*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   23-SEP-10   2L3U              
*TITLE     SOLUTION STRUCTURE OF DOMAIN IV FROM THE YBBR FAMILY PROTEIN OF       
*TITLE    2 DESULFITOBACTERIUM HAFNIENSE                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YBBR FAMILY PROTEIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 321-409;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE;                   
*SOURCE   3 ORGANISM_TAXID: 272564;                                              
*SOURCE   4 STRAIN: DCB-2 / DSM 10664;                                           
*SOURCE   5 GENE: DHAF_0833;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 21                                     
*KEYWDS    BETA STRAND, FIGURE EIGHT, FIGURE 8, STRUCTURAL GENOMICS, PSI-2,      
*KEYWDS   2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS          
*KEYWDS   3 CONSORTIUM, NESG, UNKNOWN FUNCTION                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.W.BARB, H.LEE, R.L.BELOTE, C.CICCOSANTI, K.HAMILTON, T.B.ACTON,     
*AUTHOR   2 R.XIAO, J.K.EVERETT, G.T.MONTELIONE, J.H.PRESTEGARD, NORTHEAST       
*AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   3   27-JUN-12 2L3U    1                                                
*REVDAT   2   28-MAR-12 2L3U    1                                                
*REVDAT   1   06-OCT-10 2L3U    0                                                


assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -73.0   14.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -13.0   24.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -120.0   38.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  131.0   34.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0 -118.0   26.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  126.0   18.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -93.0   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  126.0   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -59.0   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  -27.0   42.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -132.0   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  152.0   22.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -87.0   54.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  134.0   34.0 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   35.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  162.0   28.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0 -126.0   36.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  140.0   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 -137.0   22.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  145.0   28.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -101.0   32.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0 -131.0   32.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  163.0   22.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0 -144.0   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  150.0   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 -131.0   35.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  155.0   35.0 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -59.0   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  -42.0   18.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -69.0   24.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -39.0   28.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -68.0   16.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -34.0   20.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -67.0   16.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -32.0   32.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0 -100.0   28.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -10.0   40.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -81.0   36.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  131.0   38.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0 -107.0   58.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  169.0   35.0 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -58.0   12.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -36.0   16.0 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -66.0   14.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -24.0   26.0 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0 -102.0   40.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  119.0   34.0 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0 -111.0   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  140.0   26.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0 -114.0   44.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  159.0   26.0 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0 -126.0   22.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  143.0   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 -105.0   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  124.0   26.0 2
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -57.0   18.0 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  129.0   32.0 2
assign (resid   53 and name C    ) (resid   54 and name N    )
       (resid   54 and name CA   ) (resid   54 and name C    )    1.0   86.0   26.0 2
assign (resid   54 and name N    ) (resid   54 and name CA   )
       (resid   54 and name C    ) (resid   55 and name N    )    1.0   -5.0   40.0 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  151.0   28.0 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0  -68.0   32.0 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  140.0   20.0 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0 -118.0   36.0 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  133.0   22.0 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0 -122.0   18.0 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  133.0   22.0 2
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0  -93.0   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  132.0   22.0 2
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0 -143.0   12.0 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0  162.0   16.0 2
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0 -135.0   22.0 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  127.0   28.0 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0  -58.0   20.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  137.0   35.0 2
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0  -93.0   18.0 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  134.0   45.0 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0 -123.0   35.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  135.0   30.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -92.0   20.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  113.0   16.0 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -88.0   24.0 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  -39.0   22.0 2
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0 -161.0   18.0 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  154.0   22.0 2
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0 -138.0   28.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  138.0   12.0 2
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0 -112.0   24.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  125.0   18.0 2
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0 -141.0   28.0 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  152.0   38.0 2
assign (resid   82 and name C    ) (resid   83 and name N    )
       (resid   83 and name CA   ) (resid   83 and name C    )    1.0 -119.0   32.0 2
assign (resid   83 and name N    ) (resid   83 and name CA   )
       (resid   83 and name C    ) (resid   84 and name N    )    1.0  131.0   24.0 2
assign (resid   83 and name C    ) (resid   84 and name N    )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0 -114.0   24.0 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  138.0   35.0 2
assign (resid   84 and name C    ) (resid   85 and name N    )
       (resid   85 and name CA   ) (resid   85 and name C    )    1.0 -141.0   26.0 2
assign (resid   85 and name N    ) (resid   85 and name CA   )
       (resid   85 and name C    ) (resid   86 and name N    )    1.0  158.0   22.0 2
assign (resid   85 and name C    ) (resid   86 and name N    )
       (resid   86 and name CA   ) (resid   86 and name C    )    1.0  -77.0   24.0 2
assign (resid   86 and name N    ) (resid   86 and name CA   )
       (resid   86 and name C    ) (resid   87 and name N    )    1.0  139.0   14.0 2
assign (resid   88 and name C    ) (resid   89 and name N    )
       (resid   89 and name CA   ) (resid   89 and name C    )    1.0  -74.0   26.0 2
assign (resid   89 and name N    ) (resid   89 and name CA   )
       (resid   89 and name C    ) (resid   90 and name N    )    1.0  135.0   34.0 2


