661
  165    H    ASP  22           H        ASP  22   2.013 -12.081  -9.402
  166    HA   ASP  22           HA       ASP  22   0.795 -13.587 -11.328
  167    HB2  ASP  22           2HB      ASP  22  -1.377 -12.695 -10.459
  168    HB3  ASP  22           1HB      ASP  22  -0.268 -13.217  -9.191
  169    H    GLY  23           H        GLY  23   1.730 -10.329 -11.592
  170    HA2  GLY  23           2HA      GLY  23   1.576  -8.814 -13.318
  171    HA3  GLY  23           1HA      GLY  23   0.935 -10.121 -14.309
  172    H    ASP  24           H        ASP  24  -1.038 -10.204 -11.774
  173    HA   ASP  24           HA       ASP  24  -3.302  -9.193 -13.053
  174    HB2  ASP  24           2HB      ASP  24  -4.411  -9.355 -10.913
  175    HB3  ASP  24           1HB      ASP  24  -3.296 -10.712 -11.060
  176    H    GLY  25           H        GLY  25  -0.707  -7.479 -11.774
  177    HA2  GLY  25           2HA      GLY  25  -0.328  -5.197 -11.731
  178    HA3  GLY  25           1HA      GLY  25  -1.970  -4.955 -12.319
  179    H    CYS  26           H        CYS  26  -3.729  -5.385 -10.669
  180    HA   CYS  26           HA       CYS  26  -3.268  -3.768  -8.378
  181    HB2  CYS  26           2HB      CYS  26  -5.556  -5.533  -9.245
  182    HB3  CYS  26           1HB      CYS  26  -5.586  -4.641  -7.726
  183    HG   CYS  26           HG       CYS  26  -5.330  -2.410  -9.138
  184    H    ILE  27           H        ILE  27  -3.862  -4.539  -6.128
  185    HA   ILE  27           HA       ILE  27  -2.980  -7.296  -5.609
  186    HB   ILE  27           HB       ILE  27  -1.712  -6.251  -3.587
  187   HG12  ILE  27          2HG1      ILE  27  -1.522  -3.854  -5.422
  188   HG13  ILE  27          1HG1      ILE  27  -2.811  -3.951  -4.225
  189   HG21  ILE  27          1HG2      ILE  27  -0.852  -6.271  -6.473
  190   HG22  ILE  27          2HG2      ILE  27  -0.296  -7.268  -5.132
  191   HG23  ILE  27          3HG2      ILE  27   0.244  -5.602  -5.265
  192   HD11  ILE  27          3HD       ILE  27  -0.625  -2.780  -3.515
  193   HD12  ILE  27          1HD       ILE  27   0.071  -4.400  -3.452
  194   HD13  ILE  27          2HD       ILE  27  -1.296  -3.986  -2.421
  195    H    THR  28           H        THR  28  -3.436  -7.955  -3.354
  196    HA   THR  28           HA       THR  28  -6.120  -7.071  -2.619
  197    HB   THR  28           HB       THR  28  -4.769  -9.194  -1.018
  198    HG1  THR  28           1HG      THR  28  -4.414  -9.175  -3.590
  199   HG21  THR  28          3HG2      THR  28  -7.345  -9.383  -2.573
  200   HG22  THR  28          1HG2      THR  28  -7.274  -8.462  -1.072
  201   HG23  THR  28          2HG2      THR  28  -6.904 -10.183  -1.065
  202    H    VAL  29           H        VAL  29  -6.326  -7.392  -0.001
  203    HA   VAL  29           HA       VAL  29  -4.966  -5.092   1.037
  204    HB   VAL  29           HB       VAL  29  -6.853  -7.051   2.364
  205   HG11  VAL  29          1HG1      VAL  29  -7.124  -5.105   3.984
  206   HG12  VAL  29          2HG1      VAL  29  -5.680  -4.406   3.254
  207   HG13  VAL  29          3HG1      VAL  29  -5.584  -5.959   4.082
  208   HG21  VAL  29          3HG2      VAL  29  -8.499  -5.220   2.030
  209   HG22  VAL  29          1HG2      VAL  29  -7.861  -5.808   0.494
  210   HG23  VAL  29          2HG2      VAL  29  -7.270  -4.291   1.170
  211    H    GLU  30           H        GLU  30  -4.839  -8.592   1.488
  212    HA   GLU  30           HA       GLU  30  -3.102  -8.620   3.725
  213    HB2  GLU  30           2HB      GLU  30  -3.610 -10.683   1.571