assign ( resid   65 and name    HN )        ( resid   49 and name    HN )         4.50  2.70  0.00 #new
assign ( resid   65 and name    HN )        ( resid   64 and name    HA )         2.50  0.70  0.00 #new
assign ( resid   65 and name    HN )        ( resid   64 and name  HG2# )         3.00  1.20  0.00 #new
assign ( resid   65 and name    HN )        ( resid   50 and name    HA )         4.00  2.20  0.00 #new
assign ( resid   51 and name    HA )        ( resid   52 and name    HN )         2.93  1.13  0.00 
assign ( resid   13 and name    HA )        ( resid   52 and name    HN )         5.72  3.92  0.00 
assign ( resid   14 and name    HA )        ( resid   52 and name    HN )         6.00  4.20  0.00 
assign ( resid   13 and name   HB1 )        ( resid   52 and name    HN )         4.53  2.73  0.00 
assign ( resid   13 and name   HB2 )        ( resid   52 and name    HN )         4.53  2.73  0.00 
assign ( resid   50 and name    HB )        ( resid   52 and name    HN )         6.00  4.20  0.00 
assign ( resid   52 and name    HN )        ( resid   52 and name   HB# )         3.07  1.27  0.00 
assign ( resid   11 and name  HD2# )        ( resid   52 and name    HN )         4.50  2.70  0.00 
assign ( resid   11 and name  HD1# )        ( resid   52 and name    HN )         4.50  2.70  0.00 
assign ( resid   49 and name   HE1 )        ( resid   51 and name    HA )         5.51  3.71  0.00 
assign ( resid   66 and name   HE1 )        ( resid   68 and name    HG )         4.97  3.17  0.00 
assign ( resid   66 and name   HE1 )        ( resid   68 and name  HD1# )         3.99  2.19  0.00 
assign ( resid   66 and name   HE1 )        ( resid   68 and name  HD2# )         3.99  2.19  0.00 
assign ( resid   11 and name    HN )        ( resid   12 and name    HN )         4.77  2.97  0.00 
assign ( resid   10 and name    HN )        ( resid   11 and name    HN )         4.93  3.13  0.00 #loosened 
assign ( resid   74 and name    HA )        ( resid   75 and name    HN )         3.26  1.46  0.00 
assign ( resid   10 and name    HA )        ( resid   11 and name    HN )         2.68  0.88  0.00 
assign ( resid   30 and name    HB )        ( resid   75 and name    HN )         5.00  3.20  0.00 
assign ( resid   10 and name    HB )        ( resid   11 and name    HN )         4.45  2.65  0.00 
assign ( resid   75 and name    HN )        ( resid   75 and name    HB )         3.69  1.89  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name   HB1 )         3.22  1.42  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name   HB2 )         3.22  1.42  0.00 
assign ( resid   10 and name  HG2# )        ( resid   11 and name    HN )         4.19  2.39  0.00 
assign ( resid   75 and name    HN )        ( resid   75 and name  HG1# )         4.00  2.20  0.00 
assign ( resid   75 and name    HN )        ( resid   75 and name  HG2# )         4.00  2.20  0.00 
assign ( resid   10 and name  HG1# )        ( resid   11 and name    HN )         4.19  2.39  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name  HD2# )         4.81  3.01  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name  HD1# )         4.81  3.01  0.00 
assign ( resid   31 and name  HD1# )        ( resid   75 and name    HN )         4.07  2.27  0.00 
assign ( resid   10 and name    HN )        ( resid   48 and name    HN )         5.43  3.63  0.00 
assign ( resid   72 and name    HN )        ( resid   73 and name    HN )         4.65  2.85  0.00 
assign ( resid   10 and name    HN )        ( resid   49 and name    HA )         3.48  1.68  0.00 
assign ( resid   12 and name    HN )        ( resid   51 and name    HA )         4.76  2.96  0.00 
assign ( resid   11 and name    HA )        ( resid   12 and name    HN )         2.90  1.10  0.00 
assign ( resid   72 and name    HA )        ( resid   73 and name    HN )         2.91  1.11  0.00 
assign ( resid    9 and name    HA )        ( resid   10 and name    HN )         3.12  1.32  0.00 
assign ( resid   73 and name    HN )        ( resid   73 and name   HB1 )         4.07  2.27  0.00 
assign ( resid   73 and name    HN )        ( resid   73 and name   HB2 )         4.07  2.27  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name    HB )         3.38  1.58  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB1 )         3.84  2.04  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB2 )         3.84  2.04  0.00 
assign ( resid    9 and name    HB )        ( resid   10 and name    HN )         4.51  2.71  0.00 
assign ( resid   11 and name    HG )        ( resid   12 and name    HN )         5.30  3.50  0.00 
assign ( resid   11 and name  HD2# )        ( resid   12 and name    HN )         3.74  1.94  0.00 
assign ( resid   11 and name  HD1# )        ( resid   12 and name    HN )         4.24  2.44  0.00 
assign ( resid   46 and name  HG2# )        ( resid   68 and name    HN )         5.62  3.82  0.00 
assign ( resid   72 and name  HG2# )        ( resid   73 and name    HN )         3.31  1.51  0.00 
assign ( resid   31 and name  HG2# )        ( resid   73 and name    HN )         3.83  2.03  0.00 
assign ( resid    9 and name  HD1# )        ( resid   10 and name    HN )         5.05  3.25  0.00 
assign ( resid    9 and name  HG2# )        ( resid   10 and name    HN )         3.42  1.62  0.00 
assign ( resid   12 and name    HN )        ( resid   50 and name  HD1# )         5.49  3.69  0.00 #loosened 
assign ( resid   67 and name    HA )        ( resid   68 and name    HN )         2.74  0.94  0.00 
assign ( resid   67 and name   HB1 )        ( resid   68 and name    HN )         5.48  3.68  0.00 
assign ( resid   67 and name   HB2 )        ( resid   68 and name    HN )         5.48  3.68  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name   HB2 )         4.06  2.26  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name  HD1# )         4.69  2.89  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name  HD2# )         4.69  2.89  0.00 
assign ( resid   21 and name    HN )        ( resid   85 and name    HN )         4.25  2.45  0.00 
assign ( resid   60 and name    HN )        ( resid   82 and name    HN )         3.47  1.67  0.00 
assign ( resid   60 and name    HN )        ( resid   61 and name    HN )         4.05  2.25  0.00 
assign ( resid   82 and name    HN )        ( resid   83 and name    HN )         4.06  2.26  0.00 
assign ( resid   81 and name    HN )        ( resid   82 and name    HN )         4.15  2.35  0.00 
assign ( resid   47 and name    HN )        ( resid   48 and name    HN )         4.17  2.37  0.00 
assign ( resid   76 and name    HN )        ( resid   77 and name    HN )         4.30  2.50  0.00 
assign ( resid   60 and name    HN )        ( resid   81 and name    HA )         4.38  2.58  0.00 
assign ( resid   81 and name    HA )        ( resid   82 and name    HN )         2.82  1.02  0.00 
assign ( resid   21 and name    HN )        ( resid   84 and name    HA )         4.29  2.49  0.00 
assign ( resid   82 and name    HN )        ( resid   83 and name    HA )         4.88  3.08  0.00 
assign ( resid   83 and name    HA )        ( resid   84 and name    HN )         2.99  1.19  0.00 
assign ( resid   59 and name    HA )        ( resid   60 and name    HN )         2.88  1.08  0.00 
assign ( resid   59 and name    HA )        ( resid   82 and name    HN )         4.13  2.33  0.00 
assign ( resid   58 and name   HA2 )        ( resid   84 and name    HN )         5.55  3.75  0.00 
assign ( resid   20 and name    HA )        ( resid   21 and name    HN )         2.93  1.13  0.00 
assign ( resid   76 and name    HA )        ( resid   77 and name    HN )         2.64  0.84  0.00 
assign ( resid   47 and name   HB1 )        ( resid   48 and name    HN )         4.72  2.92  0.00 
assign ( resid   81 and name    HB )        ( resid   82 and name    HN )         4.22  2.42  0.00 
assign ( resid   58 and name   HA1 )        ( resid   84 and name    HN )         4.64  2.84  0.00 
assign ( resid   47 and name   HB2 )        ( resid   48 and name    HN )         4.72  2.92  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name    HN )         4.57  2.77  0.00 
assign ( resid   84 and name    HN )        ( resid   84 and name   HB2 )         4.12  2.32  0.00 
assign ( resid   21 and name    HN )        ( resid   21 and name   HG1 )         3.74  1.94  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name    HB )         3.90  2.10  0.00 
assign ( resid   21 and name    HN )        ( resid   21 and name   HG2 )         3.74  1.94  0.00 
assign ( resid   20 and name    HG )        ( resid   21 and name    HN )         4.27  2.47  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HG1# )         4.47  2.67  0.00 
assign ( resid   81 and name  HG2# )        ( resid   82 and name    HN )         3.34  1.54  0.00 
assign ( resid   84 and name    HN )        ( resid   84 and name   HB1 )         3.92  2.12  0.00 
assign ( resid   60 and name    HN )        ( resid   81 and name  HG2# )         3.58  1.78  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HG2# )         3.02  1.22  0.00 
assign ( resid   47 and name    HA )        ( resid   48 and name    HN )         2.81  1.01  0.00 
assign ( resid   80 and name    HA )        ( resid   81 and name    HN )         2.70  0.90  0.00 
assign ( resid   88 and name    HA )        ( resid   89 and name    HN )         3.04  1.24  0.00 
assign ( resid   89 and name    HN )        ( resid   90 and name   HD1 )         4.86  3.06  0.00 
assign ( resid   87 and name    HA )        ( resid   89 and name    HN )         5.13  3.33  0.00 
assign ( resid   81 and name    HN )        ( resid   81 and name    HB )         3.71  1.91  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB1 )         3.68  1.88  0.00 
assign ( resid   87 and name   HE# )        ( resid   89 and name    HN )         4.64  2.84  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name   HB1 )         3.91  2.11  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB2 )         3.68  1.88  0.00 
assign ( resid   10 and name    HB )        ( resid   48 and name    HN )         5.75  3.95  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name   HB2 )         3.91  2.11  0.00 
assign ( resid   81 and name    HN )        ( resid   81 and name  HG2# )         4.00  2.20  0.00 
assign ( resid   80 and name  HG2# )        ( resid   81 and name    HN )         4.19  2.39  0.00 
assign ( resid   19 and name    HN )        ( resid   87 and name    HN )         4.00  2.20  0.00 
assign ( resid   20 and name    HN )        ( resid   21 and name    HN )         4.75  2.95  0.00 
assign ( resid   86 and name    HN )        ( resid   87 and name    HN )         4.61  2.81  0.00 
assign ( resid   18 and name    HA )        ( resid   87 and name    HN )         3.10  1.30  0.00 
assign ( resid   85 and name    HA )        ( resid   86 and name    HN )         2.65  0.85  0.00 
assign ( resid   19 and name    HA )        ( resid   20 and name    HN )         2.80  1.00  0.00 
assign ( resid   17 and name    HA )        ( resid   87 and name    HN )         4.42  2.62  0.00 
assign ( resid   86 and name    HA )        ( resid   87 and name    HN )         2.67  0.87  0.00 
assign ( resid   87 and name    HA )        ( resid   88 and name    HN )         2.58  0.78  0.00 
assign ( resid   87 and name   HE# )        ( resid   88 and name    HN )         4.66  2.86  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name   HB1 )         3.64  1.84  0.00 
assign ( resid   50 and name    HB )        ( resid   51 and name    HN )         3.53  1.73  0.00 
assign ( resid   86 and name    HN )        ( resid   86 and name   HB# )         2.80  1.00  0.00 
assign ( resid   70 and name    HN )        ( resid   70 and name   HB# )         2.60  0.80  0.00 #tighter 
assign ( resid   70 and name    HN )        ( resid   69 and name    HA )         2.50  0.70  0.00 #new 
assign ( resid   70 and name    HN )        ( resid   70 and name    HA )         3.00  1.20  0.00 #new 
assign ( resid   70 and name    HN )        ( resid   69 and name   HB# )         4.00  2.20  0.00 #new
assign ( resid   70 and name    HN )        ( resid   69 and name   HG# )         5.50  3.70  0.00 #new
assign ( resid   86 and name   HB# )        ( resid   87 and name    HN )         3.14  1.34  0.00 
assign ( resid   14 and name  HD2# )        ( resid   20 and name    HN )         4.55  2.75  0.00 
assign ( resid   19 and name  HG1# )        ( resid   87 and name    HN )         4.30  2.50  0.00 
assign ( resid   19 and name  HG2# )        ( resid   88 and name    HN )         4.06  2.26  0.00 
assign ( resid   19 and name  HG2# )        ( resid   87 and name    HN )         4.30  2.50  0.00 
assign ( resid   19 and name    HN )        ( resid   85 and name    HN )         3.48  1.68  0.00 
assign ( resid   85 and name    HN )        ( resid   86 and name    HN )         4.17  2.37  0.00 
assign ( resid   56 and name    HN )        ( resid   57 and name    HN )         4.97  3.17  0.00 #loosened 
assign ( resid   48 and name    HA )        ( resid   49 and name    HN )         3.37  1.57  0.00 
assign ( resid   84 and name    HA )        ( resid   85 and name    HN )         2.87  1.07  0.00 
assign ( resid   20 and name    HA )        ( resid   85 and name    HN )         3.97  2.17  0.00 
assign ( resid   50 and name    HA )        ( resid   51 and name    HN )         2.93  1.13  0.00 
assign ( resid   41 and name    HN )        ( resid   42 and name    HA )         5.38  3.58  0.00 
assign ( resid   55 and name    HA )        ( resid   56 and name    HN )         2.90  1.10  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name    HN )         3.94  2.14  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB1 )         3.72  1.92  0.00 
assign ( resid   40 and name   HB1 )        ( resid   41 and name    HN )         4.42  2.62  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB2 )         3.72  1.92  0.00 
assign ( resid   40 and name   HB2 )        ( resid   41 and name    HN )         4.42  2.62  0.00 
assign ( resid   84 and name   HB2 )        ( resid   85 and name    HN )         4.20  2.40  0.00 
assign ( resid   84 and name    HG )        ( resid   85 and name    HN )         4.47  2.67  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name   HB1 )         4.03  2.23  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name   HB2 )         4.03  2.23  0.00 
assign ( resid   55 and name   HB1 )        ( resid   56 and name    HN )         4.24  2.44  0.00 
assign ( resid   56 and name    HN )        ( resid   56 and name   HB# )         2.87  1.07  0.00 
assign ( resid   41 and name    HN )        ( resid   41 and name   HB1 )         3.20  1.40  0.00 
assign ( resid   41 and name    HN )        ( resid   41 and name   HB2 )         3.20  1.40  0.00 
assign ( resid   85 and name    HN )        ( resid   85 and name   HG1 )         4.12  2.32  0.00 
assign ( resid   55 and name   HG1 )        ( resid   56 and name    HN )         4.20  2.40  0.00 
assign ( resid   41 and name    HN )        ( resid   42 and name  HG2# )         5.32  3.52  0.00 
assign ( resid   49 and name    HN )        ( resid   64 and name  HG2# )         3.89  2.09  0.00 
assign ( resid   51 and name    HN )        ( resid   62 and name  HG2# )         6.00  4.20  0.00 
assign ( resid   51 and name    HN )        ( resid   64 and name  HG2# )         6.00  4.20  0.00 
assign ( resid   19 and name  HG1# )        ( resid   88 and name    HN )         4.06  2.26  0.00 
assign ( resid   55 and name   HB2 )        ( resid   56 and name    HN )         4.24  2.44  0.00 
assign ( resid   55 and name   HG2 )        ( resid   56 and name    HN )         5.20  3.40  0.00 #loosened
assign ( resid   41 and name    HN )        ( resid   41 and name  HD1# )         4.52  2.72  0.00 
assign ( resid   41 and name    HN )        ( resid   41 and name  HD2# )         4.52  2.72  0.00 
assign ( resid   50 and name  HD1# )        ( resid   51 and name    HN )         5.17  3.37  0.00 
assign ( resid   14 and name    HN )        ( resid   52 and name    HN )         5.10  3.30  0.00 
assign ( resid   13 and name    HN )        ( resid   14 and name    HN )         3.13  1.33  0.00 
assign ( resid   63 and name    HN )        ( resid   64 and name    HN )         4.46  2.66  0.00 
assign ( resid   12 and name    HA )        ( resid   14 and name    HN )         3.78  1.98  0.00 
assign ( resid   23 and name    HA )        ( resid   24 and name    HN )         2.73  0.93  0.00 
assign ( resid   13 and name    HA )        ( resid   14 and name    HN )         3.30  1.50  0.00 
assign ( resid   13 and name   HB1 )        ( resid   14 and name    HN )         4.59  2.79  0.00 
assign ( resid   13 and name   HB2 )        ( resid   14 and name    HN )         4.59  2.79  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HB1 )         4.15  2.35  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name   HB1 )         3.14  1.34  0.00 
assign ( resid   12 and name   HG1 )        ( resid   14 and name    HN )         5.22  3.42  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HB2 )         4.15  2.35  0.00 
assign ( resid   12 and name   HG2 )        ( resid   14 and name    HN )         5.22  3.42  0.00 
assign ( resid   14 and name    HN )        ( resid   52 and name   HB# )         4.26  2.46  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name   HB2 )         3.14  1.34  0.00 
assign ( resid   20 and name  HD2# )        ( resid   24 and name    HN )         4.37  2.57  0.00 
assign ( resid   64 and name    HN )        ( resid   64 and name  HG2# )         4.14  2.34  0.00 
assign ( resid   64 and name    HN )        ( resid   64 and name  HD1# )         3.77  1.97  0.00 
assign ( resid   64 and name    HN )        ( resid   64 and name  HG1# )         4.25  2.45  0.00 
assign ( resid   11 and name  HD2# )        ( resid   14 and name    HN )         6.20  4.40  0.00 
assign ( resid   11 and name  HD1# )        ( resid   14 and name    HN )         4.61  2.81  0.00 
assign ( resid   61 and name    HN )        ( resid   62 and name    HN )         4.81  3.01  0.00 
assign ( resid   54 and name    HN )        ( resid   55 and name    HN )         3.31  1.51  0.00 
assign ( resid   62 and name    HN )        ( resid   63 and name    HN )         4.42  2.62  0.00 
assign ( resid   91 and name    HN )        ( resid   92 and name    HN )         2.76  0.96  0.00 
assign ( resid   61 and name    HN )        ( resid   81 and name    HA )         4.93  3.13  0.00 
assign ( resid   61 and name    HA )        ( resid   62 and name    HN )         2.92  1.12  0.00 
assign ( resid   89 and name    HA )        ( resid   91 and name    HN )         4.63  2.83  0.00 
assign ( resid   47 and name    HN )        ( resid   68 and name    HA )         4.63  2.83  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name    HA )         5.60  3.80  0.00 
assign ( resid   60 and name    HA )        ( resid   61 and name    HN )         2.76  0.96  0.00 
assign ( resid   47 and name    HN )        ( resid   67 and name    HA )         5.70  3.90  0.00 
assign ( resid   46 and name    HA )        ( resid   47 and name    HN )         2.86  1.06  0.00 
assign ( resid   15 and name    HA )        ( resid   18 and name    HN )         5.39  3.59  0.00 
assign ( resid   17 and name    HA )        ( resid   18 and name    HN )         3.48  1.68  0.00 
assign ( resid   47 and name    HN )        ( resid   47 and name   HB1 )         3.42  1.62  0.00 
assign ( resid   16 and name    HA )        ( resid   18 and name    HN )         3.88  2.08  0.00 
assign ( resid   61 and name    HB )        ( resid   62 and name    HN )         4.34  2.54  0.00 
assign ( resid   61 and name    HN )        ( resid   61 and name    HB )         3.73  1.93  0.00 
assign ( resid   90 and name   HD1 )        ( resid   91 and name    HN )         3.19  1.39  0.00 
assign ( resid   47 and name    HN )        ( resid   47 and name   HB2 )         3.42  1.62  0.00 
assign ( resid   90 and name   HD1 )        ( resid   92 and name    HN )         5.43  3.63  0.00 #loosened 
assign ( resid   43 and name    HA )        ( resid   46 and name    HN )         3.77  1.97  0.00 
assign ( resid   17 and name   HB2 )        ( resid   18 and name    HN )         4.40  2.60  0.00 
assign ( resid   17 and name   HB1 )        ( resid   18 and name    HN )         4.40  2.60  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HE1 )         5.30  3.50  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HE2 )         5.30  3.50  0.00 
assign ( resid   62 and name    HN )        ( resid   79 and name   HB1 )         4.81  3.01  0.00 
assign ( resid   62 and name    HN )        ( resid   79 and name   HB2 )         4.81  3.01  0.00 
assign ( resid   60 and name   HB1 )        ( resid   61 and name    HN )         4.49  2.69  0.00 
assign ( resid   15 and name   HB2 )        ( resid   18 and name    HN )         5.47  3.67  0.00 
assign ( resid   90 and name   HD1 )        ( resid   91 and name    HN )         3.33  1.53  0.00 
assign ( resid   46 and name    HB )        ( resid   47 and name    HN )         4.12  2.32  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name    HB )         4.71  2.91  0.00 
assign ( resid   60 and name   HB2 )        ( resid   61 and name    HN )         4.49  2.69  0.00 
assign ( resid   91 and name    HN )        ( resid   91 and name    HG )         3.56  1.76  0.00 
assign ( resid   46 and name  HG1# )        ( resid   47 and name    HN )         5.42  3.62  0.00 
assign ( resid   91 and name   HB1 )        ( resid   92 and name    HN )         4.22  2.42  0.00 
assign ( resid   91 and name   HB2 )        ( resid   92 and name    HN )         4.22  2.42  0.00 
assign ( resid   61 and name    HN )        ( resid   81 and name  HG2# )         3.89  2.09  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name   HB2 )         3.90  2.10  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HD1 )         4.15  2.35  0.00 
assign ( resid   62 and name    HN )        ( resid   62 and name  HG2# )         2.99  1.19  0.00 
assign ( resid   62 and name    HN )        ( resid   64 and name  HD1# )         4.88  3.08  0.00 
assign ( resid   50 and name  HG2# )        ( resid   62 and name    HN )         5.70  3.90  0.00 
assign ( resid   91 and name    HN )        ( resid   91 and name  HD1# )         4.75  2.95  0.00 
assign ( resid   91 and name    HN )        ( resid   91 and name  HD2# )         4.75  2.95  0.00 
assign ( resid   46 and name  HG2# )        ( resid   47 and name    HN )         3.33  1.53  0.00 
assign ( resid   46 and name  HD1# )        ( resid   47 and name    HN )         4.23  2.43  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name  HD2# )         4.92  3.12  0.00 
assign ( resid   91 and name  HD2# )        ( resid   92 and name    HN )         4.75  2.95  0.00 
assign ( resid   59 and name    HN )        ( resid   60 and name    HN )         4.53  2.73  0.00 
assign ( resid   43 and name    HN )        ( resid   44 and name    HN )         3.40  1.60  0.00 
assign ( resid   30 and name    HN )        ( resid   31 and name    HN )         4.23  2.43  0.00 #loosened 
assign ( resid   44 and name    HN )        ( resid   46 and name    HN )         4.55  2.75  0.00 
assign ( resid   47 and name    HN )        ( resid   67 and name    HN )         3.79  1.99  0.00 
assign ( resid   16 and name    HN )        ( resid   18 and name    HN )         4.38  2.58  0.00 
assign ( resid   30 and name    HA )        ( resid   31 and name    HN )         3.16  1.36  0.00 
assign ( resid   59 and name    HN )        ( resid   83 and name    HA )         4.44  2.64  0.00 
assign ( resid   42 and name    HA )        ( resid   43 and name    HN )         2.71  0.91  0.00 
assign ( resid   42 and name    HB )        ( resid   43 and name    HN )         3.74  1.94  0.00 
assign ( resid   15 and name    HA )        ( resid   16 and name    HN )         2.48  0.68  0.00 
assign ( resid   47 and name   HB1 )        ( resid   67 and name    HN )         4.81  3.01  0.00 
assign ( resid   45 and name    HA )        ( resid   46 and name    HN )         3.51  1.71  0.00 
assign ( resid   58 and name   HA1 )        ( resid   59 and name    HN )         2.82  1.02  0.00 
assign ( resid   15 and name   HB2 )        ( resid   16 and name    HN )         3.93  2.13  0.00 
assign ( resid   46 and name    HN )        ( resid   46 and name    HB )         2.87  1.07  0.00 
assign ( resid   67 and name    HN )        ( resid   68 and name    HG )         5.11  3.31  0.00 
assign ( resid   31 and name    HN )        ( resid   75 and name    HB )         5.43  3.63  0.00 
assign ( resid   46 and name    HN )        ( resid   46 and name  HG1# )         3.14  1.34  0.00 
assign ( resid   42 and name  HG2# )        ( resid   43 and name    HN )         3.88  2.08  0.00 
assign ( resid   64 and name  HG2# )        ( resid   67 and name    HN )         5.81  4.01  0.00 
assign ( resid   48 and name  HD2# )        ( resid   67 and name    HN )         6.00  4.20  0.00 
assign ( resid   43 and name    HN )        ( resid   46 and name  HG1# )         5.56  3.76  0.00 
assign ( resid   43 and name    HN )        ( resid   46 and name  HD1# )         5.52  3.72  0.00 
assign ( resid   31 and name    HN )        ( resid   31 and name  HG1# )         4.03  2.23  0.00 
assign ( resid   46 and name    HN )        ( resid   46 and name  HD1# )         3.26  1.46  0.00 
assign ( resid   31 and name    HN )        ( resid   31 and name  HD1# )         3.96  2.16  0.00 
assign ( resid   71 and name    HN )        ( resid   72 and name    HN )         3.09  1.29  0.00 
assign ( resid   31 and name    HA )        ( resid   32 and name    HN )         3.24  1.44  0.00 
assign ( resid    8 and name    HA )        ( resid    9 and name    HN )         3.45  1.65  0.00 
assign ( resid   62 and name    HA )        ( resid   63 and name    HN )         2.90  1.10  0.00 
assign ( resid   33 and name    HA )        ( resid   34 and name    HN )         2.79  0.99  0.00 
assign ( resid   70 and name    HA )        ( resid   72 and name    HN )         6.03  4.23  0.00 #loosened 
assign ( resid   34 and name    HN )        ( resid   34 and name   HB2 )         3.66  1.86  0.00 
assign ( resid   34 and name    HN )        ( resid   34 and name   HB1 )         3.54  1.74  0.00 
assign ( resid   62 and name    HB )        ( resid   63 and name    HN )         2.87  1.07  0.00 
assign ( resid    9 and name    HN )        ( resid    9 and name    HB )         3.16  1.36  0.00 
assign ( resid   34 and name    HN )        ( resid   37 and name  HG1# )         4.38  2.58  0.00 
assign ( resid   34 and name    HN )        ( resid   38 and name    HG )         4.25  2.45  0.00 
assign ( resid   38 and name    HN )        ( resid   38 and name   HB1 )         3.78  1.98  0.00 
assign ( resid   38 and name    HN )        ( resid   38 and name    HG )         3.26  1.46  0.00 
assign ( resid   33 and name   HB# )        ( resid   34 and name    HN )         2.68  0.88  0.00 
assign ( resid   38 and name    HN )        ( resid   38 and name   HB2 )         3.74  1.94  0.00 
assign ( resid   37 and name  HG1# )        ( resid   38 and name    HN )         4.20  2.40  0.00 
assign ( resid    9 and name    HN )        ( resid    9 and name  HD1# )         3.70  1.90  0.00 
assign ( resid   31 and name  HG2# )        ( resid   32 and name    HN )         3.08  1.28  0.00 
assign ( resid   34 and name    HN )        ( resid   37 and name  HD1# )         3.68  1.88  0.00 
assign ( resid   34 and name    HN )        ( resid   38 and name  HD1# )         4.01  2.21  0.00 
assign ( resid   37 and name  HD1# )        ( resid   38 and name    HN )         4.51  2.71  0.00 
assign ( resid   38 and name    HN )        ( resid   38 and name  HD2# )         3.79  1.99  0.00 
assign ( resid   38 and name    HN )        ( resid   38 and name  HD1# )         3.76  1.96  0.00 
assign ( resid   63 and name    HN )        ( resid   64 and name  HD1# )         5.07  3.27  0.00 
assign ( resid   50 and name  HG2# )        ( resid   63 and name    HN )         5.50  3.70  0.00 
assign ( resid   37 and name  HD1# )        ( resid   72 and name    HN )         4.47  2.67  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HG2# )         3.72  1.92  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HD1# )         3.98  2.18  0.00 
assign ( resid   79 and name    HN )        ( resid   80 and name    HN )         4.40  2.60  0.00 #loosened 
assign ( resid   37 and name    HN )        ( resid   39 and name    HN )         4.34  2.54  0.00 
assign ( resid   34 and name    HN )        ( resid   37 and name    HN )         4.61  2.81  0.00 
assign ( resid   37 and name    HN )        ( resid   38 and name    HN )         2.95  1.15  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name    HN )         2.95  1.15  0.00 
assign ( resid   77 and name    HA )        ( resid   79 and name    HN )         4.30  0.55  0.00 
assign ( resid   78 and name    HA )        ( resid   79 and name    HN )         2.66  0.86  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name    HB )         3.43  1.63  0.00 
assign ( resid   37 and name    HN )        ( resid   38 and name    HA )         5.03  3.23  0.00 
assign ( resid   34 and name   HB2 )        ( resid   37 and name    HN )         4.26  2.46  0.00 
assign ( resid   34 and name   HB1 )        ( resid   37 and name    HN )         4.38  2.58  0.00 
assign ( resid   36 and name   HB1 )        ( resid   37 and name    HN )         3.80  2.00  0.00 
assign ( resid   29 and name    HB )        ( resid   30 and name    HN )         3.58  1.78  0.00 
assign ( resid   78 and name   HB2 )        ( resid   79 and name    HN )         2.59  0.79  0.00 #tightened 
assign ( resid   30 and name    HN )        ( resid   75 and name    HB )         4.58  2.78  0.00 
assign ( resid   61 and name  HG2# )        ( resid   79 and name    HN )         5.17  3.37  0.00 
assign ( resid   37 and name    HN )        ( resid   37 and name  HG1# )         3.62  1.82  0.00 
assign ( resid   29 and name  HG2# )        ( resid   30 and name    HN )         4.41  2.61  0.00 
assign ( resid   77 and name  HG2# )        ( resid   79 and name    HN )         6.06  3.26  0.00 #loosened 
assign ( resid   37 and name    HN )        ( resid   37 and name  HD1# )         3.84  2.04  0.00 
assign ( resid   37 and name    HN )        ( resid   37 and name  HG2# )         3.40  1.60  0.00 
assign ( resid   37 and name    HN )        ( resid   38 and name  HD1# )         4.89  3.09  0.00 
assign ( resid   30 and name    HN )        ( resid   31 and name  HD1# )         4.41  2.61  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name    HN )         3.52  1.72  0.00 
assign ( resid   26 and name    HN )        ( resid   27 and name    HN )         4.18  2.38  0.00 
assign ( resid   80 and name    HN )        ( resid   81 and name    HN )         4.17  2.37  0.00 
assign ( resid   42 and name    HN )        ( resid   45 and name    HN )         4.48  2.68  0.00 
assign ( resid   41 and name    HN )        ( resid   42 and name    HN )         4.49  2.69  0.00 
assign ( resid   61 and name    HA )        ( resid   80 and name    HN )         4.33  2.53  0.00 
assign ( resid   42 and name    HA )        ( resid   44 and name    HN )         4.44  2.64  0.00 
assign ( resid   41 and name    HA )        ( resid   42 and name    HN )         3.01  1.21  0.00 
assign ( resid   25 and name    HA )        ( resid   26 and name    HN )         3.20  1.40  0.00 
assign ( resid   42 and name    HN )        ( resid   45 and name    HA )         5.35  3.55  0.00 
assign ( resid   44 and name    HN )        ( resid   44 and name   HB2 )         3.81  2.01  0.00 
assign ( resid   79 and name   HB1 )        ( resid   80 and name    HN )         3.46  1.66  0.00 
assign ( resid   44 and name    HN )        ( resid   44 and name   HB1 )         3.81  2.01  0.00 
assign ( resid   79 and name   HB2 )        ( resid   80 and name    HN )         3.46  1.66  0.00 
assign ( resid   42 and name    HN )        ( resid   45 and name   HB1 )         4.60  2.80  0.00 
assign ( resid   42 and name    HN )        ( resid   45 and name   HB2 )         4.60  2.80  0.00 
assign ( resid   25 and name   HB2 )        ( resid   26 and name    HN )         4.09  2.29  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name    HB )         3.72  1.92  0.00 
assign ( resid   41 and name    HG )        ( resid   42 and name    HN )         5.25  3.45  0.00 
assign ( resid   42 and name  HG2# )        ( resid   44 and name    HN )         3.89  2.09  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name  HG1# )         4.09  2.29  0.00 
assign ( resid   42 and name    HN )        ( resid   46 and name  HD1# )         5.19  3.39  0.00 
assign ( resid   52 and name    HN )        ( resid   53 and name    HN )         3.49  1.69  0.00 
assign ( resid   44 and name    HN )        ( resid   45 and name    HN )         3.20  1.40  0.00 
assign ( resid   57 and name    HN )        ( resid   58 and name    HN )         4.24  2.44  0.00 
assign ( resid   53 and name    HN )        ( resid   55 and name    HN )         4.54  2.74  0.00 
assign ( resid   51 and name    HA )        ( resid   53 and name    HN )         4.23  2.43  0.00 
assign ( resid   56 and name    HA )        ( resid   57 and name    HN )         2.79  0.99  0.00 
assign ( resid   42 and name    HA )        ( resid   45 and name    HN )         4.88  3.08  0.00 
assign ( resid   45 and name    HN )        ( resid   46 and name    HA )         5.40  3.60  0.00 
assign ( resid   53 and name    HN )        ( resid   53 and name    HB )         3.50  1.70  0.00 
assign ( resid   43 and name    HA )        ( resid   45 and name    HN )         4.17  2.37  0.00 
assign ( resid   13 and name   HB1 )        ( resid   53 and name    HN )         4.49  2.69  0.00 
assign ( resid   13 and name   HB2 )        ( resid   53 and name    HN )         4.49  2.69  0.00 
assign ( resid   57 and name    HN )        ( resid   57 and name    HB )         2.84  1.04  0.00 
assign ( resid   57 and name    HN )        ( resid   84 and name    HG )         5.30  3.50  0.00 
assign ( resid   45 and name    HN )        ( resid   46 and name  HG1# )         4.03  2.23  0.00 
assign ( resid   53 and name    HN )        ( resid   53 and name  HG2# )         3.64  1.84  0.00 
assign ( resid   52 and name   HB# )        ( resid   53 and name    HN )         3.83  2.03  0.00 
assign ( resid   42 and name  HG2# )        ( resid   45 and name    HN )         4.44  2.64  0.00 
assign ( resid   45 and name    HN )        ( resid   46 and name  HD1# )         4.52  2.72  0.00 
assign ( resid   21 and name    HN )        ( resid   22 and name    HN )         2.94  1.14  0.00 
assign ( resid   53 and name    HN )        ( resid   54 and name    HN )         4.59  2.79  0.00 
assign ( resid   36 and name    HN )        ( resid   38 and name    HN )         4.11  2.31  0.00 
assign ( resid   38 and name    HN )        ( resid   39 and name    HN )         3.28  1.48  0.00 
assign ( resid   36 and name    HN )        ( resid   37 and name    HN )         3.10  1.30  0.00 
assign ( resid   39 and name    HN )        ( resid   40 and name    HN )         3.25  1.45  0.00 
assign ( resid   39 and name    HN )        ( resid   41 and name    HN )         3.97  2.17  0.00 
assign ( resid   40 and name    HN )        ( resid   41 and name    HN )         2.75  0.95  0.00 
assign ( resid   82 and name    HA )        ( resid   83 and name    HN )         2.81  1.01  0.00 
assign ( resid   12 and name    HA )        ( resid   13 and name    HN )         2.93  1.13  0.00 
assign ( resid   13 and name    HN )        ( resid   13 and name    HA )         2.81  1.01  0.00 
assign ( resid   35 and name    HA )        ( resid   39 and name    HN )         3.73  1.93  0.00 
assign ( resid   22 and name    HN )        ( resid   23 and name    HA )         5.08  3.28  0.00 
assign ( resid   53 and name    HA )        ( resid   54 and name    HN )         2.79  0.99  0.00 
assign ( resid   83 and name    HN )        ( resid   83 and name    HB )         3.18  1.38  0.00 
assign ( resid   38 and name    HA )        ( resid   40 and name    HN )         4.49  2.69  0.00 
assign ( resid   21 and name    HA )        ( resid   22 and name    HN )         3.51  1.71  0.00 
assign ( resid   22 and name    HN )        ( resid   23 and name   HD2 )         5.08  3.28  0.00 
assign ( resid   22 and name    HN )        ( resid   23 and name   HD1 )         5.08  3.28  0.00 
assign ( resid   34 and name   HB2 )        ( resid   36 and name    HN )         3.99  2.19  0.00 
assign ( resid   34 and name   HB1 )        ( resid   36 and name    HN )         4.16  2.36  0.00 
assign ( resid   13 and name    HN )        ( resid   13 and name   HB1 )         4.16  2.36  0.00 
assign ( resid   13 and name    HN )        ( resid   13 and name   HB2 )         4.16  2.36  0.00 
assign ( resid   40 and name    HN )        ( resid   40 and name   HB1 )         3.44  1.64  0.00 
assign ( resid   36 and name    HN )        ( resid   36 and name   HB1 )         3.64  1.84  0.00 
assign ( resid   40 and name    HN )        ( resid   40 and name   HB2 )         3.44  1.64  0.00 
assign ( resid   36 and name    HN )        ( resid   37 and name  HG1# )         4.51  2.71  0.00 
assign ( resid   12 and name   HB1 )        ( resid   13 and name    HN )         4.29  2.49  0.00 
assign ( resid   12 and name   HB2 )        ( resid   13 and name    HN )         4.29  2.49  0.00 
assign ( resid   38 and name   HB1 )        ( resid   39 and name    HN )         3.54  1.74  0.00 
assign ( resid   38 and name    HG )        ( resid   39 and name    HN )         4.84  3.04  0.00 
assign ( resid   13 and name    HN )        ( resid   52 and name   HB# )         5.20  3.40  0.00 
assign ( resid   38 and name   HB2 )        ( resid   39 and name    HN )         4.40  2.60  0.00 
assign ( resid   36 and name    HN )        ( resid   37 and name  HG2# )         4.61  2.81  0.00 
assign ( resid   38 and name  HD2# )        ( resid   39 and name    HN )         5.01  3.21  0.00 
assign ( resid   38 and name  HD1# )        ( resid   39 and name    HN )         4.93  3.13  0.00 
assign ( resid   20 and name  HD2# )        ( resid   22 and name    HN )         4.76  2.96  0.00 
assign ( resid   16 and name    HN )        ( resid   17 and name    HN )         3.13  1.33  0.00 
assign ( resid   17 and name    HN )        ( resid   18 and name    HN )         2.84  1.04  0.00 
assign ( resid   15 and name    HA )        ( resid   17 and name    HN )         4.11  2.31  0.00 
assign ( resid   26 and name    HA )        ( resid   27 and name    HN )         2.93  1.13  0.00 
assign ( resid   17 and name    HN )        ( resid   17 and name   HB1 )         3.50  1.70  0.00 
assign ( resid   17 and name    HN )        ( resid   17 and name   HB2 )         3.50  1.70  0.00 
assign ( resid   15 and name   HB2 )        ( resid   17 and name    HN )         3.99  2.19  0.00 
assign ( resid   26 and name   HB1 )        ( resid   27 and name    HN )         4.75  2.95  0.00 
assign ( resid   26 and name   HB2 )        ( resid   27 and name    HN )         4.75  2.95  0.00 
assign ( resid   27 and name    HN )        ( resid   27 and name  HG1# )         3.70  1.90  0.00 
assign ( resid   12 and name    HN )        ( resid   50 and name    HN )         4.41  2.61  0.00 
assign ( resid   58 and name    HN )        ( resid   84 and name    HN )         3.40  1.60  0.00 
assign ( resid   10 and name    HN )        ( resid   50 and name    HN )         5.06  3.26  0.00 #loosened 
assign ( resid   58 and name    HN )        ( resid   59 and name    HN )         4.33  2.53  0.00 #loosened 
assign ( resid   49 and name    HA )        ( resid   50 and name    HN )         3.24  1.44  0.00 
assign ( resid   58 and name    HN )        ( resid   83 and name    HA )         4.69  2.89  0.00 
assign ( resid   11 and name    HA )        ( resid   50 and name    HN )         4.15  2.35  0.00 
assign ( resid   57 and name    HA )        ( resid   58 and name    HN )         2.82  1.02  0.00 
assign ( resid   58 and name    HN )        ( resid   84 and name   HB2 )         3.63  1.83  0.00 
assign ( resid   57 and name    HB )        ( resid   58 and name    HN )         4.39  2.59  0.00 
assign ( resid   50 and name    HN )        ( resid   50 and name    HB )         3.93  2.13  0.00 
assign ( resid   58 and name    HN )        ( resid   84 and name   HB1 )         4.34  2.54  0.00 
assign ( resid   50 and name    HN )        ( resid   64 and name  HG2# )         4.63  2.83  0.00 
assign ( resid   50 and name    HN )        ( resid   50 and name  HG2# )         4.29  2.49  0.00 
assign ( resid   50 and name    HN )        ( resid   50 and name  HG1# )         4.53  2.73  0.00 
assign ( resid    9 and name  HG2# )        ( resid   50 and name    HN )         3.91  2.11  0.00 
assign ( resid   75 and name    HN )        ( resid   76 and name    HN )         3.10  1.30  0.00 
assign ( resid   30 and name    HN )        ( resid   76 and name    HN )         4.00  2.20  0.00  
assign ( resid   74 and name    HA )        ( resid   76 and name    HN )         4.67  2.87  0.00 
assign ( resid   30 and name    HB )        ( resid   76 and name    HN )         3.51  1.71  0.00 
assign ( resid   30 and name    HB )        ( resid   77 and name  HD1# )         5.50  3.70  0.00 #new
assign ( resid   75 and name    HB )        ( resid   76 and name    HN )         3.24  1.44  0.00 
assign ( resid   75 and name  HG1# )        ( resid   76 and name    HN )         3.94  2.14  0.00 
assign ( resid   75 and name  HG2# )        ( resid   76 and name    HN )         3.94  2.14  0.00 
assign ( resid   31 and name  HD1# )        ( resid   76 and name    HN )         4.55  2.75  0.00 
assign ( resid   19 and name    HN )        ( resid   20 and name    HN )         4.72  2.92  0.00 
assign ( resid   18 and name    HN )        ( resid   19 and name    HN )         4.58  2.78  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name    HN )         2.98  1.18  0.00 
assign ( resid   19 and name    HN )        ( resid   85 and name    HA )         5.06  3.26  0.00 
assign ( resid   19 and name    HN )        ( resid   20 and name    HA )         5.16  3.36  0.00 
assign ( resid   19 and name    HN )        ( resid   86 and name    HA )         3.77  1.97  0.00 
assign ( resid   19 and name    HN )        ( resid   19 and name    HB )         4.05  2.25  0.00 
assign ( resid   19 and name    HN )        ( resid   85 and name   HB1 )         5.23  3.43  0.00 
assign ( resid   19 and name    HN )        ( resid   85 and name   HB2 )         5.23  3.43  0.00 
assign ( resid   18 and name   HB2 )        ( resid   19 and name    HN )         3.72  1.92  0.00 
assign ( resid   19 and name    HN )        ( resid   19 and name  HG1# )         3.32  1.52  0.00 
assign ( resid   19 and name    HN )        ( resid   19 and name  HG2# )         3.32  1.52  0.00 
assign ( resid   70 and name    HN )        ( resid   71 and name    HN )         4.39  2.59  0.00 
assign ( resid   70 and name    HA )        ( resid   71 and name    HN )         2.50  0.70  0.00 #tighter
assign ( resid   70 and name   HB# )        ( resid   71 and name    HN )         3.24  1.44  0.00 
assign ( resid   22 and name    HN )        ( resid   83 and name    HN )         5.12  3.32  0.00 
assign ( resid   11 and name    HN )        ( resid   50 and name  HD1# )         6.06  4.26  0.00 #loosened
assign ( resid   50 and name  HD1# )        ( resid   62 and name    HN )         6.06  4.26  0.00 #loosened 
assign ( resid   10 and name    HN )        ( resid   49 and name    HN )         4.99  3.19  0.00 
assign ( resid   51 and name    HN )        ( resid   52 and name    HN )         4.22  2.42  0.00 
assign ( resid   42 and name    HB )        ( resid   44 and name    HN )         4.39  2.59  0.00 
assign ( resid   21 and name   HG2 )        ( resid   83 and name    HB )         3.99  2.19  0.00 
assign ( resid   30 and name    HB )        ( resid   75 and name  HG2# )         3.15  1.35  0.00 #tightened 
assign ( resid   30 and name    HB )        ( resid   75 and name    HB )         4.16  2.36  0.00 
assign ( resid   30 and name    HB )        ( resid   31 and name    HA )         5.00  3.20  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name    HB )         5.09  3.29  0.00 
assign ( resid   82 and name    HA )        ( resid   83 and name    HB )         5.22  3.42  0.00 
assign ( resid   53 and name    HB )        ( resid   54 and name    HN )         4.56  2.76  0.00 
assign ( resid   35 and name    HA )        ( resid   38 and name  HD2# )         4.99  3.19  0.00 
assign ( resid   35 and name    HA )        ( resid   38 and name   HB2 )         4.21  2.41  0.00 
assign ( resid   35 and name    HA )        ( resid   38 and name   HB1 )         4.18  2.38  0.00 
assign ( resid   35 and name    HA )        ( resid   38 and name    HN )         4.45  2.65  0.00 
assign ( resid   53 and name    HA )        ( resid   53 and name  HG2# )         3.49  1.69  0.00 
assign ( resid   53 and name    HA )        ( resid   55 and name    HN )         4.62  2.82  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name   HB2 )         3.91  2.11  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name   HB1 )         4.07  2.27  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name  HD1# )         4.75  2.95  0.00 
assign ( resid   47 and name   HB2 )        ( resid   67 and name    HN )         4.81  3.01  0.00 
assign ( resid   75 and name    HA )        ( resid   75 and name  HG2# )         3.35  1.55  0.00 
assign ( resid   20 and name  HD1# )        ( resid   23 and name    HA )         4.42  2.62  0.00 
assign ( resid   61 and name    HA )        ( resid   61 and name  HG2# )         3.62  1.82  0.00 
assign ( resid   61 and name    HA )        ( resid   81 and name    HA )         4.02  2.22  0.00 
assign ( resid   10 and name    HA )        ( resid   11 and name   HB2 )         5.12  3.32  0.00 
assign ( resid   37 and name    HA )        ( resid   37 and name  HG2# )         3.42  1.62  0.00 
assign ( resid   59 and name    HA )        ( resid   83 and name    HA )         4.13  2.33  0.00 
assign ( resid   81 and name    HA )        ( resid   81 and name  HG2# )         3.59  1.79  0.00 
assign ( resid   60 and name    HA )        ( resid   81 and name    HA )         5.17  3.37  0.00 
assign ( resid   80 and name    HA )        ( resid   81 and name    HA )         5.45  3.65  0.00 
assign ( resid    9 and name    HA )        ( resid   48 and name   HB1 )         4.38  2.58  0.00 
assign ( resid    9 and name    HA )        ( resid   48 and name   HB2 )         4.38  2.58  0.00 
assign ( resid   36 and name    HA )        ( resid   39 and name    HN )         4.42  2.62  0.00 
assign ( resid   16 and name    HA )        ( resid   17 and name    HN )         3.48  1.68  0.00 
assign ( resid   43 and name    HA )        ( resid   46 and name  HD1# )         3.83  2.03  0.00 
assign ( resid   42 and name    HA )        ( resid   43 and name    HA )         4.60  2.80  0.00 
assign ( resid   29 and name    HA )        ( resid   29 and name  HG2# )         4.03  2.23  0.00 
assign ( resid   62 and name    HA )        ( resid   62 and name  HG1# )         3.40  1.60  0.00 
assign ( resid   31 and name    HA )        ( resid   31 and name  HG2# )         3.37  1.57  0.00 
assign ( resid   10 and name    HB )        ( resid   49 and name    HA )         4.65  2.85  0.00 
assign ( resid   38 and name    HA )        ( resid   38 and name  HD2# )         3.96  2.16  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name  HD2# )         5.20  3.40  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name   HB2 )         4.46  2.66  0.00 
assign ( resid   41 and name    HA )        ( resid   41 and name    HG )         4.14  2.34  0.00 
assign ( resid   55 and name    HA )        ( resid   56 and name   HB# )         4.24  2.44  0.00 
assign ( resid   55 and name    HA )        ( resid   55 and name   HG2 )         4.23  2.43  0.00 
assign ( resid   11 and name  HD2# )        ( resid   14 and name    HA )         4.95  3.15  0.00 
assign ( resid   14 and name    HA )        ( resid   14 and name  HD2# )         4.10  2.30  0.00 
assign ( resid   18 and name    HA )        ( resid   84 and name  HD1# )         4.55  2.75  0.00 
assign ( resid   48 and name    HA )        ( resid   67 and name    HN )         4.96  3.16  0.00 
assign ( resid    9 and name  HG2# )        ( resid   48 and name    HA )         5.34  3.54  0.00 
assign ( resid   84 and name    HA )        ( resid   85 and name   HG1 )         5.24  3.44  0.00 
assign ( resid   20 and name    HA )        ( resid   84 and name    HA )         4.23  2.43  0.00 
assign ( resid   68 and name    HA )        ( resid   69 and name   HD1 )         3.80  2.00  0.00 
assign ( resid   79 and name    HA )        ( resid   80 and name    HB )         5.28  3.48  0.00 
assign ( resid   18 and name    HA )        ( resid   86 and name    HA )         3.83  2.03  0.00 
assign ( resid   41 and name  HD2# )        ( resid   69 and name   HD1 )         4.92  3.12  0.00 
assign ( resid   46 and name  HD1# )        ( resid   69 and name   HD1 )         5.29  3.49  0.00 
assign ( resid   22 and name    HA )        ( resid   23 and name   HD2 )         3.39  1.59  0.00 
assign ( resid   22 and name    HA )        ( resid   23 and name   HD1 )         3.39  1.59  0.00 
assign ( resid   68 and name    HA )        ( resid   69 and name   HD2 )         3.80  2.00  0.00 
assign ( resid   41 and name  HD2# )        ( resid   69 and name   HD2 )         4.92  3.12  0.00 
assign ( resid   46 and name  HD1# )        ( resid   69 and name   HD2 )         5.29  3.49  0.00 
assign ( resid   18 and name   HB1 )        ( resid   18 and name  HD1# )         3.92  2.12  0.00 
assign ( resid   18 and name   HB1 )        ( resid   84 and name  HD1# )         4.80  3.00  0.00 
assign ( resid   18 and name   HB1 )        ( resid   84 and name  HD2# )         4.80  3.00  0.00 
assign ( resid   18 and name   HB2 )        ( resid   84 and name  HD2# )         4.64  2.84  0.00 
assign ( resid   18 and name   HB1 )        ( resid   19 and name    HN )         4.63  2.83  0.00 
assign ( resid   70 and name   HB# )        ( resid   71 and name   HA1 )         4.83  3.03  0.00 
assign ( resid   70 and name   HB# )        ( resid   71 and name   HA2 )         4.83  3.03  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name   HB1 )         4.06  2.26  0.00 
assign ( resid    9 and name  HG2# )        ( resid   48 and name   HB1 )         4.47  2.67  0.00 
assign ( resid   57 and name  HG1# )        ( resid   84 and name   HB2 )         4.96  3.16  0.00 
assign ( resid    9 and name  HG2# )        ( resid   48 and name   HB2 )         4.47  2.67  0.00 
assign ( resid   84 and name   HB1 )        ( resid   85 and name    HN )         4.85  3.05  0.00 
assign ( resid   12 and name    HA )        ( resid   12 and name   HD2 )         5.27  3.47  0.00 
assign ( resid   12 and name    HA )        ( resid   12 and name   HD1 )         5.27  3.47  0.00 
assign ( resid   12 and name   HB1 )        ( resid   12 and name   HD1 )         4.17  2.37  0.00 
assign ( resid   12 and name   HB2 )        ( resid   12 and name   HD1 )         4.17  2.37  0.00 
assign ( resid   12 and name   HB2 )        ( resid   12 and name   HD2 )         4.17  2.37  0.00 
assign ( resid   12 and name   HB1 )        ( resid   12 and name   HD2 )         4.17  2.37  0.00 
assign ( resid   58 and name   HA2 )        ( resid   59 and name    HN )         3.39  1.59  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name   HB2 )         3.64  1.84  0.00 
assign ( resid   20 and name   HB1 )        ( resid   21 and name    HN )         4.59  2.79  0.00 
assign ( resid   20 and name   HB2 )        ( resid   21 and name    HN )         4.59  2.79  0.00 
assign ( resid   10 and name    HA )        ( resid   11 and name   HB1 )         5.12  3.32  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name   HB1 )         4.46  2.66  0.00 
assign ( resid   11 and name   HB1 )        ( resid   11 and name  HD2# )         4.17  2.37  0.00 
assign ( resid   14 and name   HB1 )        ( resid   14 and name  HD2# )         3.78  1.98  0.00 
assign ( resid   11 and name   HB2 )        ( resid   11 and name  HD2# )         4.17  2.37  0.00 
assign ( resid   14 and name   HB2 )        ( resid   14 and name  HD2# )         3.78  1.98  0.00 
assign ( resid   11 and name   HB2 )        ( resid   11 and name  HD1# )         4.17  2.37  0.00 
assign ( resid   38 and name   HB1 )        ( resid   38 and name  HD1# )         3.66  1.86  0.00 
assign ( resid   38 and name   HB1 )        ( resid   38 and name  HD2# )         3.55  1.75  0.00 
assign ( resid   31 and name    HB )        ( resid   32 and name    HN )         4.00  2.20  0.00 
assign ( resid   55 and name   HG2 )        ( resid   55 and name   HE2 )         3.97  2.17  0.00 
assign ( resid   55 and name   HG2 )        ( resid   55 and name   HE1 )         3.97  2.17  0.00 
assign ( resid   55 and name   HG1 )        ( resid   55 and name   HE2 )         3.97  2.17  0.00 
assign ( resid   55 and name   HG1 )        ( resid   55 and name   HE1 )         3.97  2.17  0.00 
assign ( resid   85 and name   HG1 )        ( resid   85 and name   HE# )         3.31  1.51  0.00 
assign ( resid   61 and name  HG2# )        ( resid   79 and name   HB1 )         4.29  2.49  0.00 
assign ( resid   61 and name  HG2# )        ( resid   79 and name   HB2 )         4.29  2.49  0.00 
assign ( resid    9 and name    HB )        ( resid    9 and name  HD1# )         3.67  1.87  0.00 
assign ( resid   64 and name    HN )        ( resid   64 and name    HB )         3.92  2.12  0.00 
assign ( resid   37 and name    HN )        ( resid   37 and name    HB )         3.77  1.97  0.00 
assign ( resid   37 and name    HB )        ( resid   38 and name    HN )         4.08  2.28  0.00 
assign ( resid   19 and name    HB )        ( resid   20 and name    HN )         3.31  1.51  0.00 
assign ( resid   80 and name    HB )        ( resid   81 and name    HN )         4.46  2.66  0.00 
assign ( resid   30 and name  HG2# )        ( resid   75 and name    HB )         4.18  2.38  0.00 
assign ( resid   35 and name   HB2 )        ( resid   36 and name    HN )         4.52  2.72  0.00 
assign ( resid   90 and name   HD1 )        ( resid   91 and name    HG )         4.30  2.50  0.00 
assign ( resid   21 and name   HG1 )        ( resid   83 and name    HB )         3.99  2.19  0.00 
assign ( resid   37 and name    HA )        ( resid   37 and name  HG1# )         4.00  2.20  0.00 
assign ( resid   55 and name    HA )        ( resid   55 and name   HG1 )         4.23  2.43  0.00 
assign ( resid   20 and name    HG )        ( resid   22 and name    HN )         4.64  2.84  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name    HG )         4.90  3.10  0.00 
assign ( resid   20 and name    HA )        ( resid   20 and name    HG )         4.03  2.23  0.00 
assign ( resid   90 and name    HA )        ( resid   91 and name    HG )         5.00  3.20  0.00 #loosened 
assign ( resid   37 and name  HG1# )        ( resid   38 and name  HD2# )         3.86  2.06  0.00 
assign ( resid   77 and name  HG2# )        ( resid   77 and name  HG1# )         3.35  1.55  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name  HD1# )         4.92  3.12  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HD2# )         4.58  2.78  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name  HD1# )         4.55  2.75  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name    HG )         4.76  2.96  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HG2 )         4.89  3.09  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HG1 )         4.89  3.09  0.00 
assign ( resid   41 and name  HD2# )        ( resid   42 and name    HN )         4.51  2.71  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name  HD2# )         4.40  2.60  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name    HG )         5.09  3.29  0.00 
assign ( resid   20 and name  HD1# )        ( resid   24 and name    HN )         4.37  2.57  0.00 
assign ( resid   20 and name  HD1# )        ( resid   22 and name    HN )         4.76  2.96  0.00 
assign ( resid   20 and name    HA )        ( resid   20 and name  HD1# )         4.02  2.22  0.00 
assign ( resid   20 and name  HD1# )        ( resid   24 and name    HA )         5.25  3.45  0.00 
assign ( resid   33 and name    HN )        ( resid   38 and name  HD2# )         5.26  3.46  0.00 
assign ( resid   52 and name    HA )        ( resid   55 and name   HD1 )         4.60  2.80  0.00 
assign ( resid   31 and name  HG1# )        ( resid   32 and name    HN )         5.02  3.22  0.00 
assign ( resid   85 and name   HG1 )        ( resid   86 and name    HN )         4.79  2.99  0.00 
assign ( resid   52 and name    HA )        ( resid   55 and name   HD2 )         4.60  2.80  0.00 
assign ( resid   48 and name  HD1# )        ( resid   67 and name    HN )         5.34  3.54  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name  HD1# )         4.58  2.78  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name  HD2# )         4.55  2.75  0.00 
assign ( resid   91 and name  HD1# )        ( resid   92 and name    HN )         4.75  2.95  0.00 
assign ( resid   41 and name  HD1# )        ( resid   42 and name    HN )         4.51  2.71  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HD2 )         4.15  2.35  0.00 
assign ( resid   11 and name  HD2# )        ( resid   51 and name    HA )         5.71  3.91  0.00 
assign ( resid   18 and name    HA )        ( resid   84 and name  HD2# )         4.55  2.75  0.00 
assign ( resid   20 and name    HA )        ( resid   20 and name  HD2# )         4.02  2.22  0.00 
assign ( resid   20 and name  HD2# )        ( resid   24 and name    HA )         5.25  3.45  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name  HD2# )         4.03  2.23  0.00 
assign ( resid   20 and name  HD2# )        ( resid   23 and name    HA )         4.42  2.62  0.00 
assign ( resid   91 and name    HA )        ( resid   91 and name  HD1# )         4.34  2.54  0.00 
assign ( resid   41 and name  HD1# )        ( resid   69 and name   HD1 )         4.92  3.12  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name  HD1# )         5.20  3.40  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name  HD2# )         4.75  2.95  0.00 
assign ( resid   41 and name  HD1# )        ( resid   69 and name   HD2 )         4.92  3.12  0.00 
assign ( resid   14 and name  HD1# )        ( resid   20 and name    HN )         4.55  2.75  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name  HD1# )         4.40  2.60  0.00 
assign ( resid   11 and name  HD1# )        ( resid   51 and name    HA )         5.71  3.91  0.00 
assign ( resid   18 and name    HA )        ( resid   18 and name  HD2# )         4.14  2.34  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name  HD1# )         4.03  2.23  0.00 
assign ( resid   33 and name    HA )        ( resid   38 and name  HD1# )         4.71  2.91  0.00 
assign ( resid   14 and name    HA )        ( resid   14 and name  HD1# )         4.10  2.30  0.00 
assign ( resid   11 and name  HD1# )        ( resid   14 and name    HA )         4.95  3.15  0.00 
assign ( resid   35 and name    HA )        ( resid   38 and name  HD1# )         4.57  2.77  0.00 
assign ( resid   38 and name    HA )        ( resid   38 and name  HD1# )         4.05  2.25  0.00 
assign ( resid   42 and name    HN )        ( resid   42 and name  HG2# )         3.80  2.00  0.00 
assign ( resid   42 and name  HG2# )        ( resid   46 and name    HN )         4.40  2.60  0.00 
assign ( resid   42 and name    HA )        ( resid   42 and name  HG2# )         3.29  1.49  0.00 
assign ( resid   41 and name    HA )        ( resid   42 and name  HG2# )         3.70  1.90  0.00 
assign ( resid   42 and name  HG2# )        ( resid   45 and name    HA )         5.68  3.88  0.00 
assign ( resid   42 and name  HG2# )        ( resid   44 and name    HA )         4.81  3.01  0.00 
assign ( resid   30 and name  HG2# )        ( resid   31 and name    HN )         4.27  2.47  0.00 
assign ( resid   30 and name    HN )        ( resid   30 and name  HG2# )         3.88  2.08  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name  HG2# )         4.20  2.40  0.00 
assign ( resid   30 and name  HG2# )        ( resid   76 and name    HN )         4.97  3.17  0.00 
assign ( resid   30 and name    HA )        ( resid   30 and name  HG2# )         3.57  1.77  0.00 
assign ( resid   30 and name  HG2# )        ( resid   31 and name    HA )         4.41  2.61  0.00 
assign ( resid   29 and name    HA )        ( resid   30 and name  HG2# )         5.56  3.76  0.00 
assign ( resid   10 and name    HA )        ( resid   10 and name  HG2# )         3.23  1.43  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name  HG1# )         3.51  1.71  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name  HG2# )         3.51  1.71  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name  HG2# )         5.13  3.33  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name  HG1# )         5.13  3.33  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name  HG2# )         4.09  2.29  0.00 
assign ( resid   19 and name  HG1# )        ( resid   20 and name    HN )         4.08  2.28  0.00 
assign ( resid   80 and name  HG1# )        ( resid   81 and name    HN )         4.19  2.39  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name  HG1# )         4.20  2.40  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name  HG1# )         4.35  2.55  0.00 
assign ( resid   80 and name    HA )        ( resid   80 and name  HG2# )         3.93  2.13  0.00 
assign ( resid   80 and name    HA )        ( resid   80 and name  HG1# )         3.93  2.13  0.00 
assign ( resid   91 and name    HA )        ( resid   91 and name  HD2# )         4.34  2.54  0.00 
assign ( resid   10 and name    HA )        ( resid   10 and name  HG1# )         3.23  1.43  0.00 
assign ( resid   19 and name  HG1# )        ( resid   87 and name    HA )         3.46  1.66  0.00 
assign ( resid   29 and name  HG1# )        ( resid   30 and name    HN )         4.41  2.61  0.00 
assign ( resid   29 and name    HA )        ( resid   29 and name  HG1# )         4.03  2.23  0.00 
assign ( resid   27 and name    HA )        ( resid   27 and name  HG1# )         3.70  1.90  0.00 
assign ( resid   75 and name  HG2# )        ( resid   76 and name    HA )         5.88  4.08  0.00 
assign ( resid   53 and name  HG2# )        ( resid   55 and name    HN )         5.43  3.63  0.00 
assign ( resid   62 and name  HG2# )        ( resid   63 and name    HN )         3.90  2.10  0.00 
assign ( resid   62 and name    HA )        ( resid   62 and name  HG2# )         3.31  1.51  0.00 
assign ( resid   52 and name    HA )        ( resid   53 and name  HG2# )         4.81  3.01  0.00 
assign ( resid   30 and name    HB )        ( resid   75 and name  HG1# )         3.15  1.35  0.00 #tightened 
assign ( resid   62 and name    HN )        ( resid   62 and name  HG1# )         3.52  1.72  0.00 
assign ( resid   62 and name  HG1# )        ( resid   63 and name    HN )         3.91  2.11  0.00 
assign ( resid   49 and name    HA )        ( resid   64 and name  HG2# )         4.51  2.71  0.00 
assign ( resid   50 and name    HA )        ( resid   64 and name  HG2# )         4.30  2.50  0.00 
assign ( resid    9 and name    HA )        ( resid   64 and name  HG2# )         5.33  3.53  0.00 
assign ( resid   48 and name    HA )        ( resid   64 and name  HG2# )         4.24  2.44  0.00 
assign ( resid   75 and name  HG1# )        ( resid   76 and name    HA )         5.88  4.08  0.00 
assign ( resid   64 and name    HA )        ( resid   64 and name  HG2# )         3.60  1.80  0.00 
assign ( resid    9 and name  HG2# )        ( resid   49 and name    HN )         4.68  2.88  0.00 
assign ( resid    9 and name    HN )        ( resid    9 and name  HG2# )         4.06  2.26  0.00 
assign ( resid   19 and name  HG2# )        ( resid   20 and name    HN )         4.08  2.28  0.00 
assign ( resid    9 and name  HG2# )        ( resid   11 and name    HN )         4.44  2.64  0.00 
assign ( resid    9 and name  HG2# )        ( resid   49 and name    HA )         3.75  1.95  0.00 
assign ( resid   18 and name    HA )        ( resid   19 and name  HG2# )         4.35  2.55  0.00 
assign ( resid   31 and name    HA )        ( resid   72 and name  HG2# )         5.13  3.33  0.00 
assign ( resid   72 and name    HA )        ( resid   72 and name  HG2# )         3.37  1.57  0.00 
assign ( resid    9 and name    HA )        ( resid    9 and name  HG2# )         3.56  1.76  0.00 
assign ( resid   19 and name  HG2# )        ( resid   87 and name    HA )         3.46  1.66  0.00 
assign ( resid   18 and name    HA )        ( resid   86 and name   HB# )         4.45  2.65  0.00 
assign ( resid   85 and name    HA )        ( resid   86 and name   HB# )         4.15  2.35  0.00 
assign ( resid   50 and name  HG2# )        ( resid   51 and name    HN )         3.83  2.03  0.00 
assign ( resid   50 and name    HA )        ( resid   50 and name  HG2# )         3.51  1.71  0.00 
assign ( resid   50 and name  HG2# )        ( resid   64 and name    HA )         4.00  2.20  0.00 
assign ( resid   27 and name    HN )        ( resid   27 and name  HG2# )         3.70  1.90  0.00 
assign ( resid   27 and name    HA )        ( resid   27 and name  HG2# )         3.70  1.90  0.00 
assign ( resid   31 and name  HG2# )        ( resid   74 and name    HA )         4.32  2.52  0.00 
assign ( resid   52 and name   HB# )        ( resid   55 and name    HN )         4.53  2.73  0.00 
assign ( resid   51 and name    HA )        ( resid   52 and name   HB# )         4.04  2.24  0.00 
assign ( resid   11 and name    HA )        ( resid   52 and name   HB# )         5.01  3.21  0.00 
assign ( resid   12 and name    HA )        ( resid   52 and name   HB# )         5.50  3.70  0.00 
assign ( resid   14 and name    HA )        ( resid   52 and name   HB# )         3.26  1.46  0.00 
assign ( resid   52 and name   HB# )        ( resid   53 and name    HA )         4.84  3.04  0.00 
assign ( resid   31 and name    HN )        ( resid   31 and name  HG2# )         4.20  2.40  0.00 
assign ( resid   46 and name  HG2# )        ( resid   48 and name    HN )         4.57  2.77  0.00 
assign ( resid   46 and name    HN )        ( resid   46 and name  HG2# )         4.00  2.20  0.00 
assign ( resid   46 and name  HG2# )        ( resid   68 and name    HA )         5.05  3.25  0.00 
assign ( resid   46 and name  HG2# )        ( resid   47 and name    HA )         4.44  2.64  0.00 
assign ( resid   46 and name    HA )        ( resid   46 and name  HG2# )         3.44  1.64  0.00 
assign ( resid   43 and name    HA )        ( resid   46 and name  HG2# )         4.81  3.01  0.00 
assign ( resid   64 and name  HD1# )        ( resid   80 and name    HN )         5.13  3.33  0.00 
assign ( resid   64 and name  HD1# )        ( resid   79 and name    HA )         5.21  3.41  0.00 
assign ( resid    9 and name    HA )        ( resid    9 and name  HD1# )         4.25  2.45  0.00 
assign ( resid   64 and name    HB )        ( resid   64 and name  HD1# )         3.35  1.55  0.00 
assign ( resid   77 and name    HA )        ( resid   77 and name  HD1# )         4.31  2.51  0.00 
assign ( resid   50 and name    HN )        ( resid   50 and name  HD1# )         4.19  2.39  0.00 
assign ( resid   11 and name    HA )        ( resid   50 and name  HD1# )         4.31  2.51  0.00 
assign ( resid   50 and name    HA )        ( resid   50 and name  HD1# )         4.78  2.98  0.00 
assign ( resid   50 and name  HD1# )        ( resid   80 and name    HB )         4.29  2.49  0.00 
assign ( resid   50 and name    HB )        ( resid   50 and name  HD1# )         3.41  1.61  0.00 
assign ( resid   77 and name    HN )        ( resid   77 and name  HD1# )         4.79  2.99  0.00 #loosened 
assign ( resid   46 and name  HD1# )        ( resid   68 and name    HA )         4.39  2.59  0.00 
assign ( resid   76 and name    HA )        ( resid   77 and name  HD1# )         5.83  4.03  0.00 #loosened 
assign ( resid   77 and name  HD1# )        ( resid   78 and name    HA )         5.05  3.25  0.00 
assign ( resid   46 and name    HA )        ( resid   46 and name  HD1# )         4.05  2.25  0.00 
assign ( resid   45 and name    HA )        ( resid   46 and name  HD1# )         5.26  3.46  0.00 
assign ( resid   77 and name    HB )        ( resid   77 and name  HD1# )         3.26  1.46  0.00 
assign ( resid   46 and name    HB )        ( resid   46 and name  HD1# )         3.32  1.52  0.00 
assign ( resid   31 and name  HD1# )        ( resid   32 and name    HN )         4.89  3.09  0.00 
assign ( resid   31 and name    HA )        ( resid   31 and name  HD1# )         4.51  2.71  0.00 
assign ( resid   31 and name    HB )        ( resid   31 and name  HD1# )         3.44  1.64  0.00 
assign ( resid   31 and name  HD1# )        ( resid   75 and name    HB )         4.30  2.50  0.00 
assign ( resid   33 and name   HB# )        ( resid   37 and name  HD1# )         3.36  1.56  0.00 
assign ( resid   33 and name   HB# )        ( resid   73 and name    HN )         3.36  1.56  0.00 #new 
assign ( resid   37 and name    HB )        ( resid   37 and name  HD1# )         3.77  1.97  0.00 
assign ( resid   36 and name   HB1 )        ( resid   37 and name  HD1# )         6.07  4.27  0.00 #loosened 
assign ( resid   34 and name   HB1 )        ( resid   37 and name  HD1# )         3.88  2.08  0.00 
assign ( resid   37 and name    HA )        ( resid   37 and name  HD1# )         4.18  2.38  0.00 
assign ( resid   50 and name  HD1# )        ( resid   64 and name  HD1# )         4.09  2.29  0.00 
assign ( resid   75 and name    HA )        ( resid   75 and name  HG1# )         3.35  1.55  0.00 
assign ( resid   50 and name  HD1# )        ( resid   62 and name  HG2# )         3.57  1.77  0.00 
assign ( resid   50 and name  HD1# )        ( resid   64 and name  HG2# )         3.88  2.08  0.00 
assign ( resid   50 and name  HG2# )        ( resid   50 and name  HD1# )         2.92  1.12  0.00 
assign ( resid   46 and name  HG2# )        ( resid   46 and name  HD1# )         2.92  1.12  0.00 
assign ( resid   46 and name  HG2# )        ( resid   48 and name    HG )         4.15  2.35  0.00 
assign ( resid   14 and name  HD2# )        ( resid   52 and name   HB# )         4.62  2.82  0.00 
assign ( resid   11 and name  HD2# )        ( resid   52 and name   HB# )         3.33  1.53  0.00 
assign ( resid   31 and name    HB )        ( resid   72 and name  HG2# )         4.19  2.39  0.00 #loosened
assign ( resid   56 and name   HB# )        ( resid   57 and name    HN )         3.01  1.21  0.00 
assign ( resid   18 and name   HB2 )        ( resid   18 and name  HD2# )         3.36  1.56  0.00 
assign ( resid   18 and name   HB1 )        ( resid   18 and name  HD2# )         3.92  2.12  0.00 
assign ( resid   33 and name   HB# )        ( resid   38 and name  HD1# )         3.28  1.48  0.00 
assign ( resid   38 and name   HB2 )        ( resid   38 and name  HD1# )         3.54  1.74  0.00 
assign ( resid   14 and name  HD1# )        ( resid   52 and name   HB# )         4.62  2.82  0.00 
assign ( resid   11 and name  HD1# )        ( resid   52 and name   HB# )         3.33  1.53  0.00 
assign ( resid   14 and name   HB1 )        ( resid   14 and name  HD1# )         3.78  1.98  0.00 
assign ( resid   14 and name   HB2 )        ( resid   14 and name  HD1# )         3.78  1.98  0.00 
assign ( resid   18 and name   HB2 )        ( resid   84 and name  HD1# )         4.64  2.84  0.00 
assign ( resid   18 and name   HB2 )        ( resid   18 and name  HD1# )         3.36  1.56  0.00 
assign ( resid   35 and name   HD1 )        ( resid   36 and name    HN )         4.52  2.72  0.00 
assign ( resid   18 and name    HA )        ( resid   18 and name  HD1# )         4.14  2.34  0.00 
assign ( resid   50 and name  HD1# )        ( resid   80 and name  HG1# )         3.90  2.10  0.00 
assign ( resid   50 and name  HD1# )        ( resid   80 and name  HG2# )         3.90  2.10  0.00 
assign ( resid   11 and name   HB1 )        ( resid   11 and name  HD1# )         4.17  2.37  0.00 
assign ( resid    8 and name   HB# )        ( resid    9 and name    HN )         4.07  2.27  0.00 
assign ( resid    9 and name    HN )        ( resid    9 and name  HG1# )         3.70  1.90  0.00 
assign ( resid    9 and name    HA )        ( resid   48 and name   HB# )         3.71  1.91  0.00 
assign ( resid    9 and name    HA )        ( resid   48 and name   HD# )         4.69  2.89  0.00 
assign ( resid    9 and name  HG2# )        ( resid    9 and name  HG1# )         3.10  1.30  0.00 
assign ( resid    9 and name  HG2# )        ( resid   48 and name   HB# )         3.92  2.12  0.00 
assign ( resid    9 and name  HG2# )        ( resid   50 and name  HG1# )         3.92  2.12  0.00 
assign ( resid    9 and name  HD1# )        ( resid   48 and name   HB# )         4.51  2.71  0.00 
assign ( resid   10 and name    HN )        ( resid   10 and name   HG# )         3.24  1.44  0.00 
assign ( resid   10 and name    HN )        ( resid   48 and name   HB# )         4.82  3.02  0.00 
assign ( resid   10 and name    HN )        ( resid   48 and name   HD# )         5.31  3.51  0.00 
assign ( resid   10 and name    HN )        ( resid   49 and name   HB# )         4.72  2.92  0.00 
assign ( resid   10 and name    HN )        ( resid   50 and name  HG1# )         5.18  3.38  0.00 
assign ( resid   10 and name    HA )        ( resid   11 and name   HB# )         4.34  2.54  0.00 
assign ( resid   10 and name    HA )        ( resid   24 and name   HD# )         4.36  2.56  0.00 
assign ( resid   10 and name    HB )        ( resid   49 and name   HB# )         4.58  2.78  0.00 
assign ( resid   10 and name   HG# )        ( resid   11 and name    HN )         3.04  1.24  0.00 
assign ( resid   10 and name   HG# )        ( resid   11 and name    HA )         4.68  2.88  0.00 
assign ( resid   10 and name   HG# )        ( resid   12 and name    HN )         4.98  3.18  0.00 
assign ( resid   10 and name   HG# )        ( resid   12 and name    HA )         5.13  3.33  0.00 
assign ( resid   10 and name   HG# )        ( resid   48 and name    HN )         4.37  2.57  0.00 
assign ( resid   10 and name   HG# )        ( resid   49 and name    HA )         4.94  3.14  0.00 
assign ( resid   10 and name   HG# )        ( resid   49 and name   HB# )         3.93  2.13  0.00 
assign ( resid   10 and name   HG# )        ( resid   50 and name    HN )         5.01  3.21  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name   HB# )         2.78  0.98  0.00 
assign ( resid   11 and name    HN )        ( resid   11 and name   HD# )         3.94  2.14  0.00 
assign ( resid   11 and name    HN )        ( resid   24 and name   HD# )         4.27  2.47  0.00 
assign ( resid   11 and name    HA )        ( resid   11 and name   HD# )         3.17  1.37  0.00 
assign ( resid   11 and name   HB# )        ( resid   24 and name   HD# )         3.48  1.68  0.00 
assign ( resid   11 and name   HD# )        ( resid   12 and name    HN )         3.16  1.36  0.00 
assign ( resid   11 and name   HD# )        ( resid   12 and name    HA )         4.23  2.43  0.00 
assign ( resid   11 and name   HD# )        ( resid   14 and name    HN )         3.37  1.57  0.00 
assign ( resid   11 and name   HD# )        ( resid   14 and name    HA )         3.92  2.12  0.00 
assign ( resid   11 and name   HD# )        ( resid   14 and name   HB# )         3.50  1.70  0.00 
assign ( resid   11 and name   HD# )        ( resid   50 and name    HN )         4.89  3.09  0.00 
assign ( resid   11 and name   HD# )        ( resid   50 and name    HB )         4.19  2.39  0.00 
assign ( resid   11 and name   HD# )        ( resid   50 and name  HD1# )         3.23  1.43  0.00 
assign ( resid   11 and name   HD# )        ( resid   51 and name    HA )         4.71  2.91  0.00 
assign ( resid   11 and name   HD# )        ( resid   52 and name    HN )         3.88  2.08  0.00 
assign ( resid   11 and name   HD# )        ( resid   52 and name    HA )         4.46  2.66  0.00 
assign ( resid   11 and name   HD# )        ( resid   52 and name   HB# )         2.84  1.04  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HB# )         3.26  1.46  0.00 
assign ( resid   12 and name    HN )        ( resid   12 and name   HD# )         5.34  3.54  0.00 
assign ( resid   12 and name    HN )        ( resid   50 and name  HG1# )         5.24  3.44  0.00 
assign ( resid   12 and name    HA )        ( resid   12 and name   HD# )         4.61  2.81  0.00 
assign ( resid   12 and name   HB# )        ( resid   12 and name   HD# )         3.26  1.46  0.00 
assign ( resid   12 and name   HB# )        ( resid   13 and name    HN )         3.64  1.84  0.00 
assign ( resid   12 and name   HB# )        ( resid   49 and name   HE1 )         5.36  3.56  0.00 
assign ( resid   12 and name   HB# )        ( resid   51 and name    HA )         5.34  3.54  0.00 
assign ( resid   12 and name   HB# )        ( resid   52 and name    HN )         5.58  3.78  0.00 
assign ( resid   12 and name   HG# )        ( resid   13 and name    HN )         3.66  1.86  0.00 
assign ( resid   12 and name   HG# )        ( resid   14 and name    HN )         4.36  2.56  0.00 
assign ( resid   12 and name   HG# )        ( resid   49 and name   HE1 )         4.81  3.01  0.00 
assign ( resid   12 and name   HG# )        ( resid   52 and name    HN )         5.26  3.46  0.00 
assign ( resid   12 and name   HD# )        ( resid   13 and name    HN )         4.51  2.71  0.00 
assign ( resid   12 and name   HD# )        ( resid   49 and name   HE1 )         4.22  2.42  0.00 
assign ( resid   13 and name    HN )        ( resid   13 and name   HB# )         3.65  1.85  0.00 
assign ( resid   13 and name   HB# )        ( resid   14 and name    HN )         3.97  2.17  0.00 
assign ( resid   13 and name   HB# )        ( resid   52 and name    HN )         3.82  2.02  0.00 
assign ( resid   13 and name   HB# )        ( resid   53 and name    HN )         3.68  1.88  0.00 
assign ( resid   13 and name   HB# )        ( resid   53 and name  HG2# )         4.63  2.83  0.00 
assign ( resid   14 and name    HN )        ( resid   14 and name   HB# )         2.64  0.84  0.00 
assign ( resid   14 and name    HN )        ( resid   15 and name   HD# )         4.77  2.97  0.00 
assign ( resid   14 and name    HA )        ( resid   14 and name   HD# )         3.19  1.39  0.00 
assign ( resid   14 and name    HA )        ( resid   15 and name   HD# )         3.49  1.69  0.00 
assign ( resid   14 and name   HB# )        ( resid   14 and name   HD# )         2.73  0.93  0.00 
assign ( resid   14 and name   HB# )        ( resid   15 and name   HD# )         4.29  2.49  0.00 
assign ( resid   14 and name   HD# )        ( resid   15 and name    HA )         4.31  2.51  0.00 
assign ( resid   14 and name   HD# )        ( resid   15 and name   HD# )         3.40  1.60  0.00 
assign ( resid   14 and name   HD# )        ( resid   16 and name    HN )         5.17  3.37  0.00 
assign ( resid   14 and name   HD# )        ( resid   16 and name    HA )         4.70  2.90  0.00 
assign ( resid   14 and name   HD# )        ( resid   17 and name    HN )         5.40  3.60  0.00 
assign ( resid   14 and name   HD# )        ( resid   18 and name    HN )         3.91  2.11  0.00 
assign ( resid   14 and name   HD# )        ( resid   18 and name    HA )         5.01  3.21  0.00 
assign ( resid   14 and name   HD# )        ( resid   18 and name   HB2 )         3.88  2.08  0.00 
assign ( resid   14 and name   HD# )        ( resid   19 and name    HN )         4.72  2.92  0.00 
assign ( resid   14 and name   HD# )        ( resid   19 and name    HA )         3.95  2.15  0.00 
assign ( resid   14 and name   HD# )        ( resid   20 and name    HN )         3.72  1.92  0.00 
assign ( resid   14 and name   HD# )        ( resid   52 and name   HB# )         3.86  2.06  0.00 
assign ( resid   15 and name    HA )        ( resid   16 and name   HG# )         4.26  2.46  0.00 
assign ( resid   15 and name   HG# )        ( resid   17 and name    HN )         5.00  3.20  0.00 #loosened
assign ( resid   15 and name   HG# )        ( resid   18 and name    HN )         5.00  3.20  0.00 
assign ( resid   15 and name   HG# )        ( resid   18 and name   HD# )         4.30  2.50  0.00 
assign ( resid   15 and name   HG# )        ( resid   54 and name    HN )         5.00  3.20  0.00 #loosened
assign ( resid   15 and name   HD# )        ( resid   52 and name   HB# )         3.66  1.86  0.00 
assign ( resid   16 and name    HN )        ( resid   16 and name   HB# )         2.99  1.19  0.00 
assign ( resid   16 and name    HN )        ( resid   16 and name   HG# )         2.58  0.78  0.00 
assign ( resid   16 and name    HA )        ( resid   16 and name   HG# )         3.49  1.69  0.00 
assign ( resid   16 and name   HG# )        ( resid   17 and name    HN )         3.19  1.39  0.00 
assign ( resid   16 and name   HG# )        ( resid   18 and name    HN )         5.81  4.01  0.00 
assign ( resid   17 and name    HN )        ( resid   17 and name   HB# )         2.96  1.16  0.00 
assign ( resid   17 and name    HN )        ( resid   18 and name   HD# )         5.92  4.12  0.00 
assign ( resid   17 and name    HN )        ( resid   87 and name   HB# )         5.60  3.80  0.00 
assign ( resid   17 and name   HB# )        ( resid   18 and name   HB1 )         5.54  3.74  0.00 #loosened 
assign ( resid   17 and name   HB# )        ( resid   87 and name    HN )         5.13  3.33  0.00 
assign ( resid   18 and name    HN )        ( resid   18 and name   HD# )         4.11  2.31  0.00 
assign ( resid   18 and name    HN )        ( resid   87 and name   HB# )         4.50  2.70  0.00 
assign ( resid   18 and name    HA )        ( resid   18 and name   HD# )         3.10  1.30  0.00 
assign ( resid   18 and name    HA )        ( resid   84 and name   HD# )         3.88  2.08  0.00 
assign ( resid   18 and name   HB1 )        ( resid   18 and name   HD# )         3.06  1.26  0.00 
assign ( resid   18 and name   HB1 )        ( resid   84 and name   HD# )         4.07  2.27  0.00 
assign ( resid   18 and name   HB2 )        ( resid   18 and name   HD# )         2.67  0.87  0.00 
assign ( resid   18 and name   HB2 )        ( resid   84 and name   HD# )         3.41  1.61  0.00 
assign ( resid   18 and name   HD# )        ( resid   19 and name    HN )         3.77  1.97  0.00 
assign ( resid   18 and name   HD# )        ( resid   56 and name    HA )         3.32  1.52  0.00 
assign ( resid   18 and name   HD# )        ( resid   57 and name    HN )         3.84  2.04  0.00 
assign ( resid   18 and name   HD# )        ( resid   57 and name    HA )         4.99  3.19  0.00 
assign ( resid   18 and name   HD# )        ( resid   57 and name   HG# )         3.15  1.35  0.00 
assign ( resid   18 and name   HD# )        ( resid   84 and name    HA )         5.83  4.03  0.00 
assign ( resid   18 and name   HD# )        ( resid   84 and name   HB1 )         5.16  3.36  0.00 
assign ( resid   18 and name   HD# )        ( resid   84 and name   HB2 )         4.57  2.77  0.00 
assign ( resid   18 and name   HD# )        ( resid   84 and name    HG )         3.39  1.59  0.00 
assign ( resid   18 and name   HD# )        ( resid   85 and name    HN )         4.26  2.46  0.00 
assign ( resid   18 and name   HD# )        ( resid   86 and name    HN )         3.88  2.08  0.00 
assign ( resid   18 and name   HD# )        ( resid   86 and name    HA )         3.11  1.31  0.00 
assign ( resid   18 and name   HD# )        ( resid   86 and name   HB# )         3.47  1.67  0.00 
assign ( resid   18 and name   HD# )        ( resid   87 and name    HN )         3.70  1.90  0.00 
assign ( resid   19 and name    HN )        ( resid   19 and name   HG# )         2.73  0.93  0.00 
assign ( resid   19 and name    HN )        ( resid   85 and name   HB# )         4.55  2.75  0.00 
assign ( resid   19 and name    HA )        ( resid   84 and name   HD# )         4.35  2.55  0.00 
assign ( resid   19 and name   HG# )        ( resid   85 and name    HN )         4.14  2.34  0.00 
assign ( resid   19 and name   HG# )        ( resid   85 and name   HB# )         3.81  2.01  0.00 
assign ( resid   19 and name   HG# )        ( resid   86 and name    HA )         5.04  3.24  0.00 
assign ( resid   19 and name   HG# )        ( resid   87 and name    HN )         3.66  1.86  0.00 
assign ( resid   19 and name   HG# )        ( resid   87 and name   HB# )         3.43  1.63  0.00 
assign ( resid   19 and name   HG# )        ( resid   87 and name   HD# )         3.58  1.78  0.00 
assign ( resid   19 and name   HG# )        ( resid   88 and name    HN )         3.34  1.54  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name   HB# )         3.03  1.23  0.00 
assign ( resid   20 and name    HN )        ( resid   20 and name   HD# )         3.90  2.10  0.00 
assign ( resid   20 and name    HN )        ( resid   84 and name   HD# )         4.13  2.33  0.00 
assign ( resid   20 and name    HA )        ( resid   20 and name   HD# )         2.95  1.15  0.00 
assign ( resid   20 and name    HA )        ( resid   84 and name   HD# )         3.53  1.73  0.00 
assign ( resid   20 and name   HB# )        ( resid   20 and name   HD# )         2.72  0.92  0.00 
assign ( resid   20 and name   HB# )        ( resid   22 and name    HN )         3.90  2.10  0.00 
assign ( resid   20 and name   HB# )        ( resid   84 and name    HA )         5.67  3.87  0.00 
assign ( resid   20 and name    HG )        ( resid   82 and name   HB# )         4.48  2.68  0.00 
assign ( resid   20 and name   HD# )        ( resid   21 and name    HN )         3.12  1.32  0.00 
assign ( resid   20 and name   HD# )        ( resid   21 and name    HA )         5.38  3.58  0.00 
assign ( resid   20 and name   HD# )        ( resid   21 and name   HG# )         4.12  2.32  0.00 
assign ( resid   20 and name   HD# )        ( resid   22 and name    HN )         3.35  1.55  0.00 
assign ( resid   20 and name   HD# )        ( resid   23 and name    HA )         3.63  1.83  0.00 
assign ( resid   20 and name   HD# )        ( resid   24 and name    HN )         3.55  1.75  0.00 
assign ( resid   20 and name   HD# )        ( resid   24 and name    HA )         4.59  2.79  0.00 
assign ( resid   20 and name   HD# )        ( resid   82 and name    HA )         4.28  2.48  0.00 
assign ( resid   20 and name   HD# )        ( resid   82 and name   HB# )         3.46  1.66  0.00 
assign ( resid   20 and name   HD# )        ( resid   83 and name    HN )         3.74  1.94  0.00 
assign ( resid   20 and name   HD# )        ( resid   83 and name    HB )         5.67  3.87  0.00 
assign ( resid   20 and name   HD# )        ( resid   84 and name    HA )         4.23  2.43  0.00 
assign ( resid   20 and name   HD# )        ( resid   84 and name   HB1 )         5.76  3.96  0.00 
assign ( resid   21 and name    HN )        ( resid   21 and name   HB# )         3.60  1.80  0.00 
assign ( resid   21 and name    HN )        ( resid   21 and name   HG# )         3.06  1.26  0.00 
assign ( resid   21 and name    HN )        ( resid   84 and name   HD# )         4.61  2.81  0.00 
assign ( resid   21 and name    HA )        ( resid   21 and name   HG# )         3.65  1.85  0.00 
assign ( resid   21 and name   HB# )        ( resid   22 and name    HN )         4.04  2.24  0.00 
assign ( resid   21 and name   HG# )        ( resid   22 and name    HN )         3.08  1.28  0.00 
assign ( resid   21 and name   HG# )        ( resid   83 and name    HN )         4.11  2.31  0.00 
assign ( resid   22 and name    HN )        ( resid   22 and name   HB# )         3.01  1.21  0.00 
assign ( resid   22 and name   HB# )        ( resid   23 and name   HD# )         4.55  2.75  0.00 
assign ( resid   23 and name    HA )        ( resid   24 and name   HB# )         4.94  3.14  0.00 
assign ( resid   23 and name   HB# )        ( resid   24 and name    HN )         3.95  2.15  0.00 
assign ( resid   23 and name   HG# )        ( resid   24 and name    HN )         4.86  3.06  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HB# )         3.40  1.60  0.00 
assign ( resid   24 and name    HN )        ( resid   24 and name   HD# )         4.03  2.23  0.00 
assign ( resid   24 and name    HA )        ( resid   24 and name   HD# )         3.64  1.84  0.00 
assign ( resid   24 and name   HD# )        ( resid   50 and name  HD1# )         3.67  1.87  0.00 
assign ( resid   24 and name   HD# )        ( resid   82 and name   HB# )         4.58  2.78  0.00 
assign ( resid   25 and name   HB# )        ( resid   26 and name    HN )         3.58  1.78  0.00 
assign ( resid   26 and name    HN )        ( resid   27 and name   HG# )         4.99  3.19  0.00 
assign ( resid   26 and name   HB# )        ( resid   27 and name    HN )         3.98  2.18  0.00 
assign ( resid   27 and name    HN )        ( resid   27 and name   HG# )         3.24  1.44  0.00 
assign ( resid   27 and name    HA )        ( resid   27 and name   HG# )         3.03  1.23  0.00 
assign ( resid   27 and name   HG# )        ( resid   78 and name    HA )         4.60  2.80  0.00 
assign ( resid   27 and name   HG# )        ( resid   78 and name   HG# )         2.36  0.56  0.00 #tightened 
assign ( resid   27 and name   HG# )        ( resid   78 and name   HD# )         3.50  1.70  0.00 #tightened
assign ( resid   27 and name   HG# )        ( resid   79 and name    HN )         4.50  2.70  0.00  
assign ( resid   29 and name   HG# )        ( resid   30 and name    HN )         3.69  1.89  0.00 
assign ( resid   29 and name   HG# )        ( resid   30 and name    HB )         5.68  3.88  0.00 
assign ( resid   29 and name   HG# )        ( resid   31 and name    HN )         4.08  2.28  0.00 
assign ( resid   29 and name   HG# )        ( resid   31 and name    HA )         5.26  3.46  0.00 
assign ( resid   30 and name    HN )        ( resid   75 and name   HG# )         4.70  2.90  0.00 
assign ( resid   30 and name    HA )        ( resid   31 and name  HG1# )         4.97  3.17  0.00 
assign ( resid   30 and name    HB )        ( resid   31 and name  HG1# )         5.23  3.43  0.00 
assign ( resid   30 and name    HB )        ( resid   75 and name   HG# )         3.56  1.76  0.00 
assign ( resid   31 and name    HN )        ( resid   75 and name   HG# )         4.69  2.89  0.00 
assign ( resid   31 and name    HA )        ( resid   75 and name   HG# )         4.09  2.29  0.00 
assign ( resid   31 and name  HG2# )        ( resid   31 and name  HG1# )         3.29  1.49  0.00 
assign ( resid   31 and name  HG2# )        ( resid   72 and name  HG1# )         3.78  1.98  0.00 
assign ( resid   31 and name  HG1# )        ( resid   73 and name    HN )         6.00  4.20  0.00 
assign ( resid   31 and name  HG1# )        ( resid   75 and name    HN )         4.50  2.70  0.00 
assign ( resid   31 and name  HD1# )        ( resid   74 and name   HB# )         4.13  2.33  0.00 
assign ( resid   34 and name    HN )        ( resid   36 and name   HG# )         4.97  3.17  0.00 #loosened 
assign ( resid   35 and name   HB# )        ( resid   36 and name    HN )         3.83  2.03  0.00 
assign ( resid   35 and name   HB# )        ( resid   39 and name    HN )         4.87  3.07  0.00 
assign ( resid   36 and name    HN )        ( resid   36 and name   HG# )         2.84  1.04  0.00 
assign ( resid   36 and name    HA )        ( resid   39 and name   HB# )         3.91  2.11  0.00 
assign ( resid   36 and name   HG# )        ( resid   37 and name    HN )         2.81  1.01  0.00 
assign ( resid   36 and name   HG# )        ( resid   37 and name  HD1# )         3.76  1.96  0.00 
assign ( resid   36 and name   HG# )        ( resid   38 and name    HN )         4.08  2.28  0.00 
assign ( resid   37 and name  HD1# )        ( resid   71 and name   HA# )         4.02  2.22  0.00 
assign ( resid   38 and name    HN )        ( resid   39 and name   HB# )         4.88  3.08  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name   HB# )         3.86  2.06  0.00 
assign ( resid   38 and name    HA )        ( resid   41 and name   HD# )         4.43  2.63  0.00 
assign ( resid   39 and name    HN )        ( resid   39 and name   HB# )         2.82  1.02  0.00 
assign ( resid   39 and name   HB# )        ( resid   40 and name    HN )         3.28  1.48  0.00 
assign ( resid   39 and name   HB# )        ( resid   41 and name    HN )         4.91  3.11  0.00 
assign ( resid   40 and name    HN )        ( resid   40 and name   HB# )         2.87  1.07  0.00 
assign ( resid   40 and name    HN )        ( resid   41 and name   HB# )         4.44  2.64  0.00 
assign ( resid   40 and name   HB# )        ( resid   41 and name    HN )         3.83  2.03  0.00 
assign ( resid   41 and name    HN )        ( resid   41 and name   HB# )         2.72  0.92  0.00 
assign ( resid   41 and name    HA )        ( resid   41 and name   HD# )         3.20  1.40  0.00 
assign ( resid   41 and name   HB# )        ( resid   41 and name   HD# )         2.81  1.01  0.00 
assign ( resid   41 and name   HB# )        ( resid   42 and name    HN )         4.14  2.34  0.00 
assign ( resid   41 and name    HG )        ( resid   69 and name   HD# )         5.17  3.37  0.00 
assign ( resid   41 and name   HD# )        ( resid   42 and name    HN )         3.41  1.61  0.00 
assign ( resid   41 and name   HD# )        ( resid   42 and name    HA )         4.04  2.24  0.00 
assign ( resid   41 and name   HD# )        ( resid   43 and name    HN )         4.92  3.12  0.00 
assign ( resid   41 and name   HD# )        ( resid   43 and name    HA )         4.66  2.86  0.00 
assign ( resid   41 and name   HD# )        ( resid   44 and name    HN )         5.45  3.65  0.00 
assign ( resid   41 and name   HD# )        ( resid   45 and name    HN )         3.86  2.06  0.00 
assign ( resid   41 and name   HD# )        ( resid   45 and name    HA )         4.99  3.19  0.00 
assign ( resid   41 and name   HD# )        ( resid   46 and name    HN )         4.18  2.38  0.00 
assign ( resid   41 and name   HD# )        ( resid   46 and name  HD1# )         2.34  0.54  0.00 
assign ( resid   41 and name   HD# )        ( resid   47 and name    HN )         5.83  4.03  0.00 
assign ( resid   41 and name   HD# )        ( resid   68 and name    HA )         4.87  3.07  0.00 
assign ( resid   41 and name   HD# )        ( resid   69 and name   HB# )         4.70  2.90  0.00 #loosened
assign ( resid   41 and name   HD# )        ( resid   69 and name   HG# )         4.45  2.65  0.00 
assign ( resid   41 and name   HD# )        ( resid   69 and name   HD# )         3.47  1.67  0.00 
assign ( resid   43 and name    HN )        ( resid   43 and name   HD# )         3.25  1.45  0.00 
assign ( resid   43 and name    HN )        ( resid   44 and name   HG# )         4.74  2.94  0.00 
assign ( resid   43 and name    HA )        ( resid   43 and name   HD# )         4.12  2.32  0.00 
assign ( resid   43 and name   HD# )        ( resid   44 and name    HN )         4.68  2.88  0.00 
assign ( resid   44 and name    HN )        ( resid   44 and name   HB# )         3.31  1.51  0.00 
assign ( resid   44 and name    HN )        ( resid   44 and name   HG# )         3.05  1.25  0.00 
assign ( resid   44 and name    HA )        ( resid   44 and name   HG# )         3.55  1.75  0.00 
assign ( resid   44 and name   HG# )        ( resid   45 and name    HN )         4.12  2.32  0.00 
assign ( resid   45 and name    HN )        ( resid   45 and name   HB# )         3.01  1.21  0.00 
assign ( resid   45 and name   HB# )        ( resid   46 and name    HN )         3.81  2.01  0.00 
assign ( resid   46 and name  HG2# )        ( resid   47 and name   HB# )         4.48  2.68  0.00 
assign ( resid   46 and name  HD1# )        ( resid   68 and name   HB# )         3.99  2.19  0.00 
assign ( resid   46 and name  HD1# )        ( resid   69 and name   HD# )         4.46  2.66  0.00 
assign ( resid   47 and name    HN )        ( resid   48 and name   HD# )         4.47  2.67  0.00 
assign ( resid   47 and name    HN )        ( resid   67 and name   HB# )         4.59  2.79  0.00 
assign ( resid   47 and name    HN )        ( resid   68 and name   HD# )         4.20  2.40  0.00 
assign ( resid   47 and name   HB# )        ( resid   48 and name    HN )         4.09  2.29  0.00 
assign ( resid   47 and name   HB# )        ( resid   67 and name    HN )         4.04  2.24  0.00 
assign ( resid   47 and name   HB# )        ( resid   67 and name    HA )         4.95  3.15  0.00 
assign ( resid   47 and name   HB# )        ( resid   67 and name   HB# )         4.46  2.66  0.00 
assign ( resid   47 and name   HB# )        ( resid   68 and name   HD# )         5.21  3.41  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name   HB# )         3.37  1.57  0.00 
assign ( resid   48 and name    HN )        ( resid   48 and name   HD# )         3.76  1.96  0.00 
assign ( resid   48 and name    HA )        ( resid   48 and name   HD# )         3.36  1.56  0.00 
assign ( resid   48 and name   HB# )        ( resid   49 and name    HN )         4.45  2.65  0.00 
assign ( resid   48 and name   HB# )        ( resid   64 and name  HG2# )         4.50  2.70  0.00 
assign ( resid   48 and name   HD# )        ( resid   49 and name    HN )         3.79  1.99  0.00 
assign ( resid   48 and name   HD# )        ( resid   49 and name    HA )         4.96  3.16  0.00 
assign ( resid   48 and name   HD# )        ( resid   50 and name  HD1# )         5.55  3.75  0.00 #loosened 
assign ( resid   48 and name   HD# )        ( resid   64 and name    HA )         4.86  3.06  0.00 
assign ( resid   48 and name   HD# )        ( resid   64 and name    HB )         4.00  2.20  0.00 
assign ( resid   49 and name    HA )        ( resid   50 and name  HG1# )         5.33  3.53  0.00 
assign ( resid   49 and name   HB# )        ( resid   50 and name    HN )         3.92  2.12  0.00 
assign ( resid   49 and name   HE1 )        ( resid   51 and name   HB# )         4.82  3.02  0.00 
assign ( resid   50 and name  HD1# )        ( resid   80 and name   HG# )         3.34  1.54  0.00 
assign ( resid   51 and name    HN )        ( resid   51 and name   HB# )         3.13  1.33  0.00 
assign ( resid   51 and name   HB# )        ( resid   52 and name    HN )         4.03  2.23  0.00 
assign ( resid   51 and name   HB# )        ( resid   53 and name    HN )         4.47  2.67  0.00 
assign ( resid   52 and name    HA )        ( resid   55 and name   HB# )         4.80  3.00  0.00 
assign ( resid   52 and name    HA )        ( resid   55 and name   HD# )         3.95  2.15  0.00 
assign ( resid   52 and name   HB# )        ( resid   55 and name   HB# )         4.24  2.44  0.00 
assign ( resid   53 and name    HN )        ( resid   55 and name   HD# )         5.49  3.69  0.00 
assign ( resid   53 and name    HA )        ( resid   55 and name   HD# )         4.45  2.65  0.00 
assign ( resid   53 and name  HG2# )        ( resid   54 and name   HA# )         4.77  2.97  0.00 
assign ( resid   54 and name    HN )        ( resid   55 and name   HB# )         5.00  3.20  0.00 
assign ( resid   54 and name    HN )        ( resid   55 and name   HD# )         4.57  2.77  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HB# )         2.80  1.00  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HG# )         3.50  1.70  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HD# )         3.46  1.66  0.00 
assign ( resid   55 and name    HN )        ( resid   55 and name   HE# )         4.51  2.71  0.00 
assign ( resid   55 and name    HA )        ( resid   55 and name   HG# )         3.52  1.72  0.00 
assign ( resid   55 and name    HA )        ( resid   55 and name   HD# )         4.01  2.21  0.00 
assign ( resid   55 and name   HB# )        ( resid   55 and name   HD# )         3.30  1.50  0.00 
assign ( resid   55 and name   HB# )        ( resid   56 and name    HN )         3.54  1.74  0.00 
assign ( resid   55 and name   HG# )        ( resid   55 and name   HE# )         3.03  1.23  0.00 
assign ( resid   56 and name    HN )        ( resid   84 and name   HD# )         5.00  3.20  0.00 
assign ( resid   56 and name    HA )        ( resid   57 and name   HG# )         4.06  2.26  0.00 
assign ( resid   57 and name    HN )        ( resid   57 and name   HG# )         2.63  0.83  0.00 
assign ( resid   57 and name    HN )        ( resid   84 and name   HD# )         3.55  1.75  0.00 
assign ( resid   57 and name    HA )        ( resid   57 and name   HG# )         3.05  1.25  0.00 
assign ( resid   57 and name    HA )        ( resid   84 and name   HD# )         3.65  1.85  0.00 
assign ( resid   57 and name   HG# )        ( resid   58 and name    HN )         3.38  1.58  0.00 
assign ( resid   57 and name   HG# )        ( resid   58 and name   HA1 )         3.85  2.05  0.00 
assign ( resid   57 and name   HG# )        ( resid   58 and name   HA2 )         4.47  2.67  0.00 
assign ( resid   57 and name   HG# )        ( resid   59 and name    HN )         5.46  3.66  0.00 
assign ( resid   57 and name   HG# )        ( resid   84 and name   HB1 )         5.92  4.12  0.00 
assign ( resid   57 and name   HG# )        ( resid   84 and name   HB2 )         4.34  2.54  0.00 
assign ( resid   57 and name   HG# )        ( resid   85 and name    HN )         4.44  2.64  0.00 
assign ( resid   57 and name   HG# )        ( resid   85 and name    HA )         3.17  1.37  0.00 
assign ( resid   57 and name   HG# )        ( resid   86 and name    HN )         3.33  1.53  0.00 
assign ( resid   57 and name   HG# )        ( resid   86 and name    HA )         3.97  2.17  0.00 
assign ( resid   57 and name   HG# )        ( resid   86 and name   HB# )         3.92  2.12  0.00 
assign ( resid   58 and name    HN )        ( resid   59 and name   HG# )         5.60  3.80  0.00 
assign ( resid   58 and name   HA1 )        ( resid   59 and name   HG# )         4.63  2.83  0.00 
assign ( resid   59 and name    HN )        ( resid   59 and name   HB# )         3.45  1.65  0.00 
assign ( resid   59 and name    HN )        ( resid   59 and name   HG# )         2.72  0.92  0.00 
assign ( resid   59 and name   HB# )        ( resid   60 and name    HN )         3.85  2.05  0.00 
assign ( resid   59 and name   HB# )        ( resid   82 and name    HN )         4.08  2.28  0.00 
assign ( resid   59 and name   HB# )        ( resid   83 and name    HN )         5.21  3.41  0.00 
assign ( resid   59 and name   HG# )        ( resid   81 and name  HG2# )         4.65  2.85  0.00 
assign ( resid   60 and name   HB# )        ( resid   61 and name    HN )         3.89  2.09  0.00 
assign ( resid   60 and name   HB# )        ( resid   81 and name  HG2# )         4.83  3.03  0.00 
assign ( resid   61 and name    HB )        ( resid   79 and name   HB# )         4.78  2.98  0.00 
assign ( resid   62 and name    HN )        ( resid   79 and name   HB# )         4.04  2.24  0.00 
assign ( resid   62 and name    HN )        ( resid   80 and name   HG# )         4.30  2.50  0.00 
assign ( resid   62 and name    HA )        ( resid   63 and name   HG# )         4.64  2.84  0.00 
assign ( resid   63 and name    HN )        ( resid   63 and name   HB# )         2.82  1.02  0.00 
assign ( resid   63 and name    HN )        ( resid   63 and name   HG# )         3.13  1.33  0.00 
assign ( resid   63 and name    HA )        ( resid   63 and name   HG# )         3.49  1.69  0.00 
assign ( resid   63 and name    HA )        ( resid   63 and name   HD# )         4.36  2.56  0.00 
assign ( resid   63 and name   HB# )        ( resid   64 and name    HN )         3.98  2.18  0.00 
assign ( resid   63 and name   HG# )        ( resid   64 and name    HN )         4.57  2.77  0.00 
assign ( resid   64 and name    HA )        ( resid   64 and name  HG1# )         3.70  1.90  0.00 
assign ( resid   64 and name  HG2# )        ( resid   64 and name  HG1# )         3.36  1.56  0.00 
assign ( resid   66 and name   HE1 )        ( resid   68 and name   HD# )         3.39  1.59  0.00 
assign ( resid   67 and name    HN )        ( resid   68 and name   HD# )         3.59  1.79  0.00 
assign ( resid   67 and name    HA )        ( resid   68 and name   HD# )         4.31  2.51  0.00 
assign ( resid   67 and name   HB# )        ( resid   68 and name   HD# )         4.85  3.05  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name   HB# )         3.51  1.71  0.00 
assign ( resid   68 and name    HN )        ( resid   68 and name   HD# )         3.84  2.04  0.00 
assign ( resid   68 and name    HN )        ( resid   69 and name   HD# )         4.85  3.05  0.00 
assign ( resid   68 and name    HA )        ( resid   68 and name   HD# )         3.62  1.82  0.00 
assign ( resid   68 and name   HB# )        ( resid   69 and name   HD# )         4.03  2.23  0.00 
assign ( resid   68 and name   HD# )        ( resid   69 and name   HD# )         4.95  3.15  0.00 
assign ( resid   71 and name   HA# )        ( resid   72 and name    HN )         3.12  1.32  0.00 
assign ( resid   72 and name    HN )        ( resid   72 and name  HG1# )         4.56  2.76  0.00 
assign ( resid   72 and name  HG1# )        ( resid   73 and name    HN )         4.28  2.48  0.00 
assign ( resid   74 and name    HA )        ( resid   75 and name   HG# )         4.32  2.52  0.00 
assign ( resid   74 and name   HB# )        ( resid   75 and name    HN )         4.16  2.36  0.00 
assign ( resid   74 and name   HB# )        ( resid   76 and name    HN )         4.48  2.68  0.00 
assign ( resid   75 and name    HN )        ( resid   75 and name   HG# )         3.04  1.24  0.00 
assign ( resid   75 and name    HN )        ( resid   76 and name   HB# )         5.60  3.80  0.00 
assign ( resid   75 and name    HA )        ( resid   75 and name   HG# )         2.92  1.12  0.00 
assign ( resid   75 and name    HB )        ( resid   76 and name   HB# )         4.39  2.59  0.00 
assign ( resid   75 and name   HG# )        ( resid   76 and name    HN )         3.17  1.37  0.00 
assign ( resid   75 and name   HG# )        ( resid   76 and name    HA )         4.52  2.72  0.00 
assign ( resid   75 and name   HG# )        ( resid   76 and name   HB# )         3.44  1.64  0.00 
assign ( resid   77 and name  HG2# )        ( resid   76 and name   HB# )         4.00  2.20  0.00 #new
assign ( resid   76 and name    HN )        ( resid   76 and name   HB# )         3.17  1.37  0.00 
assign ( resid   76 and name   HB# )        ( resid   77 and name    HN )         3.82  2.02  0.00 
assign ( resid   77 and name    HA )        ( resid   78 and name   HD# )         3.94  2.14  0.00 
assign ( resid   77 and name  HG1# )        ( resid   78 and name   HD# )         4.84  3.04  0.00 #loosened
assign ( resid   77 and name  HD1# )        ( resid   78 and name   HD# )         5.68  3.88  0.00 
assign ( resid   78 and name   HB# )        ( resid   79 and name    HN )         2.97  1.17  0.00 
assign ( resid   79 and name    HN )        ( resid   79 and name   HB# )         2.88  1.08  0.00 
assign ( resid   79 and name    HA )        ( resid   80 and name   HG# )         4.21  2.41  0.00 
assign ( resid   79 and name   HB# )        ( resid   80 and name    HN )         3.00  1.20  0.00 
assign ( resid   80 and name    HN )        ( resid   80 and name   HG# )         3.34  1.54  0.00 
assign ( resid   80 and name   HG# )        ( resid   81 and name    HN )         3.18  1.38  0.00 
assign ( resid   80 and name   HG# )        ( resid   81 and name    HB )         5.27  3.47  0.00 
assign ( resid   80 and name   HG# )        ( resid   82 and name    HN )         4.67  2.87  0.00 
assign ( resid   80 and name   HG# )        ( resid   82 and name   HB# )         5.21  3.41  0.00 
assign ( resid   82 and name   HB# )        ( resid   83 and name    HN )         3.38  1.58  0.00 
assign ( resid   83 and name    HA )        ( resid   84 and name   HD# )         5.58  3.78  0.00 
assign ( resid   84 and name    HN )        ( resid   84 and name   HD# )         5.00  3.20  0.00 
assign ( resid   84 and name    HA )        ( resid   84 and name   HD# )         3.22  1.42  0.00 
assign ( resid   84 and name    HA )        ( resid   85 and name   HB# )         5.81  4.01  0.00 
assign ( resid   84 and name   HD# )        ( resid   85 and name    HN )         3.27  1.47  0.00 
assign ( resid   84 and name   HD# )        ( resid   86 and name    HN )         5.14  3.34  0.00 #loosened
assign ( resid   84 and name   HD# )        ( resid   86 and name    HA )         5.46  3.66  0.00 
assign ( resid   85 and name    HA )        ( resid   85 and name   HD# )         4.32  2.52  0.00 
assign ( resid   85 and name   HB# )        ( resid   86 and name    HN )         3.27  1.47  0.00 
assign ( resid   85 and name   HD# )        ( resid   86 and name    HN )         5.04  3.24  0.00 
assign ( resid   87 and name    HN )        ( resid   87 and name   HB# )         3.22  1.42  0.00 
assign ( resid   87 and name    HN )        ( resid   87 and name   HG# )         3.86  2.06  0.00 
assign ( resid   87 and name    HA )        ( resid   87 and name   HG# )         3.67  1.87  0.00 
assign ( resid   87 and name    HA )        ( resid   87 and name   HD# )         4.21  2.41  0.00 
assign ( resid   87 and name   HB# )        ( resid   88 and name    HN )         4.21  2.41  0.00 
assign ( resid   87 and name   HB# )        ( resid   89 and name    HN )         5.71  3.91  0.00 
assign ( resid   87 and name   HG# )        ( resid   88 and name    HN )         3.99  2.19  0.00 
assign ( resid   87 and name   HD# )        ( resid   88 and name    HN )         3.62  1.82  0.00 
assign ( resid   87 and name   HD# )        ( resid   89 and name    HN )         5.81  4.01  0.00 
assign ( resid   88 and name    HN )        ( resid   88 and name   HB# )         3.22  1.42  0.00 
assign ( resid   88 and name   HB# )        ( resid   89 and name    HN )         4.43  2.63  0.00 
assign ( resid   89 and name    HN )        ( resid   89 and name   HB# )         2.90  1.10  0.00 
assign ( resid   89 and name   HB# )        ( resid   90 and name   HD1 )         4.38  2.58  0.00 
assign ( resid   89 and name   HB# )        ( resid   91 and name    HN )         4.13  2.33  0.00 
assign ( resid   89 and name   HB# )        ( resid   92 and name    HN )         3.70  1.90  0.00 
assign ( resid   90 and name   HB2 )        ( resid   91 and name   HD# )         4.79  2.99  0.00 
assign ( resid   91 and name    HN )        ( resid   91 and name   HD# )         3.62  1.82  0.00 
assign ( resid   91 and name    HA )        ( resid   91 and name   HD# )         3.53  1.73  0.00 
assign ( resid   91 and name   HB# )        ( resid   92 and name    HN )         3.53  1.73  0.00 
assign ( resid   91 and name   HD# )        ( resid   92 and name    HN )         4.04  2.24  0.00 