  214    HB3  GLU  30           1HB      GLU  30  -2.642 -10.981   3.017
  215    HG2  GLU  30           2HG      GLU  30  -4.550 -10.478   4.449
  216    HG3  GLU  30           1HG      GLU  30  -5.528 -10.059   3.041
  217    H    GLU  31           H        GLU  31  -2.457  -9.034   0.238
  218    HA   GLU  31           HA       GLU  31   0.238  -9.444   0.215
  219    HB2  GLU  31           2HB      GLU  31  -1.471  -7.701  -1.570
  220    HB3  GLU  31           1HB      GLU  31   0.247  -7.942  -1.887
  221    HG2  GLU  31           2HG      GLU  31  -0.046 -10.315  -2.128
  222    HG3  GLU  31           1HG      GLU  31  -1.700 -10.231  -1.527
  223    H    LEU  32           H        LEU  32  -1.167  -6.134   0.123
  224    HA   LEU  32           HA       LEU  32   1.286  -4.873   0.590
  225    HB2  LEU  32           2HB      LEU  32  -1.169  -4.005  -0.106
  226    HB3  LEU  32           1HB      LEU  32  -1.240  -3.612   1.604
  227    HG   LEU  32           HG       LEU  32  -0.403  -1.684   0.390
  228   HD11  LEU  32          1HD1      LEU  32   0.635  -2.502   2.640
  229   HD12  LEU  32          2HD1      LEU  32   1.447  -1.218   1.748
  230   HD13  LEU  32          3HD1      LEU  32   2.054  -2.868   1.663
  231   HD21  LEU  32          3HD2      LEU  32   0.736  -3.502  -1.367
  232   HD22  LEU  32          1HD2      LEU  32   2.150  -2.902  -0.505
  233   HD23  LEU  32          2HD2      LEU  32   1.080  -1.781  -1.342
  234    H    ALA  33           H        ALA  33  -1.198  -6.024   2.827
  235    HA   ALA  33           HA       ALA  33  -0.441  -4.896   5.180
  236    HB1  ALA  33           1HB      ALA  33  -2.223  -6.703   4.703
  237    HB2  ALA  33           2HB      ALA  33  -1.450  -6.698   6.287
  238    HB3  ALA  33           3HB      ALA  33  -0.944  -7.861   5.064
  239    H    THR  34           H        THR  34   0.811  -8.110   4.231
  240    HA   THR  34           HA       THR  34   2.858  -8.309   6.056
  241    HB   THR  34           HB       THR  34   3.080  -9.232   3.190
  242    HG1  THR  34           1HG      THR  34   1.054  -9.787   4.102
  243   HG21  THR  34          3HG2      THR  34   4.118 -10.288   5.834
  244   HG22  THR  34          1HG2      THR  34   5.081  -9.547   4.555
  245   HG23  THR  34          2HG2      THR  34   4.301 -11.105   4.281
  246    H    VAL  35           H        VAL  35   3.079  -6.953   2.756
  247    HA   VAL  35           HA       VAL  35   5.752  -6.246   2.737
  248    HB   VAL  35           HB       VAL  35   3.399  -4.774   1.549
  249   HG11  VAL  35          1HG1      VAL  35   5.223  -3.921  -0.037
  250   HG12  VAL  35          2HG1      VAL  35   6.381  -4.449   1.185
  251   HG13  VAL  35          3HG1      VAL  35   5.193  -3.206   1.576
  252   HG21  VAL  35          3HG2      VAL  35   3.776  -7.152   0.842
  253   HG22  VAL  35          1HG2      VAL  35   5.397  -6.693   0.321
  254   HG23  VAL  35          2HG2      VAL  35   3.983  -5.997  -0.473
  255    H    ILE  36           H        ILE  36   3.075  -4.690   4.370
  256    HA   ILE  36           HA       ILE  36   4.429  -2.249   5.011
  257    HB   ILE  36           HB       ILE  36   1.811  -3.198   5.257
  258   HG12  ILE  36          2HG1      ILE  36   1.470  -0.925   6.483
  259   HG13  ILE  36          1HG1      ILE  36   3.205  -0.714   6.271
  260   HG21  ILE  36          1HG2      ILE  36   2.489  -4.261   7.469
  261   HG22  ILE  36          2HG2      ILE  36   1.169  -3.102   7.578
  262   HG23  ILE  36          3HG2      ILE  36   2.796  -2.638   8.072
  263   HD11  ILE  36          3HD       ILE  36   2.653  -1.366   3.755