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   )  1.2  1.5

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   )  -10.7  1.5

#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   )  -21.0  1.5

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   )  3.0  1.5

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   )  12.3  1.5

#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   )  -5.1  1.5

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   )  -6.5  1.5

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   )  13.7  1.5

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   )  14.3  1.5

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   )  5.4  1.5

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   )  -5.6  1.5

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 N   )
       ( resid 24    and name HN   )  -12.6  1.5

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   )  -5.2  1.5

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   )  -3.5  1.5

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   )  -11.2  1.5

#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   )  -9.4  2.0

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 N   )
       ( resid 37    and name HN   )  -18.7  1.5

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   )  -15.6  1.5

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   )  -2.8  1.5

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   )  -7.9  1.5

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   )  -7.5  1.5

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 N   )
       ( resid 43    and name HN   )  -2.0  1.5

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   )  12.2  1.5

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   )  -7.8  1.5

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   )  -6.5  2.0

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   )  -7.9  1.5

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   )  -21.6  1.5

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   )  -19.1  1.5

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   )  -1.8  1.5

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   )  0.3  1.5

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   )  5.7  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62    and name N   )
       ( resid 62    and name HN   )  -2.5  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63    and name N   )
       ( resid 63    and name HN   )  -1.9  1.5

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   )  -7.1  1.5

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   )  -6.0  1.5

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   )  7.8  1.5

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   )  -17.4  1.5

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   )  -1.9  1.5

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 N   )
       ( resid 75    and name HN   )  -3.2  1.5

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 N   )
       ( resid 77    and name HN   )  -0.2  1.5

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 N   )
       ( resid 79    and name HN   )  -13.3  1.5

#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   )  -11.1  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80    and name N   )
       ( resid 80    and name HN   )  -5.6  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82    and name N   )
       ( resid 82    and name HN   )  -0.4  1.5

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 83    and name N   )
#       ( resid 83    and name HN   )  2.2  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 85    and name N   )
#       ( resid 85    and name HN   )  12.8  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 86    and name N   )
       ( resid 86    and name HN   )  12.4  1.5

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 87    and name N   )
#       ( resid 87    and name HN   )  -2.1  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 89    and name N   )
#       ( resid 89    and name HN   )  5.4  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 91    and name N   )
#       ( resid 91    and name HN   )  0.3  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 92    and name N   )
#       ( resid 92    and name HN   )  1.4  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 93    and name N   )
#       ( resid 93    and name HN   )  4.1  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 94    and name N   )
#       ( resid 94    and name HN   )  -2.0  1.5

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  9    and name C    )  -6.28  1.5

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 10    and name C    )  6.12  1.5

#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 11    and name C    )  -4.58  1.5

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 12    and name C    )  -17.47  1.5

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 13    and name C    )  -5.68  1.5

#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 15    and name C    )  -17.00  1.5

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 16    and name C    )  8.21  1.5

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 17    and name C    )  7.70  1.5

#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 18    and name C    )  -10.30  1.5

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 19    and name C    )  15.70  1.5

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 21    and name C    )  7.93  1.5

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 N   )
       ( resid 23    and name C    )  7.50  1.5

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 25    and name C    )  8.52  1.5

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 26    and name C    )  7.44  1.5

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 27    and name C    )  -16.78  1.5

#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 29    and name C    )  -10.70  1.5
#
#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 30    and name C    )  24.22  1.5

#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 N   )
#       ( resid 32    and name C    )  31.17  1.5

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 33    and name C    )  15.11  1.5

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 35    and name C    )  10.23  1.5

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 N   )
       ( resid 36    and name C    )  12.75  1.5

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 37    and name C    )  -13.03  1.5

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 38    and name C    )  20.92  1.5

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 39    and name C    )  -7.42  3.0

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 40    and name C    )  9.93  1.5

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 41    and name C    )  -11.84  1.5

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 N   )
       ( resid 42    and name C    )  7.42  1.5

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 43    and name C    )  -5.65  1.5

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 44    and name C    )  -6.41  1.5

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 46    and name C    )  1.51  1.5

#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 48    and name C    )  13.15  1.5

#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 49    and name C    )  11.79  1.5

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 51    and name C    )  -9.37  1.5

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 52    and name C    )  1.81  1.5

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 53    and name C    )  8.76  1.5

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 55    and name C    )  9.30  1.5

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 56    and name C    )  9.84  1.5

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 57    and name C    )  -4.70  1.5

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 58    and name C    )  -20.21  1.5

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 59    and name C    )  24.79  1.5

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 60    and name C    )  -12.59  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62    and name N   )
       ( resid 61    and name C    )  20.17  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63    and name N   )
       ( resid 62    and name C    )  3.93  1.5

#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 N   )
#       ( resid 63    and name C    )  17.16  1.5

#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 64    and name C    )  -24.22  1.5

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 66    and name C    )  10.40  1.5

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 67    and name C    )  4.83  1.5

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 70    and name C    )  -12.94  1.5

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 71    and name C    )  11.11  1.5

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 72    and name C    )  -14.22  1.5

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 N   )
       ( resid 74    and name C    )  -5.78  1.5

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 N   )
       ( resid 76    and name C    )  19.16  1.5

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 N   )
       ( resid 78    and name C    )  22.01  1.5

#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 6    and name C    )  -1.55  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80    and name N   )
       ( resid 79    and name C    )  -9.30  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82    and name N   )
       ( resid 81    and name C    )  -5.38  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 83    and name N   )
       ( resid 82    and name C    )  -9.06  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 85    and name N   )
       ( resid 84    and name C    )  -16.49  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 86    and name N   )
       ( resid 85    and name C    )  15.68  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 87    and name N   )
       ( resid 86    and name C    )  -6.08  1.5

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 89    and name N   )
#       ( resid 89    and name C    )  3.66  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 91    and name N   )
#       ( resid 91    and name C    )  0.91  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 92    and name N   )
#       ( resid 92    and name C    )  -1.28  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 93    and name N   )
#       ( resid 93    and name C    )  1.23  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 94    and name N   )
#       ( resid 94    and name C    )  3.35  1.5
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   )  0.50  1.5

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   )  6.30  1.5

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   )  7.40  1.5

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   )  -3.80  3.0

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   )  -10.30  3.0

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   )  1.80  1.5

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   )  4.90  1.5

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   )  -11.20  3.0

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   )  -7.60  3.0

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   )  -5.40  1.5

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   )  4.70  1.5

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 N   )
       ( resid 24    and name HN   )  3.80  1.5

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   )  2.10  1.5

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   )  -2.20  1.5

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   )  3.60  3.0

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   )  9.80  3.0

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 N   )
       ( resid 37    and name HN   )  9.60  1.5

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   )  9.90  1.5

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   )  3.00  1.5

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   )  6.30  1.5

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   )  4.80  1.5

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 N   )
       ( resid 43    and name HN   )  1.40  1.5

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   )  -5.60  1.5

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   )  5.30  1.5

#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   )  1.90  1.5

#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   )  -0.40  1.5

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   )  11.10  1.5

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   )  8.90  3.0

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   )  0.90  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62    and name N   )
       ( resid 62    and name HN   )  1.40  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63    and name N   )
       ( resid 63    and name HN   )  1.10  1.5

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   )  3.50  1.5

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   )  3.50  1.5

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   )  -3.90  1.5

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   )  13.60  3.0

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   )  1.70  1.5

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 N   )
       ( resid 75    and name HN   )  1.00  1.5

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 N   )
       ( resid 77    and name HN   )  -1.10  1.5

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 N   )
       ( resid 79    and name HN   )  5.80  1.5

#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   )  2.90  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80    and name N   )
       ( resid 80    and name HN   )  3.20  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82    and name N   )
       ( resid 82    and name HN   )  -0.90  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 83    and name N   )
       ( resid 83    and name HN   )  -1.40  1.5

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 85    and name N   )
       ( resid 85    and name HN   )  -12.10  3.0

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 86    and name N   )
       ( resid 86    and name HN   )  -12.30  3.0

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 87    and name N   )
       ( resid 87    and name HN   )  1.00  1.5