  264   HD12  ILE  36          1HD       ILE  36   2.406   0.283   4.331
  265   HD13  ILE  36          2HD       ILE  36   1.038  -0.820   4.204
  266    H    ARG  37           H        ARG  37   4.243  -5.409   6.481
  267    HA   ARG  37           HA       ARG  37   5.420  -4.624   8.964
  268    HB2  ARG  37           2HB      ARG  37   5.320  -7.337   7.628
  269    HB3  ARG  37           1HB      ARG  37   5.756  -7.038   9.311
  270    HG2  ARG  37           2HG      ARG  37   3.509  -5.940   9.623
  271    HG3  ARG  37           1HG      ARG  37   3.085  -6.472   7.995
  272    HD2  ARG  37           2HD      ARG  37   3.522  -8.819   8.665
  273    HD3  ARG  37           1HD      ARG  37   3.886  -8.272  10.298
  274    HE   ARG  37           HE       ARG  37   1.359  -7.284   9.704
  275   HH11  ARG  37          1HH2      ARG  37   2.959 -10.344   9.901
  276   HH12  ARG  37          2HH2      ARG  37   1.538 -11.213  10.379
  277   HH21  ARG  37          1HH1      ARG  37  -0.510  -8.416  10.330
  278   HH22  ARG  37          2HH1      ARG  37  -0.425 -10.120  10.621
  279    H    SER  38           H        SER  38   6.725  -5.947   5.958
  280    HA   SER  38           HA       SER  38   9.406  -6.209   6.867
  281    HB2  SER  38           2HB      SER  38   9.950  -6.363   4.466
  282    HB3  SER  38           1HB      SER  38   8.587  -7.393   4.894
  283    HG   SER  38           HG       SER  38   7.601  -5.027   4.304
  284    H    LEU  39           H        LEU  39   7.619  -3.617   5.246
  285    HA   LEU  39           HA       LEU  39   9.806  -1.916   4.733
  286    HB2  LEU  39           2HB      LEU  39   6.869  -1.393   5.177
  287    HB3  LEU  39           1HB      LEU  39   8.000  -0.091   4.816
  288    HG   LEU  39           HG       LEU  39   7.753  -2.571   3.094
  289   HD11  LEU  39          1HD1      LEU  39   6.357  -1.162   1.581
  290   HD12  LEU  39          2HD1      LEU  39   6.315   0.086   2.827
  291   HD13  LEU  39          3HD1      LEU  39   5.576  -1.485   3.128
  292   HD21  LEU  39          3HD2      LEU  39   8.616  -0.743   1.386
  293   HD22  LEU  39          1HD2      LEU  39   9.755  -1.519   2.479
  294   HD23  LEU  39          2HD2      LEU  39   9.146   0.095   2.840
  295    H    ASP  40           H        ASP  40  11.100  -0.875   6.055
  296    HA   ASP  40           HA       ASP  40  10.839  -0.955   8.869
  297    HB2  ASP  40           2HB      ASP  40  13.008  -0.710   7.682
  298    HB3  ASP  40           1HB      ASP  40  12.539   0.922   7.210
  299    H    GLN  41           H        GLN  41   8.492  -0.111   8.709
  300    HA   GLN  41           HA       GLN  41   8.561   2.758   9.343
  301    HB2  GLN  41           2HB      GLN  41   7.774   2.278   6.923
  302    HB3  GLN  41           1HB      GLN  41   6.324   1.609   7.666
  303    HG2  GLN  41           2HG      GLN  41   5.736   3.699   8.646
  304    HG3  GLN  41           1HG      GLN  41   7.328   4.386   8.342
  305   HE21  GLN  41          1HE2      GLN  41   5.077   5.760   7.425
  306   HE22  GLN  41          2HE2      GLN  41   5.006   5.670   5.732
  307    H    ASN  42           H        ASN  42   6.318   3.392  10.284
  308    HA   ASN  42           HA       ASN  42   5.049   1.195  11.772
  309    HB2  ASN  42           2HB      ASN  42   5.996   3.688  13.186
  310    HB3  ASN  42           1HB      ASN  42   5.381   2.196  13.897
  311   HD21  ASN  42          1HD2      ASN  42   8.052   3.205  11.672
  312   HD22  ASN  42          2HD2      ASN  42   9.199   2.154  12.350
  313    HA   PRO  43           HA       PRO  43   2.123   4.519  10.401
  314    HB2  PRO  43           2HB      PRO  43   0.729   3.131   8.521
  315    HB3  PRO  43           1HB      PRO  43   2.261   3.948   8.160
  316    HG2  PRO  43           2HG      PRO  43   1.712   1.057   8.561
  317    HG3  PRO  43           1HG      PRO  43   2.908   1.847   7.520
  318    HD2  PRO  43           2HD      PRO  43   3.428   0.699  10.061
  319    HD3  PRO  43           1HD      PRO  43   4.516   1.775   9.162
  320    H    THR  44           H        THR  44   0.074   4.787  11.229
  321    HA   THR  44           HA       THR  44  -0.876   2.930  13.153
  322    HB   THR  44           HB       THR  44  -2.855   4.439  13.263
  323    HG1  THR  44           1HG      THR  44  -2.271   4.933  10.823
  324   HG21  THR  44          3HG2      THR  44  -1.614   6.404  14.021
  325   HG22  THR  44          1HG2      THR  44  -0.195   5.880  13.117
  326   HG23  THR  44          2HG2      THR  44  -0.759   4.937  14.497
  327    H    GLU  45           H        GLU  45  -2.283   1.287  12.992
  328    HA   GLU  45           HA       GLU  45  -3.082   0.362  10.405
  329    HB2  GLU  45           2HB      GLU  45  -2.521  -1.162  12.291
  330    HB3  GLU  45           1HB      GLU  45  -3.972  -0.615  13.131
  331    HG2  GLU  45           2HG      GLU  45  -5.375  -1.431  11.300
  332    HG3  GLU  45           1HG      GLU  45  -3.944  -1.914  10.392
  333    H    GLU  46           H        GLU  46  -4.658   2.062  13.041
  334    HA   GLU  46           HA       GLU  46  -7.330   1.739  12.380
  335    HB2  GLU  46           2HB      GLU  46  -5.891   4.175  13.456
  336    HB3  GLU  46           1HB      GLU  46  -7.647   4.022  13.392
  337    HG2  GLU  46           2HG      GLU  46  -7.564   2.043  14.819
  338    HG3  GLU  46           1HG      GLU  46  -5.802   2.091  14.824
  339    H    GLU  47           H        GLU  47  -4.999   4.084  11.072
  340    HA   GLU  47           HA       GLU  47  -6.748   5.516   9.435
  341    HB2  GLU  47           2HB      GLU  47  -3.817   4.871   9.099
  342    HB3  GLU  47           1HB      GLU  47  -4.691   6.003   8.065
  343    HG2  GLU  47           2HG      GLU  47  -5.274   7.374  10.000
  344    HG3  GLU  47           1HG      GLU  47  -4.501   6.217  11.082
  345    H    LEU  48           H        LEU  48  -4.562   2.873   8.444
  346    HA   LEU  48           HA       LEU  48  -5.345   2.502   5.850
  347    HB2  LEU  48           2HB      LEU  48  -4.471   0.573   7.985
  348    HB3  LEU  48           1HB      LEU  48  -4.975  -0.056   6.416
  349    HG   LEU  48           HG       LEU  48  -3.306   1.316   5.284
  350   HD11  LEU  48          1HD1      LEU  48  -3.246   3.295   6.609
  351   HD12  LEU  48          2HD1      LEU  48  -1.648   2.567   6.786
  352   HD13  LEU  48          3HD1      LEU  48  -2.844   2.393   8.069
  353   HD21  LEU  48          3HD2      LEU  48  -2.196  -0.171   7.688
  354   HD22  LEU  48          1HD2      LEU  48  -1.248   0.301   6.277
  355   HD23  LEU  48          2HD2      LEU  48  -2.560  -0.865   6.108
  356    H    GLN  49           H        GLN  49  -6.966   1.163   8.727
  357    HA   GLN  49           HA       GLN  49  -8.968  -0.279   7.384
  358    HB2  GLN  49           2HB      GLN  49  -9.019   1.115  10.069
  359    HB3  GLN  49           1HB      GLN  49 -10.262  -0.003   9.508
  360    HG2  GLN  49           2HG      GLN  49  -8.598  -1.788   9.295
  361    HG3  GLN  49           1HG      GLN  49  -7.318  -0.675   9.774
  362   HE21  GLN  49          1HE2      GLN  49  -7.250  -2.638  11.484