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 89    and name N   )
#       ( resid 89    and name HN   )  -6.20  1.5
#
#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 91    and name N   )
#       ( resid 91    and name HN   )  1.20  1.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1  -7.263  19.647  13.164
    2    H2   MET   1           2H       MET   1  -6.115  18.458  12.773
    3    H3   MET   1           3H       MET   1  -7.276  18.929  11.627
    4    HA   MET   1           HA       MET   1  -6.246  21.266  11.915
    5    HB2  MET   1           1HB      MET   1  -3.986  19.405  12.768
    6    HB3  MET   1           2HB      MET   1  -3.816  21.129  12.435
    7    HG2  MET   1           1HG      MET   1  -5.605  19.983  14.615
    8    HG3  MET   1           2HG      MET   1  -3.984  20.616  14.885
    9    HE1  MET   1           3HE      MET   1  -6.179  21.568  16.543
   10    HE2  MET   1           1HE      MET   1  -6.184  23.336  16.474
   11    HE3  MET   1           2HE      MET   1  -4.661  22.459  16.609
   12    H    LYS   2           H        LYS   2  -6.979  18.859  10.230
   13    HA   LYS   2           HA       LYS   2  -5.633  19.671   7.825
   14    HB2  LYS   2           1HB      LYS   2  -4.492  17.534   7.346
   15    HB3  LYS   2           2HB      LYS   2  -3.820  18.297   8.787
   16    HG2  LYS   2           1HG      LYS   2  -5.354  16.811  10.192
   17    HG3  LYS   2           2HG      LYS   2  -5.783  15.957   8.712
   18    HD2  LYS   2           1HD      LYS   2  -2.975  16.206   9.856
   19    HD3  LYS   2           2HD      LYS   2  -3.993  14.774   9.955
   20    HE2  LYS   2           1HE      LYS   2  -4.043  14.818   7.358
   21    HE3  LYS   2           2HE      LYS   2  -2.699  15.958   7.471
   22    HZ1  LYS   2           3HZ      LYS   2  -1.476  14.352   8.767
   23    HZ2  LYS   2           1HZ      LYS   2  -1.932  13.685   7.275
   24    HZ3  LYS   2           2HZ      LYS   2  -2.772  13.256   8.689
   25    H    THR   3           H        THR   3  -6.058  17.636   6.168
   26    HA   THR   3           HA       THR   3  -8.621  16.330   6.518
   27    HB   THR   3           HB       THR   3  -9.518  18.535   6.044
   28    HG1  THR   3           HG1      THR   3 -10.653  17.100   4.897
   29   HG21  THR   3          3HG2      THR   3  -8.843  19.806   4.027
   30   HG22  THR   3          1HG2      THR   3  -7.620  18.592   3.664
   31   HG23  THR   3          2HG2      THR   3  -7.477  19.581   5.116
   32    H    LEU   4           H        LEU   4  -5.778  17.080   4.702
   33    HA   LEU   4           HA       LEU   4  -6.276  15.594   2.342
   34    HB2  LEU   4           1HB      LEU   4  -3.602  16.079   3.713
   35    HB3  LEU   4           2HB      LEU   4  -3.857  15.706   2.008
   36    HG   LEU   4           HG       LEU   4  -4.837  18.221   3.424
   37   HD11  LEU   4          1HD1      LEU   4  -3.109  19.379   2.073
   38   HD12  LEU   4          2HD1      LEU   4  -2.573  17.824   1.437
   39   HD13  LEU   4          3HD1      LEU   4  -2.386  18.186   3.154
   40   HD21  LEU   4          3HD2      LEU   4  -5.076  17.269   0.535
   41   HD22  LEU   4          1HD2      LEU   4  -5.213  18.976   0.964
   42   HD23  LEU   4          2HD2      LEU   4  -6.362  17.821   1.610
   43    H    TYR   5           H        TYR   5  -4.562  14.658   5.312
   44    HA   TYR   5           HA       TYR   5  -3.869  12.594   6.088
   45    HB2  TYR   5           1HB      TYR   5  -6.593  11.895   4.929
   46    HB3  TYR   5           2HB      TYR   5  -5.658  10.775   5.914
   47    HD1  TYR   5           HD1      TYR   5  -4.816  11.642   8.246
   48    HD2  TYR   5           HD2      TYR   5  -8.071  13.455   6.069
   49    HE1  TYR   5           HE1      TYR   5  -5.649  12.684  10.337
   50    HE2  TYR   5           HE2      TYR   5  -8.887  14.488   8.170
   51    HH   TYR   5           HH       TYR   5  -8.196  15.061  10.329
   52    H    ASP   6           H        ASP   6  -2.098  12.519   4.527
   53    HA   ASP   6           HA       ASP   6  -2.400  11.094   2.023
   54    HB2  ASP   6           1HB      ASP   6  -0.717  12.902   2.359
   55    HB3  ASP   6           2HB      ASP   6   0.138  11.883   3.511
   56    H    LEU   7           H        LEU   7  -1.826  10.236   5.303
   57    HA   LEU   7           HA       LEU   7  -1.463   8.320   6.360
   58    HB2  LEU   7           1HB      LEU   7  -2.253   6.952   3.775
   59    HB3  LEU   7           2HB      LEU   7  -2.334   6.259   5.390
   60    HG   LEU   7           HG       LEU   7  -3.947   8.658   4.415
   61   HD11  LEU   7          1HD1      LEU   7  -5.886   7.112   4.582
   62   HD12  LEU   7          2HD1      LEU   7  -4.787   5.797   4.996
   63   HD13  LEU   7          3HD1      LEU   7  -4.701   6.550   3.402
   64   HD21  LEU   7          3HD2      LEU   7  -3.709   8.985   6.768
   65   HD22  LEU   7          1HD2      LEU   7  -3.794   7.258   7.121
   66   HD23  LEU   7          2HD2      LEU   7  -5.243   8.145   6.639
   67    HA   PRO   8           HA       PRO   8   2.767   7.140   5.600
   68    HB2  PRO   8           1HB      PRO   8   2.038   4.311   6.437
   69    HB3  PRO   8           2HB      PRO   8   3.354   5.352   7.038
   70    HG2  PRO   8           1HG      PRO   8   1.186   5.009   8.527
   71    HG3  PRO   8           2HG      PRO   8   1.897   6.634   8.365
   72    HD2  PRO   8           1HD      PRO   8  -0.552   5.514   6.956
   73    HD3  PRO   8           2HD      PRO   8  -0.302   7.102   7.714
   74    H    ILE   9           H        ILE   9   0.168   5.362   4.180
   75    HA   ILE   9           HA       ILE   9   1.827   3.825   2.343
   76    HB   ILE   9           HB       ILE   9  -1.183   4.262   2.182
   77   HG12  ILE   9          1HG1      ILE   9  -0.728   3.480   4.455
   78   HG13  ILE   9          2HG1      ILE   9  -1.374   2.137   3.523
   79   HG21  ILE   9          1HG2      ILE   9   0.636   2.014   1.217
   80   HG22  ILE   9          2HG2      ILE   9  -0.142   3.217   0.183
   81   HG23  ILE   9          3HG2      ILE   9  -1.116   2.034   1.068
   82   HD11  ILE   9          3HD1      ILE   9   1.470   2.601   4.436
   83   HD12  ILE   9          1HD1      ILE   9   1.126   1.474   3.121
   84   HD13  ILE   9          2HD1      ILE   9   0.443   1.201   4.720
   85    H    VAL  10           H        VAL  10   2.670   4.604   0.569
   86    HA   VAL  10           HA       VAL  10   1.488   7.029  -0.731
   87    HB   VAL  10           HB       VAL  10   3.851   7.173   0.166
   88   HG11  VAL  10          1HG1      VAL  10   4.476   4.810  -0.525
   89   HG12  VAL  10          2HG1      VAL  10   5.671   6.039  -0.906
   90   HG13  VAL  10          3HG1      VAL  10   4.629   5.406  -2.173
   91   HG21  VAL  10          3HG2      VAL  10   3.529   7.494  -2.852
   92   HG22  VAL  10          1HG2      VAL  10   4.742   8.311  -1.868
   93   HG23  VAL  10          2HG2      VAL  10   3.034   8.687  -1.653
   94    H    LEU  11           H        LEU  11   1.056   7.023  -2.887
   95    HA   LEU  11           HA       LEU  11   1.064   4.355  -4.211
   96    HB2  LEU  11           1HB      LEU  11  -1.075   5.987  -3.851
   97    HB3  LEU  11           2HB      LEU  11  -0.513   6.636  -5.387
   98    HG   LEU  11           HG       LEU  11  -1.247   3.727  -4.792
   99   HD11  LEU  11          1HD1      LEU  11  -2.992   4.093  -6.482
  100   HD12  LEU  11          2HD1      LEU  11  -2.464   5.765  -6.654
  101   HD13  LEU  11          3HD1      LEU  11  -3.155   5.216  -5.133
  102   HD21  LEU  11          3HD2      LEU  11   0.072   4.962  -7.246
  103   HD22  LEU  11          1HD2      LEU  11  -0.856   3.475  -7.340
  104   HD23  LEU  11          2HD2      LEU  11   0.554   3.534  -6.343
  105    H    ARG  12           H        ARG  12   2.443   3.984  -5.789
  106    HA   ARG  12           HA       ARG  12   3.845   6.242  -7.126
  107    HB2  ARG  12           1HB      ARG  12   5.263   4.624  -5.869
  108    HB3  ARG  12           2HB      ARG  12   4.671   3.327  -6.902
  109    HG2  ARG  12           1HG      ARG  12   5.649   4.373  -8.890
  110    HG3  ARG  12           2HG      ARG  12   6.112   5.798  -7.961
  111    HD2  ARG  12           1HD      ARG  12   7.166   2.991  -7.473
  112    HD3  ARG  12           2HD      ARG  12   8.028   4.262  -8.346
  113    HE   ARG  12           HE       ARG  12   7.261   5.285  -5.833
  114   HH11  ARG  12          1HH2      ARG  12   9.385   2.905  -7.204
  115   HH12  ARG  12          2HH2      ARG  12  10.541   3.011  -5.919
  116   HH21  ARG  12          1HH1      ARG  12   8.766   5.417  -4.167
  117   HH22  ARG  12          2HH1      ARG  12  10.192   4.432  -4.201
  118    H    ASN  13           H        ASN  13   4.146   6.196  -9.336
  119    HA   ASN  13           HA       ASN  13   3.449   6.031 -11.485
  120    HB2  ASN  13           1HB      ASN  13   4.484   3.727 -11.009
  121    HB3  ASN  13           2HB      ASN  13   2.839   3.113 -10.872
  122   HD21  ASN  13          2HD2      ASN  13   5.122   2.842 -13.024
  123   HD22  ASN  13          1HD2      ASN  13   4.297   3.133 -14.479
  124    H    LEU  14           H        LEU  14   1.570   7.118  -9.876
  125    HA   LEU  14           HA       LEU  14  -1.033   5.845 -10.247
  126    HB2  LEU  14           1HB      LEU  14  -0.696   7.101  -8.214
  127    HB3  LEU  14           2HB      LEU  14  -0.165   8.521  -9.104
  128    HG   LEU  14           HG       LEU  14  -2.426   8.950  -9.947
  129   HD11  LEU  14          1HD1      LEU  14  -3.346   6.859 -10.513
  130   HD12  LEU  14          2HD1      LEU  14  -4.349   7.360  -9.158
  131   HD13  LEU  14          3HD1      LEU  14  -3.070   6.175  -8.919
  132   HD21  LEU  14          3HD2      LEU  14  -3.687   9.281  -7.866
  133   HD22  LEU  14          1HD2      LEU  14  -1.992   9.717  -7.647
  134   HD23  LEU  14          2HD2      LEU  14  -2.598   8.187  -7.020
  135    HA   PRO  15           HA       PRO  15  -1.111   8.044 -14.346
  136    HB2  PRO  15           1HB      PRO  15  -3.634   6.405 -14.645
  137    HB3  PRO  15           2HB      PRO  15  -2.305   6.624 -15.809
  138    HG2  PRO  15           1HG      PRO  15  -2.505   4.335 -14.514
  139    HG3  PRO  15           2HG      PRO  15  -0.913   5.110 -14.682
  140    HD2  PRO  15           1HD      PRO  15  -2.754   5.162 -12.254
  141    HD3  PRO  15           2HD      PRO  15  -1.037   4.795 -12.345
  142    H    GLU  16           H        GLU  16  -1.897  10.116 -14.181
  143    HA   GLU  16           HA       GLU  16  -3.770  11.113 -12.442
  144    HB2  GLU  16           1HB      GLU  16  -3.929  13.078 -13.966
  145    HB3  GLU  16           2HB      GLU  16  -2.263  12.544 -13.744
  146    HG2  GLU  16           1HG      GLU  16  -2.531  11.195 -15.934
  147    HG3  GLU  16           2HG      GLU  16  -4.041  12.063 -16.182
  148    H    ASP  17           H        ASP  17  -4.406  10.151 -15.814
  149    HA   ASP  17           HA       ASP  17  -7.041  10.752 -16.139
  150    HB2  ASP  17           1HB      ASP  17  -5.621   9.651 -17.844
  151    HB3  ASP  17           2HB      ASP  17  -5.750   8.130 -16.966
  152    H    LEU  18           H        LEU  18  -5.795   8.443 -13.915
  153    HA   LEU  18           HA       LEU  18  -8.536   7.468 -13.221
  154    HB2  LEU  18           1HB      LEU  18  -5.879   6.154 -12.533
  155    HB3  LEU  18           2HB      LEU  18  -7.492   5.475 -12.349
  156    HG   LEU  18           HG       LEU  18  -6.129   6.142 -14.992
  157   HD11  LEU  18          1HD1      LEU  18  -5.939   3.789 -15.365
  158   HD12  LEU  18          2HD1      LEU  18  -6.940   3.393 -13.973
  159   HD13  LEU  18          3HD1      LEU  18  -5.319   4.059 -13.738
  160   HD21  LEU  18          3HD2      LEU  18  -8.429   6.490 -15.451
  161   HD22  LEU  18          1HD2      LEU  18  -8.956   5.217 -14.351
  162   HD23  LEU  18          2HD2      LEU  18  -8.217   4.806 -15.904
  163    H    VAL  19           H        VAL  19  -9.201   7.587 -11.133
  164    HA   VAL  19           HA       VAL  19  -7.430   8.833  -9.094
  165    HB   VAL  19           HB       VAL  19  -9.234  10.437  -8.461
  166   HG11  VAL  19          1HG1      VAL  19  -8.834  12.039 -10.249
  167   HG12  VAL  19          2HG1      VAL  19  -8.390  10.757 -11.376
  168   HG13  VAL  19          3HG1      VAL  19  -7.351  11.123  -9.996
  169   HG21  VAL  19          3HG2      VAL  19 -11.180   9.238  -9.433
  170   HG22  VAL  19          1HG2      VAL  19 -10.538   9.495 -11.054
  171   HG23  VAL  19          2HG2      VAL  19 -11.083  10.868 -10.090
  172    H    LEU  20           H        LEU  20  -8.001   8.500  -7.000
  173    HA   LEU  20           HA       LEU  20  -9.630   6.097  -6.497
  174    HB2  LEU  20           1HB      LEU  20  -7.250   7.386  -5.294
  175    HB3  LEU  20           2HB      LEU  20  -8.418   6.997  -4.043
  176    HG   LEU  20           HG       LEU  20  -7.607   4.896  -6.107
  177   HD11  LEU  20          1HD1      LEU  20  -6.242   5.419  -3.456
  178   HD12  LEU  20          2HD1      LEU  20  -5.536   5.682  -5.049
  179   HD13  LEU  20          3HD1      LEU  20  -5.930   4.049  -4.528
  180   HD21  LEU  20          3HD2      LEU  20  -8.361   3.327  -4.426
  181   HD22  LEU  20          1HD2      LEU  20  -9.639   4.517  -4.647
  182   HD23  LEU  20          2HD2      LEU  20  -8.583   4.611  -3.237
  183    H    GLU  21           H        GLU  21 -11.650   6.255  -5.803
  184    HA   GLU  21           HA       GLU  21 -13.023   8.642  -5.329
  185    HB2  GLU  21           1HB      GLU  21 -14.811   7.153  -4.350
  186    HB3  GLU  21           2HB      GLU  21 -14.229   6.607  -5.922
  187    HG2  GLU  21           1HG      GLU  21 -12.762   4.944  -4.849
  188    HG3  GLU  21           2HG      GLU  21 -13.251   5.499  -3.256
  189    H    LYS  22           H        LYS  22 -11.259   6.568  -3.110
  190    HA   LYS  22           HA       LYS  22 -11.435   8.640  -1.025
  191    HB2  LYS  22           1HB      LYS  22 -12.741   5.924  -0.856
  192    HB3  LYS  22           2HB      LYS  22 -11.944   6.491   0.597
  193    HG2  LYS  22           1HG      LYS  22 -13.322   8.552   0.564
  194    HG3  LYS  22           2HG      LYS  22 -14.087   8.019  -0.924
  195    HD2  LYS  22           1HD      LYS  22 -15.561   7.541   0.963
  196    HD3  LYS  22           2HD      LYS  22 -14.996   6.031   0.252
  197    HE2  LYS  22           1HE      LYS  22 -13.550   5.577   2.110
  198    HE3  LYS  22           2HE      LYS  22 -13.551   7.263   2.640
  199    HZ1  LYS  22           3HZ      LYS  22 -15.639   7.077   3.519
  200    HZ2  LYS  22           1HZ      LYS  22 -14.998   5.544   3.857
  201    HZ3  LYS  22           2HZ      LYS  22 -16.066   5.748   2.551
  202    HA   PRO  23           HA       PRO  23  -7.255   7.452  -0.282
  203    HB2  PRO  23           1HB      PRO  23  -6.941   7.822   2.453
  204    HB3  PRO  23           2HB      PRO  23  -7.109   9.179   1.313
  205    HG2  PRO  23           1HG      PRO  23  -9.263   7.841   2.959
  206    HG3  PRO  23           2HG      PRO  23  -8.896   9.580   2.817
  207    HD2  PRO  23           1HD      PRO  23 -10.883   8.532   1.345
  208    HD3  PRO  23           2HD      PRO  23  -9.775   9.700   0.589
  209    H    LEU  24           H        LEU  24  -5.900   5.839   0.564
  210    HA   LEU  24           HA       LEU  24  -6.936   3.255   0.633
  211    HB2  LEU  24           1HB      LEU  24  -4.259   4.144   1.701
  212    HB3  LEU  24           2HB      LEU  24  -4.685   2.520   1.156
  213    HG   LEU  24           HG       LEU  24  -4.633   5.022  -0.598
  214   HD11  LEU  24          1HD1      LEU  24  -2.389   4.216   0.026
  215   HD12  LEU  24          2HD1      LEU  24  -2.700   3.971  -1.689
  216   HD13  LEU  24          3HD1      LEU  24  -2.806   2.614  -0.574
  217   HD21  LEU  24          3HD2      LEU  24  -6.302   3.618  -1.592
  218   HD22  LEU  24          1HD2      LEU  24  -5.410   2.139  -1.214
  219   HD23  LEU  24          2HD2      LEU  24  -4.843   3.226  -2.484
  220    HA   PRO  25           HA       PRO  25  -8.536   3.344   4.922
  221    HB2  PRO  25           1HB      PRO  25  -8.696   0.358   4.350
  222    HB3  PRO  25           2HB      PRO  25  -9.907   1.409   5.130
  223    HG2  PRO  25           1HG      PRO  25 -10.273   0.704   2.613
  224    HG3  PRO  25           2HG      PRO  25 -10.529   2.402   3.080
  225    HD2  PRO  25           1HD      PRO  25  -8.128   1.201   1.652
  226    HD3  PRO  25           2HD      PRO  25  -9.002   2.718   1.327
  227    H    GLU  26           H        GLU  26  -7.397   3.215   6.809
  228    HA   GLU  26           HA       GLU  26  -4.740   2.145   6.882
  229    HB2  GLU  26           1HB      GLU  26  -5.461   4.175   8.159
  230    HB3  GLU  26           2HB      GLU  26  -6.445   3.154   9.203
  231    HG2  GLU  26           1HG      GLU  26  -4.406   1.913   9.911
  232    HG3  GLU  26           2HG      GLU  26  -3.426   2.912   8.844
  233    H    VAL  27           H        VAL  27  -3.981   0.379   7.948
  234    HA   VAL  27           HA       VAL  27  -5.789  -1.441   9.393
  235    HB   VAL  27           HB       VAL  27  -6.032  -2.084   7.023
  236   HG11  VAL  27          1HG1      VAL  27  -4.119  -2.929   5.725
  237   HG12  VAL  27          2HG1      VAL  27  -3.023  -2.586   7.058
  238   HG13  VAL  27          3HG1      VAL  27  -3.822  -1.260   6.212
  239   HG21  VAL  27          3HG2      VAL  27  -5.534  -4.463   7.273
  240   HG22  VAL  27          1HG2      VAL  27  -6.034  -3.845   8.844
  241   HG23  VAL  27          2HG2      VAL  27  -4.330  -4.131   8.510
  242    H    SER  28           H        SER  28  -4.717  -2.951  10.677
  243    HA   SER  28           HA       SER  28  -2.031  -2.139  11.543
  244    HB2  SER  28           1HB      SER  28  -3.950  -4.215  12.651
  245    HB3  SER  28           2HB      SER  28  -2.448  -3.695  13.415
  246    HG   SER  28           HG       SER  28  -4.716  -2.626  13.817
  247    H    VAL  29           H        VAL  29  -0.348  -3.695  11.887
  248    HA   VAL  29           HA       VAL  29  -0.381  -6.111  10.107
  249    HB   VAL  29           HB       VAL  29   1.770  -5.557   9.179
  250   HG11  VAL  29          1HG1      VAL  29   1.398  -3.393   8.078
  251   HG12  VAL  29          2HG1      VAL  29   0.244  -2.912   9.321
  252   HG13  VAL  29          3HG1      VAL  29  -0.131  -4.228   8.232
  253   HG21  VAL  29          3HG2      VAL  29   1.917  -3.312  11.251
  254   HG22  VAL  29          1HG2      VAL  29   3.047  -3.461   9.904
  255   HG23  VAL  29          2HG2      VAL  29   2.988  -4.707  11.142
  256    H    THR  30           H        THR  30   1.050  -7.813  10.772
  257    HA   THR  30           HA       THR  30   1.981  -7.584  13.618
  258    HB   THR  30           HB       THR  30   1.087 -10.183  12.296
  259    HG1  THR  30           HG1      THR  30  -0.696  -8.861  12.282
  260   HG21  THR  30          3HG2      THR  30   2.467 -10.234  14.437
  261   HG22  THR  30          1HG2      THR  30   0.855 -10.925  14.626
  262   HG23  THR  30          2HG2      THR  30   1.194  -9.299  15.213
  263    H    ILE  31           H        ILE  31   4.073  -7.743  13.850
  264    HA   ILE  31           HA       ILE  31   5.748  -9.212  11.858
  265    HB   ILE  31           HB       ILE  31   6.372  -6.699  13.416
  266   HG12  ILE  31          1HG1      ILE  31   4.884  -6.269  11.502
  267   HG13  ILE  31          2HG1      ILE  31   6.487  -5.635  11.168
  268   HG21  ILE  31          1HG2      ILE  31   8.100  -8.329  11.503
  269   HG22  ILE  31          2HG2      ILE  31   8.432  -8.005  13.212
  270   HG23  ILE  31          3HG2      ILE  31   8.480  -6.695  12.053
  271   HD11  ILE  31          3HD1      ILE  31   6.011  -6.665   9.154
  272   HD12  ILE  31          1HD1      ILE  31   5.034  -7.918   9.899
  273   HD13  ILE  31          2HD1      ILE  31   6.793  -8.019   9.960
  274    H    ARG  32           H        ARG  32   7.607 -10.210  12.669
  275    HA   ARG  32           HA       ARG  32   7.619 -10.808  15.596
  276    HB2  ARG  32           1HB      ARG  32   6.573 -12.627  14.093
  277    HB3  ARG  32           2HB      ARG  32   8.174 -12.862  13.410
  278    HG2  ARG  32           1HG      ARG  32   8.242 -14.467  15.153
  279    HG3  ARG  32           2HG      ARG  32   8.894 -13.080  16.016
  280    HD2  ARG  32           1HD      ARG  32   6.543 -12.558  16.818
  281    HD3  ARG  32           2HD      ARG  32   6.013 -14.059  16.066
  282    HE   ARG  32           HE       ARG  32   8.203 -14.615  17.758
  283   HH11  ARG  32          1HH2      ARG  32   4.886 -13.591  17.916
  284   HH12  ARG  32          2HH2      ARG  32   4.616 -14.270  19.488
  285   HH21  ARG  32          1HH1      ARG  32   7.846 -15.486  19.807
  286   HH22  ARG  32          2HH1      ARG  32   6.289 -15.340  20.554
  287    H    ALA  33           H        ALA  33   9.464 -10.022  16.356
  288    HA   ALA  33           HA       ALA  33  12.001 -10.906  15.375
  289    HB1  ALA  33           3HB      ALA  33  11.433  -7.943  15.001
  290    HB2  ALA  33           1HB      ALA  33  11.440  -9.116  13.689
  291    HB3  ALA  33           2HB      ALA  33  12.904  -8.813  14.600
  292    H    TYR  34           H        TYR  34  13.780  -9.457  16.490
  293    HA   TYR  34           HA       TYR  34  13.397  -9.811  19.284
  294    HB2  TYR  34           1HB      TYR  34  15.599  -8.567  17.617
  295    HB3  TYR  34           2HB      TYR  34  15.703  -8.599  19.366
  296    HD1  TYR  34           HD1      TYR  34  15.871 -10.761  20.594
  297    HD2  TYR  34           HD2      TYR  34  15.797 -10.650  16.283
  298    HE1  TYR  34           HE1      TYR  34  16.663 -13.107  20.512
  299    HE2  TYR  34           HE2      TYR  34  16.594 -12.999  16.221
  300    HH   TYR  34           HH       TYR  34  17.194 -14.768  17.404
  301    HA   PRO  35           HA       PRO  35  11.755  -5.766  20.297
  302    HB2  PRO  35           1HB      PRO  35  12.431  -5.469  22.938
  303    HB3  PRO  35           2HB      PRO  35  11.195  -6.622  22.388
  304    HG2  PRO  35           1HG      PRO  35  14.074  -7.151  23.103
  305    HG3  PRO  35           2HG      PRO  35  12.623  -8.095  23.510
  306    HD2  PRO  35           1HD      PRO  35  14.296  -8.787  21.408
  307    HD3  PRO  35           2HD      PRO  35  12.554  -9.150  21.416
  308    H    GLU  36           H        GLU  36  15.154  -6.404  20.738
  309    HA   GLU  36           HA       GLU  36  16.063  -3.787  21.359
  310    HB2  GLU  36           1HB      GLU  36  18.269  -4.632  20.967
  311    HB3  GLU  36           2HB      GLU  36  17.336  -6.028  21.504
  312    HG2  GLU  36           1HG      GLU  36  16.956  -6.550  18.989
  313    HG3  GLU  36           2HG      GLU  36  18.207  -5.355  18.667
  314    H    ILE  37           H        ILE  37  15.521  -5.411  18.257
  315    HA   ILE  37           HA       ILE  37  16.410  -3.058  16.724
  316    HB   ILE  37           HB       ILE  37  15.878  -4.385  14.717
  317   HG12  ILE  37          1HG1      ILE  37  14.953  -6.490  16.697
  318   HG13  ILE  37          2HG1      ILE  37  13.921  -5.624  15.585
  319   HG21  ILE  37          1HG2      ILE  37  17.409  -6.246  16.597
  320   HG22  ILE  37          2HG2      ILE  37  18.109  -4.703  16.111
  321   HG23  ILE  37          3HG2      ILE  37  17.714  -5.917  14.900
  322   HD11  ILE  37          3HD1      ILE  37  14.370  -7.059  13.935
  323   HD12  ILE  37          1HD1      ILE  37  15.181  -8.071  15.114
  324   HD13  ILE  37          2HD1      ILE  37  16.100  -6.946  14.117
  325    H    LEU  38           H        LEU  38  13.393  -4.590  17.698
  326    HA   LEU  38           HA       LEU  38  11.719  -2.932  16.037
  327    HB2  LEU  38           1HB      LEU  38  11.209  -4.675  18.426
  328    HB3  LEU  38           2HB      LEU  38   9.910  -3.712  17.780
  329    HG   LEU  38           HG       LEU  38  11.496  -5.697  16.061
  330   HD11  LEU  38          1HD1      LEU  38  10.472  -6.989  17.851
  331   HD12  LEU  38          2HD1      LEU  38   9.536  -7.253  16.381
  332   HD13  LEU  38          3HD1      LEU  38   8.928  -6.166  17.626
  333   HD21  LEU  38          3HD2      LEU  38   8.762  -4.377  15.722
  334   HD22  LEU  38          1HD2      LEU  38   9.427  -5.581  14.624
  335   HD23  LEU  38          2HD2      LEU  38  10.195  -4.015  14.771
  336    H    ASN  39           H        ASN  39  13.058  -2.652  19.261
  337    HA   ASN  39           HA       ASN  39  11.534  -0.273  19.956
  338    HB2  ASN  39           1HB      ASN  39  12.332  -1.880  21.673
  339    HB3  ASN  39           2HB      ASN  39  13.999  -1.479  21.272
  340   HD21  ASN  39          2HD2      ASN  39  14.554  -0.474  23.287
  341   HD22  ASN  39          1HD2      ASN  39  13.808   0.948  23.842
  342    H    ASN  40           H        ASN  40  14.304  -0.954  18.104
  343    HA   ASN  40           HA       ASN  40  15.403   1.810  18.333
  344    HB2  ASN  40           1HB      ASN  40  16.939  -0.153  18.654
  345    HB3  ASN  40           2HB      ASN  40  16.627  -0.631  16.992
  346   HD21  ASN  40          2HD2      ASN  40  18.728  -0.186  16.130
  347   HD22  ASN  40          1HD2      ASN  40  19.397   1.375  16.090
  348    H    LEU  41           H        LEU  41  14.041  -0.508  16.049
  349    HA   LEU  41           HA       LEU  41  14.531   0.978  13.696
  350    HB2  LEU  41           1HB      LEU  41  14.046  -1.440  13.691
  351    HB3  LEU  41           2HB      LEU  41  12.410  -1.131  14.260
  352    HG   LEU  41           HG       LEU  41  11.919   0.080  12.129
  353   HD11  LEU  41          1HD1      LEU  41  13.683  -0.241  10.237
  354   HD12  LEU  41          2HD1      LEU  41  14.836  -0.501  11.549
  355   HD13  LEU  41          3HD1      LEU  41  13.955   1.020  11.428
  356   HD21  LEU  41          3HD2      LEU  41  11.344  -2.246  12.096
  357   HD22  LEU  41          1HD2      LEU  41  13.021  -2.747  11.897
  358   HD23  LEU  41          2HD2      LEU  41  12.183  -1.965  10.573
  359    H    THR  42           H        THR  42  13.222   2.378  12.570
  360    HA   THR  42           HA       THR  42  10.852   3.499  14.022
  361    HB   THR  42           HB       THR  42  12.592   5.161  14.065
  362    HG1  THR  42           HG1      THR  42  10.736   6.130  13.539
  363   HG21  THR  42          3HG2      THR  42  12.928   4.602  11.096
  364   HG22  THR  42          1HG2      THR  42  14.094   4.235  12.370
  365   HG23  THR  42          2HG2      THR  42  13.715   5.909  11.976
  366    H    LYS  43           H        LYS  43   9.296   4.577  12.594
  367    HA   LYS  43           HA       LYS  43   8.374   2.754  10.613
  368    HB2  LYS  43           1HB      LYS  43   7.418   5.436  11.605
  369    HB3  LYS  43           2HB      LYS  43   6.641   4.681  10.216
  370    HG2  LYS  43           1HG      LYS  43   5.424   4.140  12.294
  371    HG3  LYS  43           2HG      LYS  43   6.114   2.681  11.588
  372    HD2  LYS  43           1HD      LYS  43   7.936   2.661  13.210
  373    HD3  LYS  43           2HD      LYS  43   7.485   4.256  13.818
  374    HE2  LYS  43           1HE      LYS  43   5.346   3.323  14.641
  375    HE3  LYS  43           2HE      LYS  43   5.794   1.733  14.021
  376    HZ1  LYS  43           3HZ      LYS  43   6.885   1.374  15.894
  377    HZ2  LYS  43           1HZ      LYS  43   6.521   2.933  16.456
  378    HZ3  LYS  43           2HZ      LYS  43   7.928   2.669  15.542
  379    H    GLU  44           H        GLU  44  10.060   5.831  10.481
  380    HA   GLU  44           HA       GLU  44   9.705   6.464   7.759
  381    HB2  GLU  44           1HB      GLU  44  12.085   7.087   9.551
  382    HB3  GLU  44           2HB      GLU  44  11.698   7.904   8.033
  383    HG2  GLU  44           1HG      GLU  44   9.524   8.644   8.996
  384    HG3  GLU  44           2HG      GLU  44   9.934   7.853  10.517
  385    H    GLN  45           H        GLN  45  11.648   4.025   9.237
  386    HA   GLN  45           HA       GLN  45  13.467   3.700   6.973
  387    HB2  GLN  45           1HB      GLN  45  13.100   2.377   9.640
  388    HB3  GLN  45           2HB      GLN  45  13.969   1.470   8.405
  389    HG2  GLN  45           1HG      GLN  45  15.548   3.396   8.147
  390    HG3  GLN  45           2HG      GLN  45  14.711   4.241   9.443
  391   HE21  GLN  45          2HE2      GLN  45  16.747   1.413   8.713
  392   HE22  GLN  45          1HE2      GLN  45  17.223   1.136  10.319
  393    H    ILE  46           H        ILE  46  10.315   2.661   7.741
  394    HA   ILE  46           HA       ILE  46  10.457   0.177   6.201
  395    HB   ILE  46           HB       ILE  46   7.906   1.509   7.211
  396   HG12  ILE  46          1HG1      ILE  46   9.439   1.479   9.112
  397   HG13  ILE  46          2HG1      ILE  46   8.232   0.229   9.342
  398   HG21  ILE  46          1HG2      ILE  46   8.696  -1.415   6.850
  399   HG22  ILE  46          2HG2      ILE  46   7.710  -0.492   5.748
  400   HG23  ILE  46          3HG2      ILE  46   7.122  -0.823   7.369
  401   HD11  ILE  46          3HD1      ILE  46  10.214  -0.823   9.936
  402   HD12  ILE  46          1HD1      ILE  46  11.160  -0.013   8.696
  403   HD13  ILE  46          2HD1      ILE  46  10.075  -1.328   8.263
  404    H    SER  47           H        SER  47  10.096   0.037   4.084
  405    HA   SER  47           HA       SER  47   9.079   2.384   2.562
  406    HB2  SER  47           1HB      SER  47  11.273   1.298   1.982
  407    HB3  SER  47           2HB      SER  47  10.382  -0.129   1.492
  408    HG   SER  47           HG       SER  47   9.162   1.346   0.100
  409    H    LEU  48           H        LEU  48   6.918   2.339   2.357
  410    HA   LEU  48           HA       LEU  48   5.582  -0.182   1.451
  411    HB2  LEU  48           1HB      LEU  48   4.667   1.802   3.552
  412    HB3  LEU  48           2HB      LEU  48   3.564   0.640   2.817
  413    HG   LEU  48           HG       LEU  48   6.137  -0.376   4.075
  414   HD11  LEU  48          1HD1      LEU  48   5.175   1.011   5.838
  415   HD12  LEU  48          2HD1      LEU  48   4.922  -0.685   6.243
  416   HD13  LEU  48          3HD1      LEU  48   3.592   0.275   5.590
  417   HD21  LEU  48          3HD2      LEU  48   4.694  -1.941   2.762
  418   HD22  LEU  48          1HD2      LEU  48   3.362  -1.597   3.859
  419   HD23  LEU  48          2HD2      LEU  48   4.810  -2.415   4.449
  420    H    TRP  49           H        TRP  49   4.699   0.053  -0.426
  421    HA   TRP  49           HA       TRP  49   3.111   2.372  -1.084
  422    HB2  TRP  49           1HB      TRP  49   4.360   3.156  -2.976
  423    HB3  TRP  49           2HB      TRP  49   5.542   2.984  -1.682
  424    HD1  TRP  49           HD1      TRP  49   4.713   1.727  -5.108
  425    HE1  TRP  49           HE1      TRP  49   6.504   0.064  -5.893
  426    HE3  TRP  49           HE3      TRP  49   7.187   1.022  -0.715
  427    HZ2  TRP  49           HZ2      TRP  49   8.690  -1.408  -4.783
  428    HZ3  TRP  49           HZ3      TRP  49   9.116  -0.533  -0.599
  429    HH2  TRP  49           HH2      TRP  49   9.869  -1.742  -2.625
  430    H    ILE  50           H        ILE  50   2.520   2.048  -3.597
  431    HA   ILE  50           HA       ILE  50   2.069  -0.832  -4.176
  432    HB   ILE  50           HB       ILE  50  -0.244   1.165  -4.445
  433   HG12  ILE  50          1HG1      ILE  50   0.386  -0.538  -2.013
  434   HG13  ILE  50          2HG1      ILE  50   0.449   1.211  -2.060
  435   HG21  ILE  50          1HG2      ILE  50  -1.599  -0.904  -4.441
  436   HG22  ILE  50          2HG2      ILE  50  -0.171  -1.870  -4.090
  437   HG23  ILE  50          3HG2      ILE  50  -0.326  -1.058  -5.643
  438   HD11  ILE  50          3HD1      ILE  50  -2.025  -0.490  -2.416
  439   HD12  ILE  50          1HD1      ILE  50  -1.967   1.267  -2.614
  440   HD13  ILE  50          2HD1      ILE  50  -1.624   0.529  -1.043
  441    H    ASP  51           H        ASP  51   1.685  -1.287  -6.344
  442    HA   ASP  51           HA       ASP  51   2.559   0.829  -8.266