  363   HE22  GLN  49          2HE2      GLN  49  -8.124  -2.351  12.911
  364    H    ASP  50           H        ASP  50  -8.965   3.090   8.539
  365    HA   ASP  50           HA       ASP  50 -11.593   3.715   7.662
  366    HB2  ASP  50           2HB      ASP  50  -9.171   5.423   8.220
  367    HB3  ASP  50           1HB      ASP  50 -10.744   6.089   7.786
  368    H    MET  51           H        MET  51  -8.413   4.353   6.172
  369    HA   MET  51           HA       MET  51  -9.430   5.560   3.833
  370    HB2  MET  51           2HB      MET  51  -6.823   4.149   4.419
  371    HB3  MET  51           1HB      MET  51  -7.157   4.941   2.882
  372    HG2  MET  51           2HG      MET  51  -7.350   6.328   5.569
  373    HG3  MET  51           1HG      MET  51  -5.928   6.397   4.530
  374    HE1  MET  51           3HE      MET  51  -6.719   8.590   1.667
  375    HE2  MET  51           1HE      MET  51  -6.462   6.843   1.742
  376    HE3  MET  51           2HE      MET  51  -5.530   7.919   2.780
  377    H    ILE  52           H        ILE  52  -7.983   2.316   4.117
  378    HA   ILE  52           HA       ILE  52  -8.591   1.315   1.659
  379    HB   ILE  52           HB       ILE  52  -8.758  -0.089   4.330
  380   HG12  ILE  52          2HG1      ILE  52  -6.556   0.857   3.724
  381   HG13  ILE  52          1HG1      ILE  52  -6.519  -0.900   3.742
  382   HG21  ILE  52          1HG2      ILE  52  -8.397  -2.177   2.902
  383   HG22  ILE  52          2HG2      ILE  52  -8.904  -1.199   1.525
  384   HG23  ILE  52          3HG2      ILE  52 -10.014  -1.474   2.867
  385   HD11  ILE  52          3HD       ILE  52  -5.466  -0.561   1.734
  386   HD12  ILE  52          1HD       ILE  52  -6.239   0.988   1.456
  387   HD13  ILE  52          2HD       ILE  52  -7.109  -0.504   1.121
  388    H    SER  53           H        SER  53 -10.795   1.344   4.453
  389    HA   SER  53           HA       SER  53 -12.972   0.195   2.996
  390    HB2  SER  53           2HB      SER  53 -12.794   0.037   5.449
  391    HB3  SER  53           1HB      SER  53 -12.976   1.786   5.571
  392    HG   SER  53           HG       SER  53 -14.855   0.175   4.209
  393    H    GLU  54           H        GLU  54 -11.674   3.372   3.305
  394    HA   GLU  54           HA       GLU  54 -14.120   4.564   2.129
  395    HB2  GLU  54           2HB      GLU  54 -13.128   5.527   4.281
  396    HB3  GLU  54           1HB      GLU  54 -11.776   6.077   3.294
  397    HG2  GLU  54           2HG      GLU  54 -13.168   7.520   2.007
  398    HG3  GLU  54           1HG      GLU  54 -14.642   6.748   2.585
  399    H    VAL  55           H        VAL  55 -11.518   3.115   1.003
  400    HA   VAL  55           HA       VAL  55 -11.106   5.062  -1.206
  401    HB   VAL  55           HB       VAL  55  -9.116   3.186   0.090
  402   HG11  VAL  55          1HG1      VAL  55  -7.559   4.259  -1.651
  403   HG12  VAL  55          2HG1      VAL  55  -9.026   4.745  -2.501
  404   HG13  VAL  55          3HG1      VAL  55  -8.680   3.036  -2.245
  405   HG21  VAL  55          3HG2      VAL  55  -9.642   5.496   1.089
  406   HG22  VAL  55          1HG2      VAL  55  -8.945   6.172  -0.381
  407   HG23  VAL  55          2HG2      VAL  55  -7.954   5.184   0.692
  408    H    ASP  56           H        ASP  56 -11.338   1.669  -0.231
  409    HA   ASP  56           HA       ASP  56 -10.991   0.440  -2.703
  410    HB2  ASP  56           2HB      ASP  56 -11.290  -0.653  -0.415
  411    HB3  ASP  56           1HB      ASP  56 -13.025  -0.464  -0.666
  412    H    ALA  57           H        ALA  57 -11.932   1.831  -4.274
  413    HA   ALA  57           HA       ALA  57 -14.730   2.434  -4.287
  414    HB1  ALA  57           1HB      ALA  57 -12.730   2.480  -6.560
  415    HB2  ALA  57           2HB      ALA  57 -13.080   3.826  -5.477
  416    HB3  ALA  57           3HB      ALA  57 -14.326   3.230  -6.572
  417    H    ASP  58           H        ASP  58 -12.709   0.141  -6.117
  418    HA   ASP  58           HA       ASP  58 -14.582  -1.058  -7.730
  419    HB2  ASP  58           2HB      ASP  58 -12.481  -2.594  -6.197
  420    HB3  ASP  58           1HB      ASP  58 -13.179  -2.999  -7.763
  421    H    GLY  59           H        GLY  59 -14.213  -1.344  -4.270
  422    HA2  GLY  59           2HA      GLY  59 -15.721  -2.143  -2.702
  423    HA3  GLY  59           1HA      GLY  59 -16.812  -2.561  -4.018
  424    H    ASN  60           H        ASN  60 -13.720  -3.768  -4.572
  425    HA   ASN  60           HA       ASN  60 -14.605  -6.495  -3.961
  426    HB2  ASN  60           2HB      ASN  60 -12.610  -7.165  -5.248
  427    HB3  ASN  60           1HB      ASN  60 -13.644  -6.073  -6.167
  428   HD21  ASN  60          1HD2      ASN  60 -11.083  -6.137  -7.069
  429   HD22  ASN  60          2HD2      ASN  60 -10.214  -4.765  -6.576
  430    H    GLY  61           H        GLY  61 -13.100  -4.097  -2.297
  431    HA2  GLY  61           2HA      GLY  61 -11.840  -4.051  -0.376
  432    HA3  GLY  61           1HA      GLY  61 -12.217  -5.763  -0.203
  433    H    THR  62           H        THR  62 -10.314  -3.848  -2.542
  434    HA   THR  62           HA       THR  62  -7.892  -5.344  -1.812
  435    HB   THR  62           HB       THR  62  -7.425  -5.891  -4.166
  436    HG1  THR  62           1HG      THR  62  -8.706  -4.229  -5.075
  437   HG21  THR  62          3HG2      THR  62  -8.744  -7.424  -2.585
  438   HG22  THR  62          1HG2      THR  62  -8.879  -7.763  -4.310
  439   HG23  THR  62          2HG2      THR  62 -10.179  -6.914  -3.475
  440    H    ILE  63           H        ILE  63  -5.957  -4.328  -2.478
  441    HA   ILE  63           HA       ILE  63  -6.221  -1.434  -2.800
  442    HB   ILE  63           HB       ILE  63  -3.840  -3.225  -2.269
  443   HG12  ILE  63          2HG1      ILE  63  -5.122  -1.122  -0.514
  444   HG13  ILE  63          1HG1      ILE  63  -5.590  -2.822  -0.456
  445   HG21  ILE  63          1HG2      ILE  63  -4.067  -0.236  -2.672
  446   HG22  ILE  63          2HG2      ILE  63  -2.975  -1.362  -3.481
  447   HG23  ILE  63          3HG2      ILE  63  -2.730  -0.963  -1.780
  448   HD11  ILE  63          3HD       ILE  63  -3.776  -2.058   1.213
  449   HD12  ILE  63          1HD       ILE  63  -2.704  -1.962  -0.182
  450   HD13  ILE  63          2HD       ILE  63  -3.432  -3.503   0.268
  451    H    GLU  64           H        GLU  64  -5.164  -0.261  -4.443
  452    HA   GLU  64           HA       GLU  64  -4.123  -1.740  -6.761
  453    HB2  GLU  64           2HB      GLU  64  -6.283   0.336  -7.126
  454    HB3  GLU  64           1HB      GLU  64  -5.647  -0.807  -8.311
  455    HG2  GLU  64           2HG      GLU  64  -6.541  -2.677  -6.891
  456    HG3  GLU  64           1HG      GLU  64  -7.304  -1.468  -5.862
  457    H    PHE  65           H        PHE  65  -3.643   0.085  -8.534
  458    HA   PHE  65           HA       PHE  65  -1.510   1.635  -7.607
  459    HB2  PHE  65           2HB      PHE  65  -3.269   1.960 -10.047
  460    HB3  PHE  65           1HB      PHE  65  -1.806   2.904  -9.764
  461    HD1  PHE  65           1HD      PHE  65   0.411   1.777  -9.633