  443    HB2  ASP  51           1HB      ASP  51   3.231  -1.063  -9.691
  444    HB3  ASP  51           2HB      ASP  51   3.998  -1.164  -8.115
  445    H    ALA  52           H        ALA  52   0.816   1.800  -9.136
  446    HA   ALA  52           HA       ALA  52  -1.662   0.316  -9.717
  447    HB1  ALA  52           3HB      ALA  52  -0.814   3.223  -9.792
  448    HB2  ALA  52           1HB      ALA  52  -2.195   2.485  -8.969
  449    HB3  ALA  52           2HB      ALA  52  -2.244   2.719 -10.708
  450    H    THR  53           H        THR  53   1.255   0.625 -11.271
  451    HA   THR  53           HA       THR  53   0.476   1.125 -13.965
  452    HB   THR  53           HB       THR  53   2.834   1.162 -13.047
  453    HG1  THR  53           HG1      THR  53   1.873   0.320 -15.393
  454   HG21  THR  53          3HG2      THR  53   4.088  -0.832 -12.710
  455   HG22  THR  53          1HG2      THR  53   2.928  -1.794 -13.622
  456   HG23  THR  53          2HG2      THR  53   2.528  -1.250 -11.999
  457    H    GLY  54           H        GLY  54   0.384  -0.457 -15.695
  458    HA2  GLY  54           1HA      GLY  54  -0.458  -2.361 -16.699
  459    HA3  GLY  54           2HA      GLY  54   0.083  -3.262 -15.288
  460    H    LYS  55           H        LYS  55  -1.460  -2.064 -13.302
  461    HA   LYS  55           HA       LYS  55  -3.845  -3.487 -13.386
  462    HB2  LYS  55           1HB      LYS  55  -2.864  -1.173 -11.693
  463    HB3  LYS  55           2HB      LYS  55  -4.530  -1.693 -11.509
  464    HG2  LYS  55           1HG      LYS  55  -3.235  -2.850  -9.829
  465    HG3  LYS  55           2HG      LYS  55  -3.657  -4.037 -11.058
  466    HD2  LYS  55           1HD      LYS  55  -1.393  -3.758 -12.080
  467    HD3  LYS  55           2HD      LYS  55  -0.987  -2.586 -10.834
  468    HE2  LYS  55           1HE      LYS  55  -1.274  -4.315  -9.100
  469    HE3  LYS  55           2HE      LYS  55  -1.745  -5.492 -10.326
  470    HZ1  LYS  55           3HZ      LYS  55   0.361  -5.777 -10.982
  471    HZ2  LYS  55           1HZ      LYS  55   0.760  -5.139  -9.462
  472    HZ3  LYS  55           2HZ      LYS  55   0.759  -4.132 -10.831
  473    H    ALA  56           H        ALA  56  -5.955  -2.947 -13.772
  474    HA   ALA  56           HA       ALA  56  -6.453  -0.530 -15.459
  475    HB1  ALA  56           3HB      ALA  56  -7.864  -3.232 -15.442
  476    HB2  ALA  56           1HB      ALA  56  -6.685  -2.704 -16.642
  477    HB3  ALA  56           2HB      ALA  56  -8.233  -1.872 -16.506
  478    H    VAL  57           H        VAL  57  -8.846   0.010 -15.415
  479    HA   VAL  57           HA       VAL  57  -9.518   0.932 -12.848
  480    HB   VAL  57           HB       VAL  57 -11.427   0.636 -15.213
  481   HG11  VAL  57          1HG1      VAL  57 -11.268   2.673 -12.959
  482   HG12  VAL  57          2HG1      VAL  57 -12.429   1.347 -13.021
  483   HG13  VAL  57          3HG1      VAL  57 -12.495   2.635 -14.221
  484   HG21  VAL  57          3HG2      VAL  57  -9.363   1.724 -16.019
  485   HG22  VAL  57          1HG2      VAL  57  -9.376   2.815 -14.637
  486   HG23  VAL  57          2HG2      VAL  57 -10.632   2.933 -15.868
  487    H    GLY  58           H        GLY  58 -11.047   0.265 -11.396
  488    HA2  GLY  58           1HA      GLY  58 -13.000  -1.184 -10.871
  489    HA3  GLY  58           2HA      GLY  58 -12.155  -2.507 -11.658
  490    H    GLU  59           H        GLU  59 -12.866  -3.144  -9.279
  491    HA   GLU  59           HA       GLU  59 -10.750  -2.483  -7.332
  492    HB2  GLU  59           1HB      GLU  59 -12.244  -3.645  -5.705
  493    HB3  GLU  59           2HB      GLU  59 -13.030  -2.289  -6.516
  494    HG2  GLU  59           1HG      GLU  59 -14.116  -3.868  -8.105
  495    HG3  GLU  59           2HG      GLU  59 -13.366  -5.220  -7.272
  496    H    HIS  60           H        HIS  60  -9.149  -3.776  -6.842
  497    HA   HIS  60           HA       HIS  60  -9.349  -6.678  -7.193
  498    HB2  HIS  60           1HB      HIS  60  -8.482  -5.753  -9.366
  499    HB3  HIS  60           2HB      HIS  60  -7.116  -5.060  -8.496
  500    HD1  HIS  60           HD1      HIS  60  -5.107  -6.536  -8.708
  501    HD2  HIS  60           HD2      HIS  60  -8.625  -8.765  -8.533
  502    HE1  HIS  60           HE1      HIS  60  -4.416  -8.974  -8.769
  503    HE2  HIS  60           HE2      HIS  60  -6.551 -10.345  -8.663
  504    H    THR  61           H        THR  61  -7.862  -7.821  -6.000
  505    HA   THR  61           HA       THR  61  -6.745  -6.394  -3.691
  506    HB   THR  61           HB       THR  61  -6.867  -9.392  -4.207
  507    HG1  THR  61           HG1      THR  61  -8.532  -8.620  -2.336
  508   HG21  THR  61          3HG2      THR  61  -6.401  -7.755  -1.692
  509   HG22  THR  61          1HG2      THR  61  -5.202  -8.769  -2.492
  510   HG23  THR  61          2HG2      THR  61  -6.608  -9.501  -1.724
  511    H    VAL  62           H        VAL  62  -4.560  -6.251  -3.258
  512    HA   VAL  62           HA       VAL  62  -2.619  -7.633  -5.039
  513    HB   VAL  62           HB       VAL  62  -1.410  -5.455  -5.464
  514   HG11  VAL  62          1HG1      VAL  62  -4.272  -5.484  -6.530
  515   HG12  VAL  62          2HG1      VAL  62  -2.953  -6.455  -7.179
  516   HG13  VAL  62          3HG1      VAL  62  -2.887  -4.698  -7.271
  517   HG21  VAL  62          3HG2      VAL  62  -2.641  -3.330  -5.133
  518   HG22  VAL  62          1HG2      VAL  62  -2.430  -4.150  -3.587
  519   HG23  VAL  62          2HG2      VAL  62  -3.988  -4.209  -4.413
  520    H    LYS  63           H        LYS  63  -0.489  -7.637  -4.292
  521    HA   LYS  63           HA       LYS  63  -0.293  -7.573  -1.350
  522    HB2  LYS  63           1HB      LYS  63   1.576  -8.695  -3.470
  523    HB3  LYS  63           2HB      LYS  63   1.810  -8.832  -1.727
  524    HG2  LYS  63           1HG      LYS  63  -0.348 -10.051  -1.529
  525    HG3  LYS  63           2HG      LYS  63  -0.573  -9.929  -3.276
  526    HD2  LYS  63           1HD      LYS  63   1.512 -11.234  -3.633
  527    HD3  LYS  63           2HD      LYS  63   1.736 -11.354  -1.889
  528    HE2  LYS  63           1HE      LYS  63  -0.402 -12.588  -1.693
  529    HE3  LYS  63           2HE      LYS  63  -0.639 -12.457  -3.438
  530    HZ1  LYS  63           3HZ      LYS  63   1.370 -13.700  -3.798
  531    HZ2  LYS  63           1HZ      LYS  63   0.338 -14.585  -2.784
  532    HZ3  LYS  63           2HZ      LYS  63   1.679 -13.771  -2.129
  533    H    ILE  64           H        ILE  64   1.316  -6.507  -0.259
  534    HA   ILE  64           HA       ILE  64   2.323  -4.031  -1.552
  535    HB   ILE  64           HB       ILE  64   2.540  -4.735   1.414
  536   HG12  ILE  64          1HG1      ILE  64   0.174  -5.049   0.892
  537   HG13  ILE  64          2HG1      ILE  64   0.351  -3.504   1.709
  538   HG21  ILE  64          1HG2      ILE  64   3.803  -2.760   0.589
  539   HG22  ILE  64          2HG2      ILE  64   2.493  -2.267   1.661
  540   HG23  ILE  64          3HG2      ILE  64   2.320  -2.078  -0.083
  541   HD11  ILE  64          3HD1      ILE  64   0.467  -2.506  -0.712
  542   HD12  ILE  64          1HD1      ILE  64  -1.073  -3.019  -0.071
  543   HD13  ILE  64          2HD1      ILE  64  -0.216  -4.048  -1.202
  544    H    TYR  65           H        TYR  65   4.380  -4.061  -2.319
  545    HA   TYR  65           HA       TYR  65   6.238  -6.196  -1.739
  546    HB2  TYR  65           1HB      TYR  65   6.709  -3.534  -3.146
  547    HB3  TYR  65           2HB      TYR  65   7.826  -4.896  -3.134
  548    HD1  TYR  65           HD1      TYR  65   4.548  -3.670  -4.392
  549    HD2  TYR  65           HD2      TYR  65   7.388  -6.918  -4.493
  550    HE1  TYR  65           HE1      TYR  65   3.383  -4.646  -6.348
  551    HE2  TYR  65           HE2      TYR  65   6.203  -7.877  -6.452
  552    HH   TYR  65           HH       TYR  65   4.376  -7.748  -7.736
  553    H    TRP  66           H        TRP  66   5.844  -5.548   0.704
  554    HA   TRP  66           HA       TRP  66   7.148  -3.340   1.849
  555    HB2  TRP  66           1HB      TRP  66   6.416  -4.253   3.859
  556    HB3  TRP  66           2HB      TRP  66   5.523  -5.341   2.813
  557    HD1  TRP  66           HD1      TRP  66   7.653  -5.515   5.695
  558    HE1  TRP  66           HE1      TRP  66   8.812  -7.800   5.939
  559    HE3  TRP  66           HE3      TRP  66   6.851  -7.412   1.022
  560    HZ2  TRP  66           HZ2      TRP  66   9.335 -10.124   4.364
  561    HZ3  TRP  66           HZ3      TRP  66   7.689  -9.665   0.419
  562    HH2  TRP  66           HH2      TRP  66   8.928 -11.026   2.084
  563    H    GLN  67           H        GLN  67   9.179  -3.063   2.762
  564    HA   GLN  67           HA       GLN  67  11.258  -5.149   2.321
  565    HB2  GLN  67           1HB      GLN  67  11.497  -2.254   1.438
  566    HB3  GLN  67           2HB      GLN  67  12.817  -3.414   1.455
  567    HG2  GLN  67           1HG      GLN  67  11.561  -4.851  -0.142
  568    HG3  GLN  67           2HG      GLN  67  10.268  -3.658  -0.186
  569   HE21  GLN  67          2HE2      GLN  67  11.199  -4.006  -2.638
  570   HE22  GLN  67          1HE2      GLN  67  12.311  -2.814  -3.108
  571    H    LEU  68           H        LEU  68  12.526  -5.379   3.986
  572    HA   LEU  68           HA       LEU  68  12.693  -3.266   6.077
  573    HB2  LEU  68           1HB      LEU  68  12.685  -6.242   6.603
  574    HB3  LEU  68           2HB      LEU  68  12.606  -4.950   7.802
  575    HG   LEU  68           HG       LEU  68  10.436  -5.442   5.692
  576   HD11  LEU  68          1HD1      LEU  68  10.364  -6.108   8.635
  577   HD12  LEU  68          2HD1      LEU  68  10.620  -7.312   7.379
  578   HD13  LEU  68          3HD1      LEU  68   9.099  -6.429   7.466
  579   HD21  LEU  68          3HD2      LEU  68   9.065  -3.931   7.141
  580   HD22  LEU  68          1HD2      LEU  68  10.487  -3.094   6.548
  581   HD23  LEU  68          2HD2      LEU  68  10.465  -3.702   8.191
  582    HA   PRO  69           HA       PRO  69  17.068  -4.087   5.121
  583    HB2  PRO  69           1HB      PRO  69  18.221  -1.906   6.221
  584    HB3  PRO  69           2HB      PRO  69  17.133  -1.739   4.822
  585    HG2  PRO  69           1HG      PRO  69  16.503  -1.312   7.745
  586    HG3  PRO  69           2HG      PRO  69  16.116  -0.268   6.358
  587    HD2  PRO  69           1HD      PRO  69  14.300  -2.087   7.442
  588    HD3  PRO  69           2HD      PRO  69  14.261  -1.557   5.738
  589    H    ALA  70           H        ALA  70  16.320  -5.883   6.876
  590    HA   ALA  70           HA       ALA  70  18.531  -6.127   8.717
  591    HB1  ALA  70           3HB      ALA  70  15.761  -5.824   9.924
  592    HB2  ALA  70           1HB      ALA  70  16.994  -4.567   9.956
  593    HB3  ALA  70           2HB      ALA  70  17.272  -6.086  10.800
  594    H    GLY  71           H        GLY  71  16.971  -7.862  10.503
  595    HA2  GLY  71           1HA      GLY  71  16.654 -10.283   8.769
  596    HA3  GLY  71           2HA      GLY  71  17.253 -10.274  10.426
  597    H    ILE  72           H        ILE  72  14.456  -8.689   8.925
  598    HA   ILE  72           HA       ILE  72  12.685  -9.843  11.022
  599    HB   ILE  72           HB       ILE  72  12.340  -7.407   9.236
  600   HG12  ILE  72          1HG1      ILE  72  12.777  -7.581  12.246
  601   HG13  ILE  72          2HG1      ILE  72  14.078  -7.241  11.112
  602   HG21  ILE  72          1HG2      ILE  72  10.568  -8.617  11.432
  603   HG22  ILE  72          2HG2      ILE  72  10.118  -8.344   9.750
  604   HG23  ILE  72          3HG2      ILE  72  10.364  -6.988  10.821
  605   HD11  ILE  72          3HD1      ILE  72  13.202  -5.171  12.075
  606   HD12  ILE  72          1HD1      ILE  72  11.586  -5.548  11.482
  607   HD13  ILE  72          2HD1      ILE  72  12.890  -5.228  10.341
  608    H    GLU  73           H        GLU  73  10.920 -10.966  10.501
  609    HA   GLU  73           HA       GLU  73  10.465 -11.715   7.635
  610    HB2  GLU  73           1HB      GLU  73   9.897 -13.268  10.189
  611    HB3  GLU  73           2HB      GLU  73   9.509 -13.813   8.555
  612    HG2  GLU  73           1HG      GLU  73  11.913 -13.727   7.949
  613    HG3  GLU  73           2HG      GLU  73  12.308 -13.186   9.579
  614    H    MET  74           H        MET  74   8.320 -11.998   6.949
  615    HA   MET  74           HA       MET  74   6.398 -10.158   8.263
  616    HB2  MET  74           1HB      MET  74   6.941 -10.058   5.757
  617    HB3  MET  74           2HB      MET  74   6.042 -11.561   5.585
  618    HG2  MET  74           1HG      MET  74   4.154 -10.140   6.965
  619    HG3  MET  74           2HG      MET  74   4.998  -8.786   6.222
  620    HE1  MET  74           3HE      MET  74   4.635  -9.321   2.471
  621    HE2  MET  74           1HE      MET  74   6.004  -9.732   3.511
  622    HE3  MET  74           2HE      MET  74   5.094  -8.248   3.789
  623    H    VAL  75           H        VAL  75   5.005 -11.025   9.654
  624    HA   VAL  75           HA       VAL  75   4.548 -13.800  10.025
  625    HB   VAL  75           HB       VAL  75   2.751 -11.473  10.791
  626   HG11  VAL  75          1HG1      VAL  75   2.780 -14.337  11.796
  627   HG12  VAL  75          2HG1      VAL  75   1.461 -13.563  10.919
  628   HG13  VAL  75          3HG1      VAL  75   1.861 -13.036  12.548
  629   HG21  VAL  75          3HG2      VAL  75   4.792 -12.979  12.472
  630   HG22  VAL  75          1HG2      VAL  75   3.884 -11.554  12.958
  631   HG23  VAL  75          2HG2      VAL  75   5.118 -11.435  11.716
  632    H    SER  76           H        SER  76   2.027 -11.514   8.953
  633    HA   SER  76           HA       SER  76   1.322 -12.870   6.557
  634    HB2  SER  76           1HB      SER  76   0.601 -14.637   8.144
  635    HB3  SER  76           2HB      SER  76  -0.355 -13.441   9.030
  636    HG   SER  76           HG       SER  76  -0.644 -14.260   6.309
  637    H    ILE  77           H        ILE  77  -0.569 -11.943   5.598
  638    HA   ILE  77           HA       ILE  77  -1.973 -10.204   5.093
  639    HB   ILE  77           HB       ILE  77  -3.702  -9.916   6.674
  640   HG12  ILE  77          1HG1      ILE  77  -1.821  -9.910   9.074
  641   HG13  ILE  77          2HG1      ILE  77  -2.287  -8.434   8.255
  642   HG21  ILE  77          1HG2      ILE  77  -2.328 -12.122   8.208
  643   HG22  ILE  77          2HG2      ILE  77  -3.044 -12.359   6.618
  644   HG23  ILE  77          3HG2      ILE  77  -4.048 -11.848   7.972
  645   HD11  ILE  77          3HD1      ILE  77  -4.657  -9.005   8.745
  646   HD12  ILE  77          1HD1      ILE  77  -3.669  -8.776  10.184
  647   HD13  ILE  77          2HD1      ILE  77  -4.087 -10.404   9.658
  648    HA   PRO  78           HA       PRO  78  -3.480  -8.344   5.624
  649    HB2  PRO  78           1HB      PRO  78  -4.202  -5.819   5.711
  650    HB3  PRO  78           2HB      PRO  78  -3.758  -6.658   7.217
  651    HG2  PRO  78           1HG      PRO  78  -2.225  -4.587   5.722
  652    HG3  PRO  78           2HG      PRO  78  -2.149  -5.048   7.427
  653    HD2  PRO  78           1HD      PRO  78  -0.400  -5.997   5.219
  654    HD3  PRO  78           2HD      PRO  78  -0.209  -6.303   6.961
  655    H    ASP  79           H        ASP  79  -4.839  -7.806   3.939
  656    HA   ASP  79           HA       ASP  79  -3.445  -7.187   1.408
  657    HB2  ASP  79           1HB      ASP  79  -5.803  -8.132   0.563
  658    HB3  ASP  79           2HB      ASP  79  -4.547  -9.242   1.047
  659    H    VAL  80           H        VAL  80  -4.498  -5.833  -0.067
  660    HA   VAL  80           HA       VAL  80  -6.237  -3.741   1.181
  661    HB   VAL  80           HB       VAL  80  -5.090  -2.150  -0.332
  662   HG11  VAL  80          1HG1      VAL  80  -3.174  -3.680   1.472
  663   HG12  VAL  80          2HG1      VAL  80  -4.331  -2.473   2.035
  664   HG13  VAL  80          3HG1      VAL  80  -3.013  -1.994   0.976
  665   HG21  VAL  80          3HG2      VAL  80  -3.205  -4.461  -0.902
  666   HG22  VAL  80          1HG2      VAL  80  -3.000  -2.804  -1.464
  667   HG23  VAL  80          2HG2      VAL  80  -4.332  -3.766  -2.057
  668    H    THR  81           H        THR  81  -7.973  -3.123   0.151
  669    HA   THR  81           HA       THR  81  -8.453  -3.924  -2.666
  670    HB   THR  81           HB       THR  81 -10.521  -4.459  -0.478
  671    HG1  THR  81           HG1      THR  81  -9.354  -6.125  -0.038
  672   HG21  THR  81          3HG2      THR  81 -11.355  -4.157  -2.818
  673   HG22  THR  81          1HG2      THR  81 -11.572  -5.816  -2.257
  674   HG23  THR  81          2HG2      THR  81 -10.250  -5.426  -3.360
  675    H    TYR  82           H        TYR  82  -9.234  -2.259  -3.746
  676    HA   TYR  82           HA       TYR  82 -11.020  -0.280  -2.464
  677    HB2  TYR  82           1HB      TYR  82  -9.634   1.599  -3.362
  678    HB3  TYR  82           2HB      TYR  82  -8.842   0.709  -2.073
  679    HD1  TYR  82           HD2      TYR  82  -8.899   1.262  -5.766
  680    HD2  TYR  82           HD1      TYR  82  -6.814  -0.633  -2.498
  681    HE1  TYR  82           HE2      TYR  82  -6.971   0.782  -7.252
  682    HE2  TYR  82           HE1      TYR  82  -4.898  -1.099  -4.004
  683    HH   TYR  82           HH       TYR  82  -5.103  -0.686  -7.422
  684    H    THR  83           H        THR  83 -11.343   1.511  -4.338
  685    HA   THR  83           HA       THR  83 -12.101  -0.001  -6.824
  686    HB   THR  83           HB       THR  83 -13.779   2.155  -5.483
  687    HG1  THR  83           HG1      THR  83 -14.963  -0.184  -5.512
  688   HG21  THR  83          3HG2      THR  83 -15.524   1.359  -7.054
  689   HG22  THR  83          1HG2      THR  83 -14.379   0.213  -7.746
  690   HG23  THR  83          2HG2      THR  83 -14.120   1.944  -7.940
  691    H    LEU  84           H        LEU  84 -10.905   0.756  -8.421
  692    HA   LEU  84           HA       LEU  84 -10.036   3.558  -8.479
  693    HB2  LEU  84           1HB      LEU  84  -8.456   1.677  -9.010
  694    HB3  LEU  84           2HB      LEU  84  -9.399   1.317 -10.432
  695    HG   LEU  84           HG       LEU  84  -8.912   3.596 -11.324
  696   HD11  LEU  84          1HD1      LEU  84  -7.543   3.945  -8.639
  697   HD12  LEU  84          2HD1      LEU  84  -8.554   5.076  -9.539
  698   HD13  LEU  84          3HD1      LEU  84  -6.896   4.808 -10.036
  699   HD21  LEU  84          3HD2      LEU  84  -7.399   1.871 -12.060
  700   HD22  LEU  84          1HD2      LEU  84  -6.515   1.884 -10.530
  701   HD23  LEU  84          2HD2      LEU  84  -6.380   3.248 -11.634
  702    H    LYS  85           H        LYS  85 -10.825   5.066  -9.858
  703    HA   LYS  85           HA       LYS  85 -12.772   4.282 -11.983
  704    HB2  LYS  85           1HB      LYS  85 -13.139   6.465  -9.900
  705    HB3  LYS  85           2HB      LYS  85 -14.175   6.232 -11.311
  706    HG2  LYS  85           1HG      LYS  85 -14.733   3.940 -10.522
  707    HG3  LYS  85           2HG      LYS  85 -13.720   4.189  -9.098
  708    HD2  LYS  85           1HD      LYS  85 -15.168   6.085  -8.400
  709    HD3  LYS  85           2HD      LYS  85 -16.182   5.831  -9.823
  710    HE2  LYS  85           1HE      LYS  85 -15.720   3.800  -7.608
  711    HE3  LYS  85           2HE      LYS  85 -17.186   4.750  -7.834
  712    HZ1  LYS  85           3HZ      LYS  85 -16.823   3.644 -10.262
  713    HZ2  LYS  85           1HZ      LYS  85 -17.839   3.016  -9.060
  714    HZ3  LYS  85           2HZ      LYS  85 -16.263   2.409  -9.242
  715    H    ALA  86           H        ALA  86 -13.112   5.915 -13.569
  716    HA   ALA  86           HA       ALA  86 -10.634   7.095 -14.460
  717    HB1  ALA  86           3HB      ALA  86 -11.937   7.717 -16.454
  718    HB2  ALA  86           1HB      ALA  86 -13.433   7.253 -15.638
  719    HB3  ALA  86           2HB      ALA  86 -12.225   6.031 -16.027
  720    H    LYS  87           H        LYS  87 -10.258   9.279 -14.884
  721    HA   LYS  87           HA       LYS  87 -11.055  11.092 -12.895
  722    HB2  LYS  87           1HB      LYS  87  -8.937  11.375 -14.090
  723    HB3  LYS  87           2HB      LYS  87  -9.786  11.564 -15.617
  724    HG2  LYS  87           1HG      LYS  87  -9.019  13.753 -14.789
  725    HG3  LYS  87           2HG      LYS  87 -10.772  13.718 -14.789
  726    HD2  LYS  87           1HD      LYS  87 -10.780  13.274 -12.350
  727    HD3  LYS  87           2HD      LYS  87  -9.022  13.204 -12.359
  728    HE2  LYS  87           1HE      LYS  87  -8.942  15.575 -13.050
  729    HE3  LYS  87           2HE      LYS  87 -10.706  15.631 -13.065
  730    HZ1  LYS  87           3HZ      LYS  87  -8.976  15.949 -10.879
  731    HZ2  LYS  87           1HZ      LYS  87  -9.902  14.552 -10.617
  732    HZ3  LYS  87           2HZ      LYS  87 -10.673  16.039 -10.905
  733    H    GLU  88           H        GLU  88 -12.739  12.480 -12.755
  734    HA   GLU  88           HA       GLU  88 -14.855  12.383 -14.779
  735    HB2  GLU  88           1HB      GLU  88 -15.255  12.290 -12.268
  736    HB3  GLU  88           2HB      GLU  88 -14.780  13.984 -12.180
  737    HG2  GLU  88           1HG      GLU  88 -16.613  14.557 -13.782
  738    HG3  GLU  88           2HG      GLU  88 -17.089  12.865 -13.831
  739    H    ASP  89           H        ASP  89 -13.119  13.404 -16.268
  740    HA   ASP  89           HA       ASP  89 -12.159  15.922 -16.201
  741    HB2  ASP  89           1HB      ASP  89 -13.377  14.572 -18.614
  742    HB3  ASP  89           2HB      ASP  89 -12.240  15.918 -18.663
  743    HA   PRO  90           HA       PRO  90 -16.202  18.158 -16.254
  744    HB2  PRO  90           1HB      PRO  90 -15.525  20.387 -14.932
  745    HB3  PRO  90           2HB      PRO  90 -15.499  18.823 -14.077
  746    HG2  PRO  90           1HG      PRO  90 -13.179  20.330 -15.293
  747    HG3  PRO  90           2HG      PRO  90 -13.302  19.591 -13.680
  748    HD2  PRO  90           1HD      PRO  90 -12.120  18.307 -15.868
  749    HD3  PRO  90           2HD      PRO  90 -12.835  17.444 -14.499
  750    H    LEU  91           H        LEU  91 -13.133  19.218 -17.495
  751    HA   LEU  91           HA       LEU  91 -13.973  21.568 -18.870
  752    HB2  LEU  91           1HB      LEU  91 -11.668  19.715 -19.582
  753    HB3  LEU  91           2HB      LEU  91 -11.830  21.423 -19.999
  754    HG   LEU  91           HG       LEU  91 -11.560  20.312 -17.175
  755   HD11  LEU  91          1HD1      LEU  91  -9.322  21.361 -17.212
  756   HD12  LEU  91          2HD1      LEU  91  -9.583  21.855 -18.884
  757   HD13  LEU  91          3HD1      LEU  91  -9.472  20.142 -18.478
  758   HD21  LEU  91          3HD2      LEU  91 -11.887  23.155 -18.217
  759   HD22  LEU  91          1HD2      LEU  91 -11.157  22.828 -16.641
  760   HD23  LEU  91          2HD2      LEU  91 -12.811  22.335 -16.955
  761    H    GLU  92           H        GLU  92 -14.324  18.219 -19.573
  762    HA   GLU  92           HA       GLU  92 -15.294  17.077 -21.278
  763    HB2  GLU  92           1HB      GLU  92 -17.120  18.798 -20.927
  764    HB3  GLU  92           2HB      GLU  92 -16.398  19.765 -22.202
  765    HG2  GLU  92           1HG      GLU  92 -18.220  18.475 -23.176
  766    HG3  GLU  92           2HG      GLU  92 -16.708  17.825 -23.792
  767    H    HIS  93           H        HIS  93 -14.642  16.330 -23.271
  768    HA   HIS  93           HA       HIS  93 -13.351  18.053 -25.229
  769    HB2  HIS  93           1HB      HIS  93 -11.517  17.655 -23.581
  770    HB3  HIS  93           2HB      HIS  93 -11.684  15.919 -23.830
  771    HD1  HIS  93           HD1      HIS  93 -10.958  14.970 -26.170
  772    HD2  HIS  93           HD2      HIS  93 -10.211  19.043 -25.684
  773    HE1  HIS  93           HE1      HIS  93  -9.468  15.660 -28.098
  774    HE2  HIS  93           HE2      HIS  93  -9.003  18.141 -27.815
  775    H    HIS  94           H        HIS  94 -13.529  14.620 -24.255
  776    HA   HIS  94           HA       HIS  94 -13.477  13.519 -26.847
  777    HB2  HIS  94           1HB      HIS  94 -14.357  11.462 -25.753
  778    HB3  HIS  94           2HB      HIS  94 -13.032  12.176 -24.837
  779    HD1  HIS  94           HD1      HIS  94 -14.873  14.506 -23.591
  780    HD2  HIS  94           HD2      HIS  94 -15.642  10.412 -23.447
  781    HE1  HIS  94           HE1      HIS  94 -16.404  14.137 -21.613
  782    HE2  HIS  94           HE2      HIS  94 -16.883  11.646 -21.507
  783    H    HIS  95           H        HIS  95 -15.244  12.385 -27.936
  784    HA   HIS  95           HA       HIS  95 -17.230  12.389 -29.059
  785    HB2  HIS  95           1HB      HIS  95 -18.383  13.215 -26.365
  786    HB3  HIS  95           2HB      HIS  95 -19.264  12.473 -27.699
  787    HD1  HIS  95           HD1      HIS  95 -18.341  11.384 -24.638
  788    HD2  HIS  95           HD2      HIS  95 -17.203  10.002 -28.404
  789    HE1  HIS  95           HE1      HIS  95 -17.536   9.002 -24.319
  790    HE2  HIS  95           HE2      HIS  95 -16.838   8.149 -26.605
  791    H    HIS  96           H        HIS  96 -17.341  13.927 -30.576
  792    HA   HIS  96           HA       HIS  96 -17.148  16.698 -30.221
  793    HB2  HIS  96           1HB      HIS  96 -18.082  16.834 -32.543
  794    HB3  HIS  96           2HB      HIS  96 -16.795  15.638 -32.395
  795    HD1  HIS  96           HD1      HIS  96 -17.673  13.089 -31.968
  796    HD2  HIS  96           HD2      HIS  96 -20.452  15.773 -33.531
  797    HE1  HIS  96           HE1      HIS  96 -19.548  11.692 -32.937
  798    HE2  HIS  96           HE2      HIS  96 -21.251  13.313 -33.896
  799    H    HIS  97           H        HIS  97 -18.485  17.930 -29.058
  800    HA   HIS  97           HA       HIS  97 -20.347  18.874 -28.146
  801    HB2  HIS  97           1HB      HIS  97 -20.810  19.362 -30.548
  802    HB3  HIS  97           2HB      HIS  97 -21.712  17.857 -30.670
  803    HD1  HIS  97           HD1      HIS  97 -24.127  17.905 -29.954
  804    HD2  HIS  97           HD2      HIS  97 -22.036  21.265 -28.644
  805    HE1  HIS  97           HE1      HIS  97 -25.841  19.457 -28.920
  806    HE2  HIS  97           HE2      HIS  97 -24.581  21.511 -28.117
  807    H    HIS  98           H        HIS  98 -22.577  18.431 -27.305
  808    HA   HIS  98           HA       HIS  98 -23.643  15.784 -27.199
  809    HB2  HIS  98           1HB      HIS  98 -21.629  15.422 -25.760
  810    HB3  HIS  98           2HB      HIS  98 -22.158  16.728 -24.706
  811    HD1  HIS  98           HD1      HIS  98 -23.410  13.361 -25.988
  812    HD2  HIS  98           HD2      HIS  98 -23.923  15.898 -22.720
  813    HE1  HIS  98           HE1      HIS  98 -24.907  12.131 -24.356
  814    HE2  HIS  98           HE2      HIS  98 -25.229  13.666 -22.358
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1 -10.017   2.649  17.173
    2    H2   MET   1           2H       MET   1 -10.075   3.356  18.717
    3    H3   MET   1           3H       MET   1  -9.826   1.685  18.558
    4    HA   MET   1           HA       MET   1  -7.794   3.008  19.102
    5    HB2  MET   1           1HB      MET   1  -6.431   1.845  17.223
    6    HB3  MET   1           2HB      MET   1  -7.432   0.796  18.220
    7    HG2  MET   1           1HG      MET   1  -8.583   1.927  15.636
    8    HG3  MET   1           2HG      MET   1  -7.525   0.525  15.582
    9    HE1  MET   1           3HE      MET   1  -7.848  -1.468  17.326
   10    HE2  MET   1           1HE      MET   1  -8.502  -1.885  15.737
   11    HE3  MET   1           2HE      MET   1  -9.392  -2.309  17.195
   12    H    LYS   2           H        LYS   2  -8.599   5.278  18.692
   13    HA   LYS   2           HA       LYS   2  -8.490   6.492  16.139
   14    HB2  LYS   2           1HB      LYS   2  -9.583   7.499  18.165
   15    HB3  LYS   2           2HB      LYS   2  -7.983   7.809  18.841
   16    HG2  LYS   2           1HG      LYS   2  -7.441   9.306  16.949
   17    HG3  LYS   2           2HG      LYS   2  -8.969   8.904  16.165
   18    HD2  LYS   2           1HD      LYS   2  -9.176  11.080  17.267
   19    HD3  LYS   2           2HD      LYS   2 -10.210   9.914  18.088
   20    HE2  LYS   2           1HE      LYS   2  -8.709   9.794  19.975
   21    HE3  LYS   2           2HE      LYS   2  -7.392  10.558  19.075
   22    HZ1  LYS   2           3HZ      LYS   2  -8.481  12.617  19.119
   23    HZ2  LYS   2           1HZ      LYS   2  -8.660  12.001  20.690
   24    HZ3  LYS   2           2HZ      LYS   2  -9.962  11.940  19.601
   25    H    THR   3           H        THR   3  -6.858   7.323  14.969
   26    HA   THR   3           HA       THR   3  -4.216   7.894  16.047
   27    HB   THR   3           HB       THR   3  -4.506   5.598  14.047
   28    HG1  THR   3           HG1      THR   3  -3.345   4.958  16.364
   29   HG21  THR   3          3HG2      THR   3  -2.085   6.712  15.525
   30   HG22  THR   3          1HG2      THR   3  -2.389   6.867  13.791
   31   HG23  THR   3          2HG2      THR   3  -2.077   5.283  14.497
   32    H    LEU   4           H        LEU   4  -2.957   9.100  14.596
   33    HA   LEU   4           HA       LEU   4  -3.968   9.647  11.887
   34    HB2  LEU   4           1HB      LEU   4  -5.142  11.188  13.704
   35    HB3  LEU   4           2HB      LEU   4  -3.599  12.023  13.763
   36    HG   LEU   4           HG       LEU   4  -3.921  12.062  11.046
   37   HD11  LEU   4          1HD1      LEU   4  -6.039  10.735  11.121
   38   HD12  LEU   4          2HD1      LEU   4  -6.265  12.325  10.399
   39   HD13  LEU   4          3HD1      LEU   4  -6.798  12.028  12.053
   40   HD21  LEU   4          3HD2      LEU   4  -4.985  14.305  11.244
   41   HD22  LEU   4          1HD2      LEU   4  -3.690  14.093  12.421
   42   HD23  LEU   4          2HD2      LEU   4  -5.374  13.963  12.932
   43    H    TYR   5           H        TYR   5  -1.543   8.473  12.956
   44    HA   TYR   5           HA       TYR   5   0.406  10.081  11.472
   45    HB2  TYR   5           1HB      TYR   5   0.868   9.392  14.413
   46    HB3  TYR   5           2HB      TYR   5   2.041  10.141  13.330
   47    HD1  TYR   5           HD2      TYR   5   1.652  12.474  12.438
   48    HD2  TYR   5           HD1      TYR   5  -0.969  10.728  15.388
   49    HE1  TYR   5           HE2      TYR   5   0.718  14.712  12.956
   50    HE2  TYR   5           HE1      TYR   5  -1.887  12.973  15.886
   51    HH   TYR   5           HH       TYR   5  -1.384  15.656  13.905
   52    H    ASP   6           H        ASP   6  -0.868   7.483  11.151
   53    HA   ASP   6           HA       ASP   6   1.167   5.468  11.766
   54    HB2  ASP   6           1HB      ASP   6  -1.285   4.957  11.860
   55    HB3  ASP   6           2HB      ASP   6  -1.394   5.228  10.125
   56    H    LEU   7           H        LEU   7   1.083   7.880   9.583
   57    HA   LEU   7           HA       LEU   7   1.980   8.307   7.540
   58    HB2  LEU   7           1HB      LEU   7   3.747   6.105   8.625
   59    HB3  LEU   7           2HB      LEU   7   4.043   6.724   7.000
   60    HG   LEU   7           HG       LEU   7   4.318   9.019   7.904
   61   HD11  LEU   7          1HD1      LEU   7   3.759   7.714  10.594
   62   HD12  LEU   7          2HD1      LEU   7   2.853   9.018   9.819
   63   HD13  LEU   7          3HD1      LEU   7   4.477   9.318  10.417
   64   HD21  LEU   7          3HD2      LEU   7   6.453   8.656   9.091
   65   HD22  LEU   7          1HD2      LEU   7   6.301   7.515   7.755
   66   HD23  LEU   7          2HD2      LEU   7   6.004   6.987   9.405
   67    HA   PRO   8           HA       PRO   8  -0.791   5.139   5.499
   68    HB2  PRO   8           1HB      PRO   8  -0.920   7.537   3.622
   69    HB3  PRO   8           2HB      PRO   8  -2.232   6.423   4.093
   70    HG2  PRO   8           1HG      PRO   8  -2.120   8.799   5.231
   71    HG3  PRO   8           2HG      PRO   8  -2.406   7.374   6.260
   72    HD2  PRO   8           1HD      PRO   8   0.194   8.910   5.878
   73    HD3  PRO   8           2HD      PRO   8  -0.504   8.262   7.382
   74    H    ILE   9           H        ILE   9  -0.667   4.248   3.256
   75    HA   ILE   9           HA       ILE   9   2.114   3.825   2.490
   76    HB   ILE   9           HB       ILE   9  -0.469   2.786   1.297
   77   HG12  ILE   9          1HG1      ILE   9   1.515   1.347   3.114
   78   HG13  ILE   9          2HG1      ILE   9   0.037   2.101   3.703
   79   HG21  ILE   9          1HG2      ILE   9   1.065   1.018   0.262
   80   HG22  ILE   9          2HG2      ILE   9   2.417   2.037   0.741
   81   HG23  ILE   9          3HG2      ILE   9   1.233   2.622  -0.428
   82   HD11  ILE   9          3HD1      ILE   9   0.147  -0.136   1.648
   83   HD12  ILE   9          1HD1      ILE   9  -1.316   0.631   2.266
   84   HD13  ILE   9          2HD1      ILE   9  -0.292  -0.313   3.345
   85    H    VAL  10           H        VAL  10   2.907   4.126   0.356
   86    HA   VAL  10           HA       VAL  10   1.904   6.620  -0.936
   87    HB   VAL  10           HB       VAL  10   4.612   5.251  -1.304
   88   HG11  VAL  10          1HG1      VAL  10   3.970   6.742  -3.189
   89   HG12  VAL  10          2HG1      VAL  10   5.263   7.467  -2.246
   90   HG13  VAL  10          3HG1      VAL  10   3.608   8.040  -2.049
   91   HG21  VAL  10          3HG2      VAL  10   5.469   7.038   0.202
   92   HG22  VAL  10          1HG2      VAL  10   4.315   6.008   1.041
   93   HG23  VAL  10          2HG2      VAL  10   3.821   7.604   0.473
   94    H    LEU  11           H        LEU  11   1.236   6.642  -3.014
   95    HA   LEU  11           HA       LEU  11   1.005   4.011  -4.385
   96    HB2  LEU  11           1HB      LEU  11  -1.011   5.675  -3.882
   97    HB3  LEU  11           2HB      LEU  11  -0.460   6.494  -5.332
   98    HG   LEU  11           HG       LEU  11  -2.140   4.961  -6.087
   99   HD11  LEU  11          1HD1      LEU  11   0.346   3.271  -6.572
  100   HD12  LEU  11          2HD1      LEU  11   0.090   4.812  -7.392
  101   HD13  LEU  11          3HD1      LEU  11  -1.049   3.505  -7.597
  102   HD21  LEU  11          3HD2      LEU  11  -2.328   2.621  -5.503
  103   HD22  LEU  11          1HD2      LEU  11  -2.357   3.619  -4.053
  104   HD23  LEU  11          2HD2      LEU  11  -0.911   2.729  -4.479
  105    H    ARG  12           H        ARG  12   2.424   3.544  -5.869
  106    HA   ARG  12           HA       ARG  12   3.854   5.697  -7.362
  107    HB2  ARG  12           1HB      ARG  12   5.175   4.004  -5.991
  108    HB3  ARG  12           2HB      ARG  12   4.645   2.773  -7.132
  109    HG2  ARG  12           1HG      ARG  12   5.703   4.031  -8.990
  110    HG3  ARG  12           2HG      ARG  12   6.224   5.276  -7.860
  111    HD2  ARG  12           1HD      ARG  12   8.076   3.735  -8.318
  112    HD3  ARG  12           2HD      ARG  12   7.563   3.555  -6.638
  113    HE   ARG  12           HE       ARG  12   6.148   1.719  -8.289
  114   HH11  ARG  12          1HH2      ARG  12   9.312   2.311  -6.975
  115   HH12  ARG  12          2HH2      ARG  12   9.765   0.639  -6.976
  116   HH21  ARG  12          1HH1      ARG  12   6.754  -0.456  -8.292
  117   HH22  ARG  12          2HH1      ARG  12   8.318  -0.923  -7.719
  118    H    ASN  13           H        ASN  13   4.165   5.487  -9.595
  119    HA   ASN  13           HA       ASN  13   3.456   5.180 -11.741
  120    HB2  ASN  13           1HB      ASN  13   2.651   2.396 -10.805
  121    HB3  ASN  13           2HB      ASN  13   2.975   2.910 -12.452
  122   HD21  ASN  13          2HD2      ASN  13   5.353   4.434 -12.037
  123   HD22  ASN  13          1HD2      ASN  13   6.574   3.386 -11.504
  124    H    LEU  14           H        LEU  14   1.698   6.602 -10.241
  125    HA   LEU  14           HA       LEU  14  -0.968   5.522 -10.287
  126    HB2  LEU  14           1HB      LEU  14  -0.064   7.389  -8.786
  127    HB3  LEU  14           2HB      LEU  14  -0.325   8.480 -10.128
  128    HG   LEU  14           HG       LEU  14  -2.213   8.541  -8.508
  129   HD11  LEU  14          1HD1      LEU  14  -4.021   8.495 -10.014
  130   HD12  LEU  14          2HD1      LEU  14  -3.281   7.278 -11.047
  131   HD13  LEU  14          3HD1      LEU  14  -2.618   8.917 -10.987
  132   HD21  LEU  14          3HD2      LEU  14  -1.925   5.935  -8.063
  133   HD22  LEU  14          1HD2      LEU  14  -3.207   5.793  -9.247
  134   HD23  LEU  14          2HD2      LEU  14  -3.439   6.743  -7.776
  135    HA   PRO  15           HA       PRO  15  -1.346   6.101 -14.870
  136    HB2  PRO  15           1HB      PRO  15  -4.188   5.784 -13.951
  137    HB3  PRO  15           2HB      PRO  15  -3.466   5.139 -15.430
  138    HG2  PRO  15           1HG      PRO  15  -3.805   3.526 -13.354
  139    HG3  PRO  15           2HG      PRO  15  -2.259   3.484 -14.231
  140    HD2  PRO  15           1HD      PRO  15  -2.876   4.698 -11.529
  141    HD3  PRO  15           2HD      PRO  15  -1.403   3.933 -12.119
  142    H    GLU  16           H        GLU  16  -1.851   7.957 -16.101
  143    HA   GLU  16           HA       GLU  16  -2.545  10.392 -14.655
  144    HB2  GLU  16           1HB      GLU  16  -2.078  11.512 -16.831
  145    HB3  GLU  16           2HB      GLU  16  -0.759  10.457 -16.321
  146    HG2  GLU  16           1HG      GLU  16  -1.608   8.667 -17.828
  147    HG3  GLU  16           2HG      GLU  16  -2.906   9.733 -18.357
  148    H    ASP  17           H        ASP  17  -4.164   8.207 -16.849
  149    HA   ASP  17           HA       ASP  17  -6.451  10.038 -17.265
  150    HB2  ASP  17           1HB      ASP  17  -5.893   7.223 -18.269
  151    HB3  ASP  17           2HB      ASP  17  -7.239   8.243 -18.774
  152    H    LEU  18           H        LEU  18  -5.524   7.788 -14.952
  153    HA   LEU  18           HA       LEU  18  -8.374   7.314 -14.117
  154    HB2  LEU  18           1HB      LEU  18  -6.185   5.344 -13.393
  155    HB3  LEU  18           2HB      LEU  18  -7.899   5.112 -13.371
  156    HG   LEU  18           HG       LEU  18  -6.336   5.540 -15.963
  157   HD11  LEU  18          1HD1      LEU  18  -6.519   3.124 -16.357
  158   HD12  LEU  18          2HD1      LEU  18  -7.246   2.909 -14.772
  159   HD13  LEU  18          3HD1      LEU  18  -5.590   3.456 -14.909
  160   HD21  LEU  18          3HD2      LEU  18  -8.648   6.081 -16.294
  161   HD22  LEU  18          1HD2      LEU  18  -9.208   4.699 -15.373
  162   HD23  LEU  18          2HD2      LEU  18  -8.453   4.475 -16.949
  163    H    VAL  19           H        VAL  19  -8.789   7.368 -11.891
  164    HA   VAL  19           HA       VAL  19  -6.652   8.356 -10.063
  165    HB   VAL  19           HB       VAL  19  -7.953  10.284  -9.310
  166   HG11  VAL  19          1HG1      VAL  19  -6.385  10.558 -11.259
  167   HG12  VAL  19          2HG1      VAL  19  -7.695  11.740 -11.248
  168   HG13  VAL  19          3HG1      VAL  19  -7.759  10.374 -12.349
  169   HG21  VAL  19          3HG2      VAL  19 -10.030  10.971 -10.711
  170   HG22  VAL  19          1HG2      VAL  19 -10.254   9.612  -9.611
  171   HG23  VAL  19          2HG2      VAL  19 -10.028   9.314 -11.330
  172    H    LEU  20           H        LEU  20  -7.309   8.415  -7.844
  173    HA   LEU  20           HA       LEU  20  -9.022   6.126  -7.150
  174    HB2  LEU  20           1HB      LEU  20  -6.610   7.339  -6.056
  175    HB3  LEU  20           2HB      LEU  20  -7.825   7.433  -4.791
  176    HG   LEU  20           HG       LEU  20  -7.029   4.895  -6.277
  177   HD11  LEU  20          1HD1      LEU  20  -5.246   5.691  -4.786
  178   HD12  LEU  20          2HD1      LEU  20  -5.983   4.232  -4.128
  179   HD13  LEU  20          3HD1      LEU  20  -6.391   5.807  -3.447
  180   HD21  LEU  20          3HD2      LEU  20  -9.335   5.493  -4.497
  181   HD22  LEU  20          1HD2      LEU  20  -8.401   4.088  -3.975
  182   HD23  LEU  20          2HD2      LEU  20  -9.064   4.159  -5.600
  183    H    GLU  21           H        GLU  21 -11.100   6.418  -6.628
  184    HA   GLU  21           HA       GLU  21 -12.263   9.037  -6.216
  185    HB2  GLU  21           1HB      GLU  21 -14.392   7.758  -6.024
  186    HB3  GLU  21           2HB      GLU  21 -13.480   7.317  -7.467
  187    HG2  GLU  21           1HG      GLU  21 -12.599   5.308  -6.315
  188    HG3  GLU  21           2HG      GLU  21 -13.493   5.735  -4.863
  189    H    LYS  22           H        LYS  22 -10.825   6.738  -4.168
  190    HA   LYS  22           HA       LYS  22 -11.669   8.257  -1.801
  191    HB2  LYS  22           1HB      LYS  22 -13.404   6.481  -2.146
  192    HB3  LYS  22           2HB      LYS  22 -12.166   5.257  -1.916
  193    HG2  LYS  22           1HG      LYS  22 -11.705   6.156   0.357
  194    HG3  LYS  22           2HG      LYS  22 -12.959   7.369   0.141
  195    HD2  LYS  22           1HD      LYS  22 -13.598   4.383  -0.098
  196    HD3  LYS  22           2HD      LYS  22 -13.562   5.183   1.469
  197    HE2  LYS  22           1HE      LYS  22 -15.367   5.966  -0.854
  198    HE3  LYS  22           2HE      LYS  22 -15.862   5.119   0.604
  199    HZ1  LYS  22           3HZ      LYS  22 -16.370   7.312   1.052
  200    HZ2  LYS  22           1HZ      LYS  22 -14.971   7.913   0.304
  201    HZ3  LYS  22           2HZ      LYS  22 -14.859   7.128   1.807
  202    HA   PRO  23           HA       PRO  23  -7.341   7.215  -1.033
  203    HB2  PRO  23           1HB      PRO  23  -7.094   7.933   1.650
  204    HB3  PRO  23           2HB      PRO  23  -7.136   9.120   0.324
  205    HG2  PRO  23           1HG      PRO  23  -9.431   8.158   2.039
  206    HG3  PRO  23           2HG      PRO  23  -8.934   9.832   1.680
  207    HD2  PRO  23           1HD      PRO  23 -10.929   8.752   0.287
  208    HD3  PRO  23           2HD      PRO  23  -9.704   9.695  -0.599
  209    H    LEU  24           H        LEU  24  -6.097   5.655   0.019
  210    HA   LEU  24           HA       LEU  24  -7.020   3.127   0.227
  211    HB2  LEU  24           1HB      LEU  24  -4.673   4.505   1.529
  212    HB3  LEU  24           2HB      LEU  24  -4.949   2.810   1.916
  213    HG   LEU  24           HG       LEU  24  -4.830   2.239  -0.510
  214   HD11  LEU  24          1HD1      LEU  24  -4.331   5.216  -0.873
  215   HD12  LEU  24          2HD1      LEU  24  -5.635   4.252  -1.572
  216   HD13  LEU  24          3HD1      LEU  24  -3.981   4.010  -2.114
  217   HD21  LEU  24          3HD2      LEU  24  -2.780   2.205   0.865
  218   HD22  LEU  24          1HD2      LEU  24  -2.469   3.896   0.448
  219   HD23  LEU  24          2HD2      LEU  24  -2.409   2.647  -0.800
  220    HA   PRO  25           HA       PRO  25  -9.446   2.745   3.949
  221    HB2  PRO  25           1HB      PRO  25  -9.217   0.096   4.615
  222    HB3  PRO  25           2HB      PRO  25 -10.021   0.608   3.106
  223    HG2  PRO  25           1HG      PRO  25  -7.136  -0.232   3.485
  224    HG3  PRO  25           2HG      PRO  25  -8.331  -0.877   2.333
  225    HD2  PRO  25           1HD      PRO  25  -6.586   1.022   1.516
  226    HD3  PRO  25           2HD      PRO  25  -8.280   1.099   0.983
  227    H    GLU  26           H        GLU  26  -6.100   1.716   4.141
  228    HA   GLU  26           HA       GLU  26  -4.530   1.744   5.784
  229    HB2  GLU  26           1HB      GLU  26  -5.216   4.160   5.860
  230    HB3  GLU  26           2HB      GLU  26  -6.355   3.774   7.147
  231    HG2  GLU  26           1HG      GLU  26  -4.480   2.973   8.571
  232    HG3  GLU  26           2HG      GLU  26  -3.343   3.347   7.280
  233    H    VAL  27           H        VAL  27  -4.070   0.331   7.384
  234    HA   VAL  27           HA       VAL  27  -5.947  -0.297   9.531
  235    HB   VAL  27           HB       VAL  27  -6.758  -1.687   7.655
  236   HG11  VAL  27          1HG1      VAL  27  -4.607  -1.882   6.424
  237   HG12  VAL  27          2HG1      VAL  27  -5.357  -3.454   6.685
  238   HG13  VAL  27          3HG1      VAL  27  -3.996  -2.958   7.678
  239   HG21  VAL  27          3HG2      VAL  27  -6.924  -3.764   8.850
  240   HG22  VAL  27          1HG2      VAL  27  -6.721  -2.555  10.111
  241   HG23  VAL  27          2HG2      VAL  27  -5.361  -3.564   9.624
  242    H    SER  28           H        SER  28  -4.975  -2.095  10.918
  243    HA   SER  28           HA       SER  28  -2.250  -1.292  11.587
  244    HB2  SER  28           1HB      SER  28  -4.115  -3.319  12.867
  245    HB3  SER  28           2HB      SER  28  -2.586  -2.763  13.551
  246    HG   SER  28           HG       SER  28  -3.559  -1.001  14.178
  247    H    VAL  29           H        VAL  29  -0.699  -3.069  12.211
  248    HA   VAL  29           HA       VAL  29  -0.721  -5.441  10.390
  249    HB   VAL  29           HB       VAL  29   1.709  -3.595  10.690
  250   HG11  VAL  29          1HG1      VAL  29   2.318  -5.907  10.140
  251   HG12  VAL  29          2HG1      VAL  29   2.531  -4.910   8.706
  252   HG13  VAL  29          3HG1      VAL  29   1.120  -5.956   8.844
  253   HG21  VAL  29          3HG2      VAL  29  -0.284  -3.766   8.407
  254   HG22  VAL  29          1HG2      VAL  29   1.226  -2.871   8.353
  255   HG23  VAL  29          2HG2      VAL  29  -0.046  -2.379   9.463
  256    H    THR  30           H        THR  30   0.665  -7.151  11.097
  257    HA   THR  30           HA       THR  30   1.524  -6.945  13.967
  258    HB   THR  30           HB       THR  30   0.587  -9.473  12.524
  259    HG1  THR  30           HG1      THR  30  -0.780  -7.523  14.064
  260   HG21  THR  30          3HG2      THR  30   0.931  -8.784  15.485
  261   HG22  THR  30          1HG2      THR  30   2.010  -9.815  14.549
  262   HG23  THR  30          2HG2      THR  30   0.349 -10.319  14.848
  263    H    ILE  31           H        ILE  31   3.662  -7.018  14.153
  264    HA   ILE  31           HA       ILE  31   5.280  -8.649  12.255
  265    HB   ILE  31           HB       ILE  31   6.065  -6.062  13.634
  266   HG12  ILE  31          1HG1      ILE  31   4.466  -5.688  11.782
  267   HG13  ILE  31          2HG1      ILE  31   6.061  -5.097  11.349
  268   HG21  ILE  31          1HG2      ILE  31   8.105  -6.243  12.148
  269   HG22  ILE  31          2HG2      ILE  31   7.564  -7.868  11.722
  270   HG23  ILE  31          3HG2      ILE  31   8.027  -7.503  13.381
  271   HD11  ILE  31          3HD1      ILE  31   4.504  -7.394  10.231
  272   HD12  ILE  31          1HD1      ILE  31   6.262  -7.523  10.196
  273   HD13  ILE  31          2HD1      ILE  31   5.458  -6.177   9.401
  274    H    ARG  32           H        ARG  32   7.004  -9.778  13.092
  275    HA   ARG  32           HA       ARG  32   7.060 -10.173  16.071
  276    HB2  ARG  32           1HB      ARG  32   5.893 -12.036  14.873
  277    HB3  ARG  32           2HB      ARG  32   7.353 -12.332  13.936
  278    HG2  ARG  32           1HG      ARG  32   8.601 -12.788  16.059
  279    HG3  ARG  32           2HG      ARG  32   7.127 -12.497  16.974
  280    HD2  ARG  32           1HD      ARG  32   6.037 -14.385  15.738
  281    HD3  ARG  32           2HD      ARG  32   7.582 -14.717  14.943
  282    HE   ARG  32           HE       ARG  32   6.858 -15.380  17.657
  283   HH11  ARG  32          1HH2      ARG  32   9.512 -14.591  15.551
  284   HH12  ARG  32          2HH2      ARG  32  10.710 -15.290  16.591
  285   HH21  ARG  32          1HH1      ARG  32   8.432 -16.272  19.010
  286   HH22  ARG  32          2HH1      ARG  32  10.101 -16.235  18.544
  287    H    ALA  33           H        ALA  33   8.947  -9.514  16.803
  288    HA   ALA  33           HA       ALA  33  11.433 -10.521  15.824
  289    HB1  ALA  33           3HB      ALA  33  11.981  -7.761  15.411
  290    HB2  ALA  33           1HB      ALA  33  10.427  -8.020  14.643
  291    HB3  ALA  33           2HB      ALA  33  11.816  -8.974  14.144
  292    H    TYR  34           H        TYR  34  13.282  -9.078  16.869
  293    HA   TYR  34           HA       TYR  34  12.917  -9.312  19.687
  294    HB2  TYR  34           1HB      TYR  34  15.184  -8.115  18.064
  295    HB3  TYR  34           2HB      TYR  34  15.267  -8.511  19.756
  296    HD1  TYR  34           HD1      TYR  34  15.163 -10.893  20.539
  297    HD2  TYR  34           HD2      TYR  34  15.283  -9.899  16.343
  298    HE1  TYR  34           HE1      TYR  34  15.758 -13.232  19.986
  299    HE2  TYR  34           HE2      TYR  34  15.882 -12.249  15.814
  300    HH   TYR  34           HH       TYR  34  15.408 -14.733  17.719
  301    HA   PRO  35           HA       PRO  35  11.559  -5.090  20.477
  302    HB2  PRO  35           1HB      PRO  35  12.290  -4.675  23.084
  303    HB3  PRO  35           2HB      PRO  35  10.969  -5.779  22.625
  304    HG2  PRO  35           1HG      PRO  35  13.839  -6.453  23.258
  305    HG3  PRO  35           2HG      PRO  35  12.352  -7.233  23.844
  306    HD2  PRO  35           1HD      PRO  35  13.780  -8.297  21.766
  307    HD3  PRO  35           2HD      PRO  35  12.005  -8.401  21.806
  308    H    GLU  36           H        GLU  36  14.910  -5.922  21.010
  309    HA   GLU  36           HA       GLU  36  16.035  -3.340  21.402
  310    HB2  GLU  36           1HB      GLU  36  18.144  -4.532  20.230
  311    HB3  GLU  36           2HB      GLU  36  17.620  -5.029  21.823
  312    HG2  GLU  36           1HG      GLU  36  16.480  -6.954  21.006
  313    HG3  GLU  36           2HG      GLU  36  16.581  -6.414  19.329
  314    H    ILE  37           H        ILE  37  15.435  -5.130  18.378
  315    HA   ILE  37           HA       ILE  37  16.396  -2.863  16.748
  316    HB   ILE  37           HB       ILE  37  15.966  -4.279  14.799
  317   HG12  ILE  37          1HG1      ILE  37  14.660  -6.157  16.819
  318   HG13  ILE  37          2HG1      ILE  37  13.893  -5.404  15.438
  319   HG21  ILE  37          1HG2      ILE  37  17.298  -5.891  17.019
  320   HG22  ILE  37          2HG2      ILE  37  18.077  -4.564  16.164
  321   HG23  ILE  37          3HG2      ILE  37  17.626  -6.020  15.293
  322   HD11  ILE  37          3HD1      ILE  37  14.307  -7.665  14.798
  323   HD12  ILE  37          1HD1      ILE  37  15.945  -7.628  15.437
  324   HD13  ILE  37          2HD1      ILE  37  15.536  -6.722  13.972
  325    H    LEU  38           H        LEU  38  13.344  -4.310  17.712
  326    HA   LEU  38           HA       LEU  38  11.701  -2.768  15.907
  327    HB2  LEU  38           1HB      LEU  38  11.089  -4.215  18.462
  328    HB3  LEU  38           2HB      LEU  38   9.831  -3.347  17.636
  329    HG   LEU  38           HG       LEU  38  11.466  -5.535  16.262
  330   HD11  LEU  38          1HD1      LEU  38  10.335  -6.534  18.218
  331   HD12  LEU  38          2HD1      LEU  38   9.574  -7.080  16.733
  332   HD13  LEU  38          3HD1      LEU  38   8.800  -5.831  17.707
  333   HD21  LEU  38          3HD2      LEU  38   9.449  -5.642  14.756
  334   HD22  LEU  38          1HD2      LEU  38  10.233  -4.079  14.695
  335   HD23  LEU  38          2HD2      LEU  38   8.756  -4.279  15.628
  336    H    ASN  39           H        ASN  39  12.960  -2.207  19.135
  337    HA   ASN  39           HA       ASN  39  11.470   0.251  19.588
  338    HB2  ASN  39           1HB      ASN  39  12.245  -1.227  21.448
  339    HB3  ASN  39           2HB      ASN  39  13.915  -0.847  21.044
  340   HD21  ASN  39          2HD2      ASN  39  11.050   0.305  22.691
  341   HD22  ASN  39          1HD2      ASN  39  11.715   1.770  23.239
  342    H    ASN  40           H        ASN  40  14.155  -0.610  17.749
  343    HA   ASN  40           HA       ASN  40  15.380   2.104  17.821
  344    HB2  ASN  40           1HB      ASN  40  16.838   0.079  18.160
  345    HB3  ASN  40           2HB      ASN  40  16.416  -0.451  16.540
  346   HD21  ASN  40          2HD2      ASN  40  18.203   2.007  18.366
  347   HD22  ASN  40          1HD2      ASN  40  19.089   2.590  17.039
  348    H    LEU  41           H        LEU  41  13.927  -0.298  15.636
  349    HA   LEU  41           HA       LEU  41  14.361   1.067  13.229
  350    HB2  LEU  41           1HB      LEU  41  13.075  -1.378  13.966
  351    HB3  LEU  41           2HB      LEU  41  11.800  -0.490  13.191
  352    HG   LEU  41           HG       LEU  41  14.537  -1.073  11.967
  353   HD11  LEU  41          1HD1      LEU  41  11.818  -2.303  11.369
  354   HD12  LEU  41          2HD1      LEU  41  13.170  -3.118  12.156
  355   HD13  LEU  41          3HD1      LEU  41  13.307  -2.624  10.461
  356   HD21  LEU  41          3HD2      LEU  41  12.072   0.349  10.887
  357   HD22  LEU  41          1HD2      LEU  41  13.336  -0.294   9.836
  358   HD23  LEU  41          2HD2      LEU  41  13.714   0.955  11.005
  359    H    THR  42           H        THR  42  13.115   2.506  12.072
  360    HA   THR  42           HA       THR  42  10.882   3.872  13.544
  361    HB   THR  42           HB       THR  42  12.795   5.356  13.525
  362    HG1  THR  42           HG1      THR  42  10.795   6.273  13.031
  363   HG21  THR  42          3HG2      THR  42  13.952   6.004  11.469
  364   HG22  THR  42          1HG2      THR  42  12.899   4.958  10.525
  365   HG23  THR  42          2HG2      THR  42  14.052   4.256  11.664
  366    H    LYS  43           H        LYS  43   9.169   4.584  12.334
  367    HA   LYS  43           HA       LYS  43   8.270   2.944  10.261
  368    HB2  LYS  43           1HB      LYS  43   7.440   5.767  10.992
  369    HB3  LYS  43           2HB      LYS  43   6.506   4.677   9.956
  370    HG2  LYS  43           1HG      LYS  43   6.275   3.066  11.812
  371    HG3  LYS  43           2HG      LYS  43   7.257   4.098  12.858
  372    HD2  LYS  43           1HD      LYS  43   5.595   5.910  12.664
  373    HD3  LYS  43           2HD      LYS  43   4.605   4.912  11.596
  374    HE2  LYS  43           1HE      LYS  43   4.307   3.259  13.421
  375    HE3  LYS  43           2HE      LYS  43   5.291   4.263  14.490
  376    HZ1  LYS  43           3HZ      LYS  43   3.319   5.873  13.318
  377    HZ2  LYS  43           1HZ      LYS  43   3.507   5.468  14.954
  378    HZ3  LYS  43           2HZ      LYS  43   2.557   4.489  13.940
  379    H    GLU  44           H        GLU  44   9.963   6.052  10.087
  380    HA   GLU  44           HA       GLU  44   9.625   6.624   7.347
  381    HB2  GLU  44           1HB      GLU  44  11.970   7.288   9.165
  382    HB3  GLU  44           2HB      GLU  44  11.641   8.060   7.612
  383    HG2  GLU  44           1HG      GLU  44   9.456   8.868   8.479
  384    HG3  GLU  44           2HG      GLU  44   9.790   8.104  10.032
  385    H    GLN  45           H        GLN  45  11.585   4.234   8.893
  386    HA   GLN  45           HA       GLN  45  13.473   3.889   6.706
  387    HB2  GLN  45           1HB      GLN  45  14.054   3.387   9.066
  388    HB3  GLN  45           2HB      GLN  45  12.882   2.084   9.048
  389    HG2  GLN  45           1HG      GLN  45  14.160   0.863   7.348
  390    HG3  GLN  45           2HG      GLN  45  15.258   2.228   7.144
  391   HE21  GLN  45          2HE2      GLN  45  15.288  -0.768   8.485
  392   HE22  GLN  45          1HE2      GLN  45  16.301  -0.499   9.812
  393    H    ILE  46           H        ILE  46  10.478   2.330   7.767
  394    HA   ILE  46           HA       ILE  46  10.628   0.086   6.031
  395    HB   ILE  46           HB       ILE  46   8.031   1.352   7.058
  396   HG12  ILE  46          1HG1      ILE  46   9.521   1.273   9.001
  397   HG13  ILE  46          2HG1      ILE  46   8.354  -0.030   9.143
  398   HG21  ILE  46          1HG2      ILE  46   7.255  -0.990   7.105
  399   HG22  ILE  46          2HG2      ILE  46   8.846  -1.556   6.596
  400   HG23  ILE  46          3HG2      ILE  46   7.873  -0.592   5.510
  401   HD11  ILE  46          3HD1      ILE  46  10.212  -1.507   8.064
  402   HD12  ILE  46          1HD1      ILE  46  10.401  -1.010   9.735
  403   HD13  ILE  46          2HD1      ILE  46  11.284  -0.173   8.458
  404    H    SER  47           H        SER  47  10.245  -0.048   3.900
  405    HA   SER  47           HA       SER  47   9.165   2.303   2.415
  406    HB2  SER  47           1HB      SER  47  10.648  -0.113   1.347
  407    HB3  SER  47           2HB      SER  47  10.283   1.370   0.495
  408    HG   SER  47           HG       SER  47  11.903   1.109   2.807
  409    H    LEU  48           H        LEU  48   7.044   2.157   2.097
  410    HA   LEU  48           HA       LEU  48   5.835  -0.427   1.178
  411    HB2  LEU  48           1HB      LEU  48   4.714   1.621   3.123
  412    HB3  LEU  48           2HB      LEU  48   3.722   0.348   2.415
  413    HG   LEU  48           HG       LEU  48   6.282  -0.427   3.850
  414   HD11  LEU  48          1HD1      LEU  48   3.667   0.165   5.259
  415   HD12  LEU  48          2HD1      LEU  48   5.182   1.039   5.473
  416   HD13  LEU  48          3HD1      LEU  48   5.057  -0.638   5.997
  417   HD21  LEU  48          3HD2      LEU  48   3.591  -1.829   3.684
  418   HD22  LEU  48          1HD2      LEU  48   5.095  -2.493   4.320
  419   HD23  LEU  48          2HD2      LEU  48   4.945  -2.151   2.605
  420    H    TRP  49           H        TRP  49   4.947  -0.275  -0.737
  421    HA   TRP  49           HA       TRP  49   3.354   1.970  -1.529
  422    HB2  TRP  49           1HB      TRP  49   4.655   2.805  -3.364
  423    HB3  TRP  49           2HB      TRP  49   5.795   2.649  -2.030
  424    HD1  TRP  49           HD1      TRP  49   4.942   1.178  -5.403
  425    HE1  TRP  49           HE1      TRP  49   6.796  -0.429  -6.144
  426    HE3  TRP  49           HE3      TRP  49   7.614   0.929  -1.080
  427    HZ2  TRP  49           HZ2      TRP  49   9.104  -1.698  -5.028
  428    HZ3  TRP  49           HZ3      TRP  49   9.626  -0.516  -0.932
  429    HH2  TRP  49           HH2      TRP  49  10.375  -1.826  -2.898
  430    H    ILE  50           H        ILE  50   2.855   1.587  -4.064
  431    HA   ILE  50           HA       ILE  50   2.517  -1.295  -4.629
  432    HB   ILE  50           HB       ILE  50   0.095   0.569  -4.724
  433   HG12  ILE  50          1HG1      ILE  50   0.879  -1.303  -2.450
  434   HG13  ILE  50          2HG1      ILE  50   0.831   0.450  -2.363
  435   HG21  ILE  50          1HG2      ILE  50  -1.163  -1.557  -4.835
  436   HG22  ILE  50          2HG2      ILE  50   0.341  -2.461  -4.707
  437   HG23  ILE  50          3HG2      ILE  50   0.010  -1.476  -6.125
  438   HD11  ILE  50          3HD1      ILE  50  -1.161  -0.385  -1.343
  439   HD12  ILE  50          1HD1      ILE  50  -1.540  -1.360  -2.759
  440   HD13  ILE  50          2HD1      ILE  50  -1.598   0.405  -2.858
  441    H    ASP  51           H        ASP  51   1.915  -1.722  -6.793
  442    HA   ASP  51           HA       ASP  51   2.747   0.392  -8.731
  443    HB2  ASP  51           1HB      ASP  51   2.755  -2.642  -8.921
  444    HB3  ASP  51           2HB      ASP  51   3.339  -1.534 -10.163
  445    H    ALA  52           H        ALA  52   0.958   1.364  -9.503
  446    HA   ALA  52           HA       ALA  52  -1.513  -0.169 -10.043
  447    HB1  ALA  52           3HB      ALA  52  -2.328   2.198 -10.734
  448    HB2  ALA  52           1HB      ALA  52  -0.808   2.778 -10.022
  449    HB3  ALA  52           2HB      ALA  52  -1.988   1.913  -9.035
  450    H    THR  53           H        THR  53   1.303   0.218 -11.644
  451    HA   THR  53           HA       THR  53   0.366   0.822 -14.314
  452    HB   THR  53           HB       THR  53   2.709   1.192 -14.134
  453    HG1  THR  53           HG1      THR  53   3.280  -1.306 -14.955
  454   HG21  THR  53          3HG2      THR  53   3.144   0.184 -11.957
  455   HG22  THR  53          1HG2      THR  53   4.264  -0.518 -13.121
  456   HG23  THR  53          2HG2      THR  53   2.854  -1.438 -12.599
  457    H    GLY  54           H        GLY  54   0.400  -0.727 -16.064
  458    HA2  GLY  54           1HA      GLY  54  -0.306  -2.692 -17.084
  459    HA3  GLY  54           2HA      GLY  54   0.318  -3.559 -15.686
  460    H    LYS  55           H        LYS  55  -1.428  -2.099 -13.795
  461    HA   LYS  55           HA       LYS  55  -3.687  -3.845 -13.829
  462    HB2  LYS  55           1HB      LYS  55  -2.844  -1.480 -12.124
  463    HB3  LYS  55           2HB      LYS  55  -4.501  -2.043 -11.987
  464    HG2  LYS  55           1HG      LYS  55  -3.188  -3.131 -10.257
  465    HG3  LYS  55           2HG      LYS  55  -3.621  -4.350 -11.455
  466    HD2  LYS  55           1HD      LYS  55  -1.353  -4.095 -12.490
  467    HD3  LYS  55           2HD      LYS  55  -0.945  -2.908 -11.253
  468    HE2  LYS  55           1HE      LYS  55  -1.700  -5.815 -10.730
  469    HE3  LYS  55           2HE      LYS  55  -0.067  -5.148 -10.647
  470    HZ1  LYS  55           3HZ      LYS  55  -2.380  -4.353  -8.970
  471    HZ2  LYS  55           1HZ      LYS  55  -0.853  -3.619  -8.923
  472    HZ3  LYS  55           2HZ      LYS  55  -1.027  -5.245  -8.460
  473    H    ALA  56           H        ALA  56  -5.783  -3.485 -14.335
  474    HA   ALA  56           HA       ALA  56  -6.427  -1.142 -16.082
  475    HB1  ALA  56           3HB      ALA  56  -7.732  -3.887 -15.853
  476    HB2  ALA  56           1HB      ALA  56  -6.610  -3.389 -17.117
  477    HB3  ALA  56           2HB      ALA  56  -8.191  -2.616 -16.991
  478    H    VAL  57           H        VAL  57  -8.782  -0.580 -15.998
  479    HA   VAL  57           HA       VAL  57  -9.459   0.445 -13.484
  480    HB   VAL  57           HB       VAL  57 -11.373  -0.041 -15.818
  481   HG11  VAL  57          1HG1      VAL  57 -12.525   1.958 -14.923
  482   HG12  VAL  57          2HG1      VAL  57 -11.327   2.076 -13.640
  483   HG13  VAL  57          3HG1      VAL  57 -12.435   0.709 -13.686
  484   HG21  VAL  57          3HG2      VAL  57  -9.324   1.108 -16.626
  485   HG22  VAL  57          1HG2      VAL  57  -9.478   2.283 -15.329
  486   HG23  VAL  57          2HG2      VAL  57 -10.683   2.221 -16.605
  487    H    GLY  58           H        GLY  58 -10.904  -0.214 -11.935
  488    HA2  GLY  58           1HA      GLY  58 -12.841  -1.668 -11.319
  489    HA3  GLY  58           2HA      GLY  58 -11.980  -3.010 -12.052
  490    H    GLU  59           H        GLU  59 -12.706  -3.454  -9.587
  491    HA   GLU  59           HA       GLU  59 -10.502  -2.739  -7.747
  492    HB2  GLU  59           1HB      GLU  59 -12.024  -3.645  -5.982
  493    HB3  GLU  59           2HB      GLU  59 -12.737  -2.315  -6.890
  494    HG2  GLU  59           1HG      GLU  59 -13.984  -3.952  -8.296
  495    HG3  GLU  59           2HG      GLU  59 -13.308  -5.268  -7.348
  496    H    HIS  60           H        HIS  60  -8.997  -4.097  -7.159
  497    HA   HIS  60           HA       HIS  60  -9.379  -7.013  -7.265
  498    HB2  HIS  60           1HB      HIS  60  -7.140  -5.576  -8.753
  499    HB3  HIS  60           2HB      HIS  60  -7.317  -7.327  -8.593
  500    HD1  HIS  60           HD1      HIS  60  -9.542  -8.368  -9.708
  501    HD2  HIS  60           HD2      HIS  60  -8.641  -4.453 -10.826
  502    HE1  HIS  60           HE1      HIS  60 -10.964  -7.859 -11.744
  503    HE2  HIS  60           HE2      HIS  60 -10.425  -5.475 -12.436
  504    H    THR  61           H        THR  61  -7.848  -8.147  -6.069
  505    HA   THR  61           HA       THR  61  -6.760  -6.672  -3.791
  506    HB   THR  61           HB       THR  61  -6.689  -9.672  -4.338
  507    HG1  THR  61           HG1      THR  61  -8.450  -8.293  -2.625
  508   HG21  THR  61          3HG2      THR  61  -6.417  -9.802  -1.868
  509   HG22  THR  61          1HG2      THR  61  -6.358  -8.046  -1.787
  510   HG23  THR  61          2HG2      THR  61  -5.069  -8.936  -2.602
  511    H    VAL  62           H        VAL  62  -4.570  -6.404  -3.358
  512    HA   VAL  62           HA       VAL  62  -2.561  -7.623  -5.189
  513    HB   VAL  62           HB       VAL  62  -1.503  -5.440  -5.656
  514   HG11  VAL  62          1HG1      VAL  62  -3.234  -6.353  -7.233
  515   HG12  VAL  62          2HG1      VAL  62  -3.130  -4.595  -7.266
  516   HG13  VAL  62          3HG1      VAL  62  -4.458  -5.370  -6.424
  517   HG21  VAL  62          3HG2      VAL  62  -2.157  -4.123  -3.720
  518   HG22  VAL  62          1HG2      VAL  62  -3.873  -4.299  -4.105
  519   HG23  VAL  62          2HG2      VAL  62  -2.828  -3.325  -5.136
  520    H    LYS  63           H        LYS  63  -0.457  -7.622  -4.432
  521    HA   LYS  63           HA       LYS  63  -0.214  -7.509  -1.479
  522    HB2  LYS  63           1HB      LYS  63   1.575  -8.756  -3.607
  523    HB3  LYS  63           2HB      LYS  63   1.854  -8.840  -1.865
  524    HG2  LYS  63           1HG      LYS  63  -0.351  -9.978  -1.578
  525    HG3  LYS  63           2HG      LYS  63  -0.592  -9.931  -3.326
  526    HD2  LYS  63           1HD      LYS  63   1.436 -11.328  -3.649
  527    HD3  LYS  63           2HD      LYS  63   1.696 -11.361  -1.903
  528    HE2  LYS  63           1HE      LYS  63   0.559 -13.433  -2.653
  529    HE3  LYS  63           2HE      LYS  63  -0.502 -12.493  -1.603
  530    HZ1  LYS  63           3HZ      LYS  63  -1.951 -12.225  -3.245
  531    HZ2  LYS  63           1HZ      LYS  63  -1.071 -13.373  -4.131
  532    HZ3  LYS  63           2HZ      LYS  63  -0.751 -11.716  -4.335
  533    H    ILE  64           H        ILE  64   1.357  -6.386  -0.447
  534    HA   ILE  64           HA       ILE  64   2.409  -3.996  -1.817
  535    HB   ILE  64           HB       ILE  64   2.735  -4.674   1.157
  536   HG12  ILE  64          1HG1      ILE  64   0.614  -3.205   1.438
  537   HG13  ILE  64          2HG1      ILE  64   0.311  -3.450  -0.277
  538   HG21  ILE  64          1HG2      ILE  64   2.821  -2.212   1.375
  539   HG22  ILE  64          2HG2      ILE  64   2.588  -2.031  -0.354
  540   HG23  ILE  64          3HG2      ILE  64   4.063  -2.777   0.261
  541   HD11  ILE  64          3HD1      ILE  64  -0.500  -5.565   0.081
  542   HD12  ILE  64          1HD1      ILE  64  -0.653  -5.012   1.739
  543   HD13  ILE  64          2HD1      ILE  64   0.730  -5.979   1.282
  544    H    TYR  65           H        TYR  65   4.579  -3.693  -2.229
  545    HA   TYR  65           HA       TYR  65   6.312  -5.905  -2.428
  546    HB2  TYR  65           1HB      TYR  65   6.401  -3.037  -3.078
  547    HB3  TYR  65           2HB      TYR  65   7.934  -3.474  -2.345
  548    HD1  TYR  65           HD1      TYR  65   9.325  -5.362  -3.336
  549    HD2  TYR  65           HD2      TYR  65   5.832  -3.821  -5.346
  550    HE1  TYR  65           HE1      TYR  65  10.052  -6.431  -5.450
  551    HE2  TYR  65           HE2      TYR  65   6.578  -4.892  -7.448
  552    HH   TYR  65           HH       TYR  65   9.728  -6.305  -7.788
  553    H    TRP  66           H        TRP  66   6.246  -3.275  -0.044
  554    HA   TRP  66           HA       TRP  66   7.185  -3.019   2.009
  555    HB2  TRP  66           1HB      TRP  66   6.257  -4.593   3.450
  556    HB3  TRP  66           2HB      TRP  66   5.694  -5.416   2.005
  557    HD1  TRP  66           HD1      TRP  66   8.592  -5.447   4.506
  558    HE1  TRP  66           HE1      TRP  66   9.701  -7.779   4.472
  559    HE3  TRP  66           HE3      TRP  66   5.961  -7.641   0.727
  560    HZ2  TRP  66           HZ2      TRP  66   9.502 -10.229   3.057
  561    HZ3  TRP  66           HZ3      TRP  66   6.439  -9.983   0.059
  562    HH2  TRP  66           HH2      TRP  66   8.206 -11.281   1.220
  563    H    GLN  67           H        GLN  67   9.253  -2.536   2.540
  564    HA   GLN  67           HA       GLN  67  11.417  -4.513   2.120
  565    HB2  GLN  67           1HB      GLN  67  11.030  -2.400   0.262
  566    HB3  GLN  67           2HB      GLN  67  12.298  -1.776   1.309
  567    HG2  GLN  67           1HG      GLN  67  12.382  -4.436  -0.177
  568    HG3  GLN  67           2HG      GLN  67  13.285  -2.981  -0.597
  569   HE21  GLN  67          2HE2      GLN  67  14.797  -2.157   1.233
  570   HE22  GLN  67          1HE2      GLN  67  15.565  -3.337   2.183
  571    H    LEU  68           H        LEU  68  12.648  -4.658   3.797
  572    HA   LEU  68           HA       LEU  68  13.115  -2.349   5.574
  573    HB2  LEU  68           1HB      LEU  68  12.684  -4.629   7.342
  574    HB3  LEU  68           2HB      LEU  68  11.889  -3.072   7.333
  575    HG   LEU  68           HG       LEU  68  10.334  -3.949   5.518
  576   HD11  LEU  68          1HD1      LEU  68  12.126  -6.315   5.696
  577   HD12  LEU  68          2HD1      LEU  68  11.019  -5.811   4.427
  578   HD13  LEU  68          3HD1      LEU  68  10.416  -6.717   5.802
  579   HD21  LEU  68          3HD2      LEU  68   8.980  -5.354   7.093
  580   HD22  LEU  68          1HD2      LEU  68   9.549  -3.841   7.793
  581   HD23  LEU  68          2HD2      LEU  68  10.355  -5.346   8.182
  582    HA   PRO  69           HA       PRO  69  17.091  -4.557   5.227
  583    HB2  PRO  69           1HB      PRO  69  18.791  -2.623   6.020
  584    HB3  PRO  69           2HB      PRO  69  17.847  -2.416   4.526
  585    HG2  PRO  69           1HG      PRO  69  17.289  -1.294   7.269
  586    HG3  PRO  69           2HG      PRO  69  17.284  -0.459   5.698
  587    HD2  PRO  69           1HD      PRO  69  14.962  -1.452   6.888
  588    HD3  PRO  69           2HD      PRO  69  15.145  -1.257   5.143
  589    H    ALA  70           H        ALA  70  16.168  -5.966   7.023
  590    HA   ALA  70           HA       ALA  70  17.994  -6.061   9.264
  591    HB1  ALA  70           3HB      ALA  70  16.306  -5.711  11.032
  592    HB2  ALA  70           1HB      ALA  70  15.084  -5.381   9.801
  593    HB3  ALA  70           2HB      ALA  70  16.439  -4.282  10.020
  594    H    GLY  71           H        GLY  71  16.321  -7.540  10.989
  595    HA2  GLY  71           1HA      GLY  71  15.989 -10.111   9.499
  596    HA3  GLY  71           2HA      GLY  71  16.390  -9.940  11.203
  597    H    ILE  72           H        ILE  72  13.888  -8.432   9.185
  598    HA   ILE  72           HA       ILE  72  11.837  -9.088  11.219
  599    HB   ILE  72           HB       ILE  72  11.772  -7.210   8.832
  600   HG12  ILE  72          1HG1      ILE  72  13.224  -6.579  10.920
  601   HG13  ILE  72          2HG1      ILE  72  12.078  -5.383  10.349
  602   HG21  ILE  72          1HG2      ILE  72   9.669  -7.993  10.873
  603   HG22  ILE  72          2HG2      ILE  72   9.484  -7.841   9.136
  604   HG23  ILE  72          3HG2      ILE  72   9.587  -6.400  10.146
  605   HD11  ILE  72          3HD1      ILE  72  12.298  -6.020  12.935
  606   HD12  ILE  72          1HD1      ILE  72  11.116  -7.239  12.500
  607   HD13  ILE  72          2HD1      ILE  72  10.762  -5.544  12.222
  608    H    GLU  73           H        GLU  73  10.143 -10.362  10.831
  609    HA   GLU  73           HA       GLU  73   9.921 -11.748   8.179
  610    HB2  GLU  73           1HB      GLU  73   9.225 -12.757  10.964
  611    HB3  GLU  73           2HB      GLU  73   8.997 -13.661   9.466
  612    HG2  GLU  73           1HG      GLU  73  11.681 -12.671  10.521
  613    HG3  GLU  73           2HG      GLU  73  11.091 -14.324  10.658
  614    H    MET  74           H        MET  74   8.100 -11.461   7.096
  615    HA   MET  74           HA       MET  74   5.972  -9.778   8.062
  616    HB2  MET  74           1HB      MET  74   4.831 -10.644   5.830
  617    HB3  MET  74           2HB      MET  74   6.271  -9.639   5.697
  618    HG2  MET  74           1HG      MET  74   7.685 -11.568   5.293
  619    HG3  MET  74           2HG      MET  74   6.384 -12.683   5.677
  620    HE1  MET  74           3HE      MET  74   8.075 -13.002   3.218
  621    HE2  MET  74           1HE      MET  74   6.894 -13.311   1.938
  622    HE3  MET  74           2HE      MET  74   6.676 -14.026   3.535
  623    H    VAL  75           H        VAL  75   4.690 -10.530   9.672
  624    HA   VAL  75           HA       VAL  75   4.116 -13.255  10.233
  625    HB   VAL  75           HB       VAL  75   2.454 -10.821  10.945
  626   HG11  VAL  75          1HG1      VAL  75   2.420 -13.621  12.126
  627   HG12  VAL  75          2HG1      VAL  75   1.090 -12.836  11.277
  628   HG13  VAL  75          3HG1      VAL  75   1.603 -12.234  12.846
  629   HG21  VAL  75          3HG2      VAL  75   3.719 -10.730  13.014
  630   HG22  VAL  75          1HG2      VAL  75   4.909 -10.872  11.723
  631   HG23  VAL  75          2HG2      VAL  75   4.494 -12.281  12.679
  632    H    SER  76           H        SER  76   1.592 -10.953   9.224
  633    HA   SER  76           HA       SER  76   0.734 -12.466   6.936
  634    HB2  SER  76           1HB      SER  76   0.007 -13.951   8.803
  635    HB3  SER  76           2HB      SER  76  -0.906 -12.604   9.493
  636    HG   SER  76           HG       SER  76  -1.230 -13.669   6.851
  637    H    ILE  77           H        ILE  77  -1.019 -11.423   5.871
  638    HA   ILE  77           HA       ILE  77  -2.321  -9.642   5.244
  639    HB   ILE  77           HB       ILE  77  -4.055  -9.204   6.783
  640   HG12  ILE  77          1HG1      ILE  77  -2.141  -8.913   9.148
  641   HG13  ILE  77          2HG1      ILE  77  -2.712  -7.561   8.201
  642   HG21  ILE  77          1HG2      ILE  77  -3.429 -11.663   6.989
  643   HG22  ILE  77          2HG2      ILE  77  -4.472 -10.992   8.246
  644   HG23  ILE  77          3HG2      ILE  77  -2.777 -11.263   8.576
  645   HD11  ILE  77          3HD1      ILE  77  -4.370  -9.435   9.898
  646   HD12  ILE  77          1HD1      ILE  77  -5.055  -8.220   8.814
  647   HD13  ILE  77          2HD1      ILE  77  -4.054  -7.728  10.179
  648    HA   PRO  78           HA       PRO  78  -3.679  -7.585   5.594
  649    HB2  PRO  78           1HB      PRO  78  -4.145  -5.035   5.283
  650    HB3  PRO  78           2HB      PRO  78  -3.788  -5.646   6.916
  651    HG2  PRO  78           1HG      PRO  78  -2.034  -4.037   5.107
  652    HG3  PRO  78           2HG      PRO  78  -2.047  -4.142   6.865
  653    HD2  PRO  78           1HD      PRO  78  -0.307  -5.630   5.034
  654    HD3  PRO  78           2HD      PRO  78  -0.304  -5.690   6.815
  655    H    ASP  79           H        ASP  79  -4.846  -7.466   3.735
  656    HA   ASP  79           HA       ASP  79  -3.297  -7.213   1.244
  657    HB2  ASP  79           1HB      ASP  79  -6.244  -7.961   1.391
  658    HB3  ASP  79           2HB      ASP  79  -5.047  -8.415   0.193
  659    H    VAL  80           H        VAL  80  -4.129  -5.915  -0.489
  660    HA   VAL  80           HA       VAL  80  -5.567  -3.461   0.487
  661    HB   VAL  80           HB       VAL  80  -3.526  -3.589  -1.768
  662   HG11  VAL  80          1HG1      VAL  80  -3.589  -1.103  -1.509
  663   HG12  VAL  80          2HG1      VAL  80  -4.847  -1.265  -0.302
  664   HG13  VAL  80          3HG1      VAL  80  -5.153  -1.736  -1.968
  665   HG21  VAL  80          3HG2      VAL  80  -1.986  -2.490  -0.162
  666   HG22  VAL  80          1HG2      VAL  80  -2.463  -4.081   0.415
  667   HG23  VAL  80          2HG2      VAL  80  -3.201  -2.643   1.107
  668    H    THR  81           H        THR  81  -7.423  -3.049  -0.385
  669    HA   THR  81           HA       THR  81  -8.098  -3.949  -3.151
  670    HB   THR  81           HB       THR  81 -10.001  -4.304  -0.776
  671    HG1  THR  81           HG1      THR  81  -8.167  -6.070  -2.000
  672   HG21  THR  81          3HG2      THR  81 -11.033  -4.096  -3.052
  673   HG22  THR  81          1HG2      THR  81 -11.251  -5.709  -2.375
  674   HG23  THR  81          2HG2      THR  81 -10.023  -5.433  -3.614
  675    H    TYR  82           H        TYR  82  -8.788  -2.275  -4.251
  676    HA   TYR  82           HA       TYR  82 -10.463  -0.166  -3.000
  677    HB2  TYR  82           1HB      TYR  82  -9.072   1.624  -3.936
  678    HB3  TYR  82           2HB      TYR  82  -8.133   0.637  -2.822
  679    HD1  TYR  82           HD1      TYR  82  -6.678  -1.282  -3.804
  680    HD2  TYR  82           HD2      TYR  82  -8.253   1.911  -6.226
  681    HE1  TYR  82           HE1      TYR  82  -4.980  -1.746  -5.545
  682    HE2  TYR  82           HE2      TYR  82  -6.547   1.433  -7.947
  683    HH   TYR  82           HH       TYR  82  -4.677  -1.400  -7.960
  684    H    THR  83           H        THR  83 -10.857   1.518  -4.937
  685    HA   THR  83           HA       THR  83 -11.764  -0.079  -7.318
  686    HB   THR  83           HB       THR  83 -13.322   2.152  -5.938
  687    HG1  THR  83           HG1      THR  83 -14.439  -0.298  -5.934
  688   HG21  THR  83          3HG2      THR  83 -15.173   1.333  -7.384
  689   HG22  THR  83          1HG2      THR  83 -14.076   0.190  -8.151
  690   HG23  THR  83          2HG2      THR  83 -13.835   1.925  -8.361
  691    H    LEU  84           H        LEU  84 -10.682   0.591  -9.022
  692    HA   LEU  84           HA       LEU  84  -9.717   3.363  -9.236
  693    HB2  LEU  84           1HB      LEU  84  -8.209   1.422  -9.763
  694    HB3  LEU  84           2HB      LEU  84  -9.237   1.003 -11.105
  695    HG   LEU  84           HG       LEU  84  -8.747   3.182 -12.174
  696   HD11  LEU  84          1HD1      LEU  84  -8.304   4.798 -10.529
  697   HD12  LEU  84          2HD1      LEU  84  -6.685   4.492 -11.115
  698   HD13  LEU  84          3HD1      LEU  84  -7.223   3.747  -9.608
  699   HD21  LEU  84          3HD2      LEU  84  -6.249   2.787 -12.586
  700   HD22  LEU  84          1HD2      LEU  84  -7.283   1.376 -12.818
  701   HD23  LEU  84          2HD2      LEU  84  -6.315   1.535 -11.349
  702    H    LYS  85           H        LYS  85 -10.547   4.835 -10.640
  703    HA   LYS  85           HA       LYS  85 -12.478   4.028 -12.735
  704    HB2  LYS  85           1HB      LYS  85 -13.072   5.804 -10.343
  705    HB3  LYS  85           2HB      LYS  85 -13.920   6.090 -11.862
  706    HG2  LYS  85           1HG      LYS  85 -14.751   3.755 -11.852
  707    HG3  LYS  85           2HG      LYS  85 -13.881   3.436 -10.351
  708    HD2  LYS  85           1HD      LYS  85 -15.238   5.150  -9.192
  709    HD3  LYS  85           2HD      LYS  85 -16.094   5.504 -10.690
  710    HE2  LYS  85           1HE      LYS  85 -16.095   2.810  -9.268
  711    HE3  LYS  85           2HE      LYS  85 -17.421   3.975  -9.252
  712    HZ1  LYS  85           3HZ      LYS  85 -16.802   3.663 -11.900
  713    HZ2  LYS  85           1HZ      LYS  85 -18.131   2.986 -11.091
  714    HZ3  LYS  85           2HZ      LYS  85 -16.700   2.090 -11.268
  715    H    ALA  86           H        ALA  86 -12.995   5.769 -14.180
  716    HA   ALA  86           HA       ALA  86 -10.645   7.006 -15.188
  717    HB1  ALA  86           3HB      ALA  86 -12.505   6.226 -16.615
  718    HB2  ALA  86           1HB      ALA  86 -12.175   7.936 -16.894
  719    HB3  ALA  86           2HB      ALA  86 -13.565   7.447 -15.918
  720    H    LYS  87           H        LYS  87 -10.132   9.187 -15.370
  721    HA   LYS  87           HA       LYS  87 -10.585  10.800 -13.107
  722    HB2  LYS  87           1HB      LYS  87  -8.581  10.909 -14.575
  723    HB3  LYS  87           2HB      LYS  87  -9.556  11.613 -15.850
  724    HG2  LYS  87           1HG      LYS  87  -9.774  13.078 -13.215
  725    HG3  LYS  87           2HG      LYS  87  -8.160  13.110 -13.910
  726    HD2  LYS  87           1HD      LYS  87  -9.022  14.048 -16.003
  727    HD3  LYS  87           2HD      LYS  87 -10.676  13.925 -15.412
  728    HE2  LYS  87           1HE      LYS  87  -9.785  16.240 -15.170
  729    HE3  LYS  87           2HE      LYS  87 -10.178  15.528 -13.607
  730    HZ1  LYS  87           3HZ      LYS  87  -8.043  15.484 -12.993
  731    HZ2  LYS  87           1HZ      LYS  87  -7.831  16.662 -14.196
  732    HZ3  LYS  87           2HZ      LYS  87  -7.486  15.032 -14.533
  733    H    GLU  88           H        GLU  88 -12.189  12.161 -12.613
  734    HA   GLU  88           HA       GLU  88 -13.650  13.700 -14.556
  735    HB2  GLU  88           1HB      GLU  88 -14.696  11.367 -14.756
  736    HB3  GLU  88           2HB      GLU  88 -15.228  11.530 -13.085
  737    HG2  GLU  88           1HG      GLU  88 -17.086  12.180 -14.522
  738    HG3  GLU  88           2HG      GLU  88 -16.479  13.647 -13.763
  739    H    ASP  89           H        ASP  89 -12.436  15.003 -12.873
  740    HA   ASP  89           HA       ASP  89 -13.665  15.219 -10.259
  741    HB2  ASP  89           1HB      ASP  89 -11.497  16.862 -11.582
  742    HB3  ASP  89           2HB      ASP  89 -11.963  16.988  -9.886
  743    HA   PRO  90           HA       PRO  90 -16.454  18.511 -11.617
  744    HB2  PRO  90           1HB      PRO  90 -17.567  19.286  -9.316
  745    HB3  PRO  90           2HB      PRO  90 -17.726  17.579  -9.813
  746    HG2  PRO  90           1HG      PRO  90 -15.680  18.779  -7.924
  747    HG3  PRO  90           2HG      PRO  90 -16.779  17.404  -7.638
  748    HD2  PRO  90           1HD      PRO  90 -14.183  17.011  -8.526
  749    HD3  PRO  90           2HD      PRO  90 -15.509  15.952  -9.004
  750    H    LEU  91           H        LEU  91 -13.812  19.036  -9.458
  751    HA   LEU  91           HA       LEU  91 -13.959  21.856  -9.112
  752    HB2  LEU  91           1HB      LEU  91 -11.460  20.115  -9.149
  753    HB3  LEU  91           2HB      LEU  91 -11.642  21.680  -8.347
  754    HG   LEU  91           HG       LEU  91 -13.165  19.128  -7.627
  755   HD11  LEU  91          1HD1      LEU  91 -11.776  19.162  -5.576
  756   HD12  LEU  91          2HD1      LEU  91 -10.918  20.585  -6.169
  757   HD13  LEU  91          3HD1      LEU  91 -10.764  19.042  -7.013
  758   HD21  LEU  91          3HD2      LEU  91 -13.266  21.960  -6.477
  759   HD22  LEU  91          1HD2      LEU  91 -13.764  20.554  -5.531
  760   HD23  LEU  91          2HD2      LEU  91 -14.606  20.943  -7.017
  761    H    GLU  92           H        GLU  92 -12.608  19.864 -11.669
  762    HA   GLU  92           HA       GLU  92 -12.308  22.269 -13.380
  763    HB2  GLU  92           1HB      GLU  92 -10.092  21.894 -12.260
  764    HB3  GLU  92           2HB      GLU  92 -10.012  20.290 -12.987
  765    HG2  GLU  92           1HG      GLU  92 -10.087  21.311 -15.256
  766    HG3  GLU  92           2HG      GLU  92 -10.206  22.913 -14.535
  767    H    HIS  93           H        HIS  93 -13.526  21.783 -15.069
  768    HA   HIS  93           HA       HIS  93 -14.171  19.108 -15.916
  769    HB2  HIS  93           1HB      HIS  93 -15.371  20.288 -17.761
  770    HB3  HIS  93           2HB      HIS  93 -15.773  20.947 -16.175
  771    HD1  HIS  93           HD1      HIS  93 -13.062  21.659 -18.780
  772    HD2  HIS  93           HD2      HIS  93 -15.668  23.691 -16.237
  773    HE1  HIS  93           HE1      HIS  93 -12.652  24.132 -19.157
  774    HE2  HIS  93           HE2      HIS  93 -14.233  25.383 -17.613
  775    H    HIS  94           H        HIS  94 -13.959  18.610 -18.320
  776    HA   HIS  94           HA       HIS  94 -11.189  18.278 -18.961
  777    HB2  HIS  94           1HB      HIS  94 -13.640  17.870 -20.724
  778    HB3  HIS  94           2HB      HIS  94 -12.022  17.233 -21.040
  779    HD1  HIS  94           HD1      HIS  94 -11.071  15.642 -18.983
  780    HD2  HIS  94           HD2      HIS  94 -15.199  16.154 -19.239
  781    HE1  HIS  94           HE1      HIS  94 -12.109  13.767 -17.634
  782    HE2  HIS  94           HE2      HIS  94 -14.625  14.065 -17.789
  783    H    HIS  95           H        HIS  95 -10.155  18.985 -20.941
  784    HA   HIS  95           HA       HIS  95 -10.318  21.822 -21.308
  785    HB2  HIS  95           1HB      HIS  95  -8.206  20.493 -21.502
  786    HB3  HIS  95           2HB      HIS  95  -8.804  19.779 -22.998
  787    HD1  HIS  95           HD1      HIS  95  -8.920  21.324 -25.094
  788    HD2  HIS  95           HD2      HIS  95  -7.416  23.226 -21.705
  789    HE1  HIS  95           HE1      HIS  95  -7.982  23.545 -25.874
  790    HE2  HIS  95           HE2      HIS  95  -7.059  24.715 -23.818
  791    H    HIS  96           H        HIS  96 -10.776  19.188 -23.696
  792    HA   HIS  96           HA       HIS  96 -11.926  19.114 -25.687
  793    HB2  HIS  96           1HB      HIS  96 -13.853  20.593 -23.853
  794    HB3  HIS  96           2HB      HIS  96 -14.312  20.164 -25.498
  795    HD1  HIS  96           HD1      HIS  96 -12.418  18.113 -22.881
  796    HD2  HIS  96           HD2      HIS  96 -15.856  17.902 -25.228
  797    HE1  HIS  96           HE1      HIS  96 -13.384  15.795 -22.532
  798    HE2  HIS  96           HE2      HIS  96 -15.480  15.653 -23.954
  799    H    HIS  97           H        HIS  97 -10.699  20.212 -27.141
  800    HA   HIS  97           HA       HIS  97 -10.300  22.998 -27.309
  801    HB2  HIS  97           1HB      HIS  97 -10.233  20.923 -29.541
  802    HB3  HIS  97           2HB      HIS  97  -9.505  22.531 -29.610
  803    HD1  HIS  97           HD1      HIS  97  -7.482  22.977 -27.926
  804    HD2  HIS  97           HD2      HIS  97  -8.701  19.000 -28.195
  805    HE1  HIS  97           HE1      HIS  97  -5.639  21.590 -26.878
  806    HE2  HIS  97           HE2      HIS  97  -6.368  19.162 -27.035
  807    H    HIS  98           H        HIS  98 -12.211  24.136 -27.124
  808    HA   HIS  98           HA       HIS  98 -14.597  23.644 -28.587
  809    HB2  HIS  98           1HB      HIS  98 -14.483  25.000 -26.500
  810    HB3  HIS  98           2HB      HIS  98 -13.604  26.256 -27.365
  811    HD1  HIS  98           HD1      HIS  98 -14.968  27.894 -28.739
  812    HD2  HIS  98           HD2      HIS  98 -17.239  24.647 -27.444
  813    HE1  HIS  98           HE1      HIS  98 -17.373  28.415 -29.344
  814    HE2  HIS  98           HE2      HIS  98 -18.770  26.443 -28.562
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1  -4.169   8.865  18.129
    2    H2   MET   1           2H       MET   1  -3.757   8.058  16.691
    3    H3   MET   1           3H       MET   1  -4.777   9.416  16.645
    4    HA   MET   1           HA       MET   1  -2.831  10.382  16.008
    5    HB2  MET   1           1HB      MET   1  -2.765  10.394  19.056
    6    HB3  MET   1           2HB      MET   1  -1.818  11.487  18.046
    7    HG2  MET   1           1HG      MET   1  -3.800  12.709  18.707
    8    HG3  MET   1           2HG      MET   1  -4.039  12.278  17.016
    9    HE1  MET   1           3HE      MET   1  -6.649  12.586  17.092
   10    HE2  MET   1           1HE      MET   1  -6.260  13.274  18.675
   11    HE3  MET   1           2HE      MET   1  -7.594  12.133  18.509
   12    H    LYS   2           H        LYS   2  -2.394   7.657  18.140
   13    HA   LYS   2           HA       LYS   2   0.451   7.535  18.140
   14    HB2  LYS   2           1HB      LYS   2  -1.602   5.303  18.403
   15    HB3  LYS   2           2HB      LYS   2   0.117   5.149  18.782
   16    HG2  LYS   2           1HG      LYS   2  -0.109   6.944  20.497
   17    HG3  LYS   2           2HG      LYS   2  -1.834   7.058  20.137
   18    HD2  LYS   2           1HD      LYS   2  -2.135   4.687  20.820
   19    HD3  LYS   2           2HD      LYS   2  -0.409   4.571  21.174
   20    HE2  LYS   2           1HE      LYS   2  -1.683   4.974  23.249
   21    HE3  LYS   2           2HE      LYS   2  -0.661   6.367  22.888
   22    HZ1  LYS   2           3HZ      LYS   2  -2.984   6.930  23.505
   23    HZ2  LYS   2           1HZ      LYS   2  -3.514   6.152  22.094
   24    HZ3  LYS   2           2HZ      LYS   2  -2.518   7.524  21.982
   25    H    THR   3           H        THR   3  -1.995   6.060  16.029
   26    HA   THR   3           HA       THR   3   0.037   4.907  14.246
   27    HB   THR   3           HB       THR   3  -1.899   3.993  13.035
   28    HG1  THR   3           HG1      THR   3  -3.808   4.819  13.276
   29   HG21  THR   3          3HG2      THR   3  -2.244   3.753  16.051
   30   HG22  THR   3          1HG2      THR   3  -1.126   2.799  15.075
   31   HG23  THR   3          2HG2      THR   3  -2.866   2.624  14.850
   32    H    LEU   4           H        LEU   4   0.326   5.537  12.101
   33    HA   LEU   4           HA       LEU   4   0.203   8.317  11.535
   34    HB2  LEU   4           1HB      LEU   4   0.583   6.001   9.589
   35    HB3  LEU   4           2HB      LEU   4   1.067   7.677   9.327
   36    HG   LEU   4           HG       LEU   4   2.186   5.832  11.482
   37   HD11  LEU   4          1HD1      LEU   4   2.918   5.202   9.210
   38   HD12  LEU   4          2HD1      LEU   4   4.258   5.868  10.139
   39   HD13  LEU   4          3HD1      LEU   4   3.458   6.858   8.919
   40   HD21  LEU   4          3HD2      LEU   4   2.418   8.012  12.402
   41   HD22  LEU   4          1HD2      LEU   4   2.720   8.763  10.834
   42   HD23  LEU   4          2HD2      LEU   4   3.961   7.777  11.604
   43    H    TYR   5           H        TYR   5  -0.714   9.042   9.336
   44    HA   TYR   5           HA       TYR   5  -3.149   7.908   8.353
   45    HB2  TYR   5           1HB      TYR   5  -4.039   8.709  10.526
   46    HB3  TYR   5           2HB      TYR   5  -3.437  10.325  10.185
   47    HD1  TYR   5           HD2      TYR   5  -5.929   7.734   9.161
   48    HD2  TYR   5           HD1      TYR   5  -4.606  11.798   8.570
   49    HE1  TYR   5           HE2      TYR   5  -8.001   8.237   7.893
   50    HE2  TYR   5           HE1      TYR   5  -6.683  12.280   7.302
   51    HH   TYR   5           HH       TYR   5  -9.008   9.729   6.536
   52    H    ASP   6           H        ASP   6  -1.092  10.748   8.739
   53    HA   ASP   6           HA       ASP   6  -2.038  11.948   6.219
   54    HB2  ASP   6           1HB      ASP   6  -1.614  13.386   8.191
   55    HB3  ASP   6           2HB      ASP   6   0.075  12.913   8.178
   56    H    LEU   7           H        LEU   7  -0.058   9.461   6.878
   57    HA   LEU   7           HA       LEU   7   1.289   9.596   4.326
   58    HB2  LEU   7           1HB      LEU   7   3.602   9.527   5.197
   59    HB3  LEU   7           2HB      LEU   7   2.815  11.056   5.554
   60    HG   LEU   7           HG       LEU   7   2.378   9.120   7.788
   61   HD11  LEU   7          1HD1      LEU   7   5.270   9.807   7.178
   62   HD12  LEU   7          2HD1      LEU   7   4.551   8.202   7.077
   63   HD13  LEU   7          3HD1      LEU   7   4.676   9.009   8.638
   64   HD21  LEU   7          3HD2      LEU   7   3.821  11.800   7.758
   65   HD22  LEU   7          1HD2      LEU   7   3.159  10.969   9.169
   66   HD23  LEU   7          2HD2      LEU   7   2.085  11.593   7.927
   67    HA   PRO   8           HA       PRO   8   0.753   5.360   6.377
   68    HB2  PRO   8           1HB      PRO   8  -1.386   4.377   4.977
   69    HB3  PRO   8           2HB      PRO   8  -1.612   5.461   6.369
   70    HG2  PRO   8           1HG      PRO   8  -1.625   6.175   3.426
   71    HG3  PRO   8           2HG      PRO   8  -2.790   6.634   4.685
   72    HD2  PRO   8           1HD      PRO   8  -0.761   8.322   3.913
   73    HD3  PRO   8           2HD      PRO   8  -1.363   8.287   5.582
   74    H    ILE   9           H        ILE   9  -0.531   4.842   3.199
   75    HA   ILE   9           HA       ILE   9   2.002   3.524   2.316
   76    HB   ILE   9           HB       ILE   9  -0.841   3.137   1.283
   77   HG12  ILE   9          1HG1      ILE   9   0.804   1.339   3.132
   78   HG13  ILE   9          2HG1      ILE   9  -0.506   2.373   3.684
   79   HG21  ILE   9          1HG2      ILE   9   1.737   1.577   0.796
   80   HG22  ILE   9          2HG2      ILE   9   0.917   2.591  -0.394
   81   HG23  ILE   9          3HG2      ILE   9   0.148   1.128   0.185
   82   HD11  ILE   9          3HD1      ILE   9  -1.361   0.124   3.389
   83   HD12  ILE   9          1HD1      ILE   9  -0.760   0.064   1.734
   84   HD13  ILE   9          2HD1      ILE   9  -2.072   1.164   2.157
   85    H    VAL  10           H        VAL  10   2.930   4.054   0.406
   86    HA   VAL  10           HA       VAL  10   2.054   6.566  -0.917
   87    HB   VAL  10           HB       VAL  10   4.682   5.055  -1.261
   88   HG11  VAL  10          1HG1      VAL  10   5.465   7.246  -2.164
   89   HG12  VAL  10          2HG1      VAL  10   3.845   7.909  -1.964
   90   HG13  VAL  10          3HG1      VAL  10   4.131   6.613  -3.124
   91   HG21  VAL  10          3HG2      VAL  10   5.616   6.765   0.290
   92   HG22  VAL  10          1HG2      VAL  10   4.392   5.786   1.095
   93   HG23  VAL  10          2HG2      VAL  10   3.999   7.416   0.549
   94    H    LEU  11           H        LEU  11   1.328   6.610  -2.964
   95    HA   LEU  11           HA       LEU  11   0.925   4.040  -4.376
   96    HB2  LEU  11           1HB      LEU  11  -0.889   5.932  -3.873
   97    HB3  LEU  11           2HB      LEU  11  -0.220   6.699  -5.299
   98    HG   LEU  11           HG       LEU  11  -2.112   5.356  -6.016
   99   HD11  LEU  11          1HD1      LEU  11   0.029   5.272  -7.420
  100   HD12  LEU  11          2HD1      LEU  11  -1.144   4.015  -7.712
  101   HD13  LEU  11          3HD1      LEU  11   0.294   3.659  -6.764
  102   HD21  LEU  11          3HD2      LEU  11  -2.660   3.209  -5.329
  103   HD22  LEU  11          1HD2      LEU  11  -1.809   3.711  -3.878
  104   HD23  LEU  11          2HD2      LEU  11  -0.998   2.704  -5.069
  105    H    ARG  12           H        ARG  12   2.501   3.476  -5.713
  106    HA   ARG  12           HA       ARG  12   4.055   5.526  -7.216
  107    HB2  ARG  12           1HB      ARG  12   5.224   3.739  -5.810
  108    HB3  ARG  12           2HB      ARG  12   4.669   2.558  -6.993
  109    HG2  ARG  12           1HG      ARG  12   5.860   3.750  -8.790
  110    HG3  ARG  12           2HG      ARG  12   6.379   4.993  -7.660
  111    HD2  ARG  12           1HD      ARG  12   7.113   2.047  -7.445
  112    HD3  ARG  12           2HD      ARG  12   8.170   3.311  -8.079
  113    HE   ARG  12           HE       ARG  12   7.299   4.126  -5.534
  114   HH11  ARG  12          1HH2      ARG  12   9.256   1.638  -6.984
  115   HH12  ARG  12          2HH2      ARG  12  10.272   1.454  -5.594
  116   HH21  ARG  12          1HH1      ARG  12   8.632   3.873  -3.734
  117   HH22  ARG  12          2HH1      ARG  12   9.920   2.715  -3.759
  118    H    ASN  13           H        ASN  13   4.365   5.351  -9.448
  119    HA   ASN  13           HA       ASN  13   3.680   5.100 -11.604
  120    HB2  ASN  13           1HB      ASN  13   2.916   2.290 -10.701
  121    HB3  ASN  13           2HB      ASN  13   3.200   2.821 -12.356
  122   HD21  ASN  13          2HD2      ASN  13   4.708   1.190  -9.887
  123   HD22  ASN  13          1HD2      ASN  13   6.324   1.547 -10.265
  124    H    LEU  14           H        LEU  14   1.868   6.454 -10.069
  125    HA   LEU  14           HA       LEU  14  -0.754   5.364 -10.161
  126    HB2  LEU  14           1HB      LEU  14   0.201   7.298  -8.689
  127    HB3  LEU  14           2HB      LEU  14  -0.226   8.349 -10.015
  128    HG   LEU  14           HG       LEU  14  -2.249   6.457  -8.682
  129   HD11  LEU  14          1HD1      LEU  14  -1.794   9.399  -8.130
  130   HD12  LEU  14          2HD1      LEU  14  -1.457   8.069  -7.024
  131   HD13  LEU  14          3HD1      LEU  14  -3.119   8.427  -7.486
  132   HD21  LEU  14          3HD2      LEU  14  -2.548   8.747 -10.685
  133   HD22  LEU  14          1HD2      LEU  14  -3.911   8.133  -9.750
  134   HD23  LEU  14          2HD2      LEU  14  -3.073   7.079 -10.863
  135    HA   PRO  15           HA       PRO  15  -1.180   6.077 -14.690
  136    HB2  PRO  15           1HB      PRO  15  -4.056   5.659 -13.914
  137    HB3  PRO  15           2HB      PRO  15  -3.207   4.996 -15.309
  138    HG2  PRO  15           1HG      PRO  15  -3.663   3.434 -13.204
  139    HG3  PRO  15           2HG      PRO  15  -2.077   3.391 -14.001
  140    HD2  PRO  15           1HD      PRO  15  -2.842   4.709 -11.385
  141    HD3  PRO  15           2HD      PRO  15  -1.364   3.860 -11.842
  142    H    GLU  16           H        GLU  16  -1.667   7.932 -15.839
  143    HA   GLU  16           HA       GLU  16  -2.394  10.329 -14.350
  144    HB2  GLU  16           1HB      GLU  16  -1.868  11.497 -16.476
  145    HB3  GLU  16           2HB      GLU  16  -0.569  10.415 -15.967
  146    HG2  GLU  16           1HG      GLU  16  -1.392   8.679 -17.545
  147    HG3  GLU  16           2HG      GLU  16  -2.676   9.763 -18.072
  148    H    ASP  17           H        ASP  17  -3.989   8.190 -16.613
  149    HA   ASP  17           HA       ASP  17  -6.228  10.056 -17.093
  150    HB2  ASP  17           1HB      ASP  17  -7.045   8.172 -18.546
  151    HB3  ASP  17           2HB      ASP  17  -5.444   8.757 -18.988
  152    H    LEU  18           H        LEU  18  -5.395   7.826 -14.734
  153    HA   LEU