  462    HD2  PHE  65           2HD      PHE  65  -3.164  -0.352 -10.701
  463    HE1  PHE  65           1HE      PHE  65   1.786  -0.080 -10.528
  464    HE2  PHE  65           2HE      PHE  65  -1.787  -2.211 -11.597
  465    HZ   PHE  65           HZ       PHE  65   0.688  -2.075 -11.511
  466    H    ASP  66           H        ASP  66  -4.384   3.201  -8.972
  467    HA   ASP  66           HA       ASP  66  -4.059   5.674  -7.799
  468    HB2  ASP  66           2HB      ASP  66  -5.790   5.166  -9.483
  469    HB3  ASP  66           1HB      ASP  66  -6.689   4.251  -8.274
  470    H    GLU  67           H        GLU  67  -6.024   3.014  -6.453
  471    HA   GLU  67           HA       GLU  67  -6.782   4.210  -4.074
  472    HB2  GLU  67           2HB      GLU  67  -6.010   1.326  -4.585
  473    HB3  GLU  67           1HB      GLU  67  -6.860   1.890  -3.148
  474    HG2  GLU  67           2HG      GLU  67  -8.691   2.749  -4.567
  475    HG3  GLU  67           1HG      GLU  67  -7.840   2.184  -6.003
  476    H    PHE  68           H        PHE  68  -3.723   2.605  -4.847
  477    HA   PHE  68           HA       PHE  68  -2.666   2.820  -2.199
  478    HB2  PHE  68           2HB      PHE  68  -1.819   1.156  -3.813
  479    HB3  PHE  68           1HB      PHE  68  -1.232   2.457  -4.848
  480    HD1  PHE  68           1HD      PHE  68  -0.870   0.897  -1.493
  481    HD2  PHE  68           2HD      PHE  68   0.833   3.560  -4.399
  482    HE1  PHE  68           1HE      PHE  68   1.228   0.990  -0.176
  483    HE2  PHE  68           2HE      PHE  68   2.932   3.654  -3.084
  484    HZ   PHE  68           HZ       PHE  68   3.130   2.370  -0.972
  485    H    LEU  69           H        LEU  69  -2.338   4.758  -5.140
  486    HA   LEU  69           HA       LEU  69  -0.447   6.603  -4.143
  487    HB2  LEU  69           2HB      LEU  69  -2.601   6.949  -6.242
  488    HB3  LEU  69           1HB      LEU  69  -1.265   8.066  -5.981
  489    HG   LEU  69           HG       LEU  69  -0.917   5.124  -6.634
  490   HD11  LEU  69          1HD1      LEU  69  -1.888   6.094  -8.575
  491   HD12  LEU  69          2HD1      LEU  69  -0.152   6.084  -8.884
  492   HD13  LEU  69          3HD1      LEU  69  -0.952   7.579  -8.397
  493   HD21  LEU  69          3HD2      LEU  69   1.097   5.787  -5.637
  494   HD22  LEU  69          1HD2      LEU  69   0.959   7.446  -6.215
  495   HD23  LEU  69          2HD2      LEU  69   1.418   6.158  -7.325
  496    H    SER  70           H        SER  70  -3.958   6.482  -3.988
  497    HA   SER  70           HA       SER  70  -4.382   9.080  -2.968
  498    HB2  SER  70           2HB      SER  70  -6.554   8.192  -2.187
  499    HB3  SER  70           1HB      SER  70  -6.216   7.734  -3.854
  500    HG   SER  70           HG       SER  70  -5.154   5.904  -2.251
  501    H    LEU  71           H        LEU  71  -3.816   5.965  -1.386
  502    HA   LEU  71           HA       LEU  71  -4.179   6.764   1.264
  503    HB2  LEU  71           2HB      LEU  71  -3.940   4.425   0.598
  504    HB3  LEU  71           1HB      LEU  71  -2.263   4.707   0.145
  505    HG   LEU  71           HG       LEU  71  -2.921   5.574   2.918
  506   HD11  LEU  71          1HD1      LEU  71  -3.047   2.642   2.158
  507   HD12  LEU  71          2HD1      LEU  71  -4.330   3.602   2.895
  508   HD13  LEU  71          3HD1      LEU  71  -2.865   3.240   3.807
  509   HD21  LEU  71          3HD2      LEU  71  -0.792   3.625   2.012
  510   HD22  LEU  71          1HD2      LEU  71  -0.765   4.712   3.401
  511   HD23  LEU  71          2HD2      LEU  71  -0.614   5.364   1.769
  512    H    MET  72           H        MET  72  -1.339   6.959  -0.827
  513    HA   MET  72           HA       MET  72   0.424   7.911   1.209
  514    HB2  MET  72           2HB      MET  72   0.589   8.094  -1.804
  515    HB3  MET  72           1HB      MET  72   1.896   8.511  -0.694
  516    HG2  MET  72           2HG      MET  72   0.552   5.797  -0.754
  517    HG3  MET  72           1HG      MET  72   2.043   6.167  -1.617
  518    HE1  MET  72           3HE      MET  72   4.227   5.965  -0.765
  519    HE2  MET  72           1HE      MET  72   4.760   6.418   0.861
  520    HE3  MET  72           2HE      MET  72   4.006   7.616  -0.190
  521    H    ALA  73           H        ALA  73  -1.554   9.455  -1.281
  522    HA   ALA  73           HA       ALA  73  -0.711  12.068  -1.148
  523    HB1  ALA  73           1HB      ALA  73  -2.920  12.719  -1.874
  524    HB2  ALA  73           2HB      ALA  73  -3.614  11.220  -1.256
  525    HB3  ALA  73           3HB      ALA  73  -2.519  11.181  -2.639
  526    H    LYS  74           H        LYS  74  -2.998  10.434   1.016
  527    HA   LYS  74           HA       LYS  74  -3.331  12.786   2.675
  528    HB2  LYS  74           2HB      LYS  74  -4.186   9.912   3.074
  529    HB3  LYS  74           1HB      LYS  74  -4.643  11.251   4.123
  530    HG2  LYS  74           2HG      LYS  74  -5.502  12.381   1.932
  531    HG3  LYS  74           1HG      LYS  74  -5.415  10.758   1.248
  532    HD2  LYS  74           2HD      LYS  74  -7.604  10.750   2.043
  533    HD3  LYS  74           1HD      LYS  74  -6.761  10.102   3.448
  534    HE2  LYS  74           2HE      LYS  74  -6.666  12.365   4.437
  535    HE3  LYS  74           1HE      LYS  74  -7.509  13.012   3.030
  536    HZ1  LYS  74           3HZ      LYS  74  -9.376  12.546   4.105
  537    HZ2  LYS  74           1HZ      LYS  74  -8.566  11.657   5.302
  538    HZ3  LYS  74           2HZ      LYS  74  -9.040  10.898   3.856
  539    H    LYS  75           H        LYS  75  -1.831   9.566   3.103
  540    HA   LYS  75           HA       LYS  75  -0.824   9.985   5.683
  541    HB2  LYS  75           2HB      LYS  75  -0.891   7.789   4.473
  542    HB3  LYS  75           1HB      LYS  75   0.466   8.342   3.494
  543    HG2  LYS  75           2HG      LYS  75   1.804   8.664   5.562
  544    HG3  LYS  75           1HG      LYS  75   0.456   8.033   6.508
  545    HD2  LYS  75           2HD      LYS  75   0.580   5.900   5.292
  546    HD3  LYS  75           1HD      LYS  75   1.907   6.527   4.313
  547    HE2  LYS  75           2HE      LYS  75   3.232   6.869   6.400
  548    HE3  LYS  75           1HE      LYS  75   1.926   6.120   7.317
  549    HZ1  LYS  75           3HZ      LYS  75   2.189   4.148   5.850
  550    HZ2  LYS  75           1HZ      LYS  75   3.530   4.456   6.840
  551    HZ3  LYS  75           2HZ      LYS  75   3.579   4.871   5.193
  552    H    VAL  76           H        VAL  76   0.907  10.304   2.574
  553    HA   VAL  76           HA       VAL  76   3.258  11.407   3.667
  554    HB   VAL  76           HB       VAL  76   2.119  11.816   0.892
  555   HG11  VAL  76          1HG1      VAL  76   4.582  12.041   0.344
  556   HG12  VAL  76          2HG1      VAL  76   4.890  12.115   2.080
  557   HG13  VAL  76          3HG1      VAL  76   3.917  13.363   1.302
  558   HG21  VAL  76          3HG2      VAL  76   3.977   9.684   2.001
  559   HG22  VAL  76          1HG2      VAL  76   3.534   9.869   0.304
  560   HG23  VAL  76          2HG2      VAL  76   2.309   9.428   1.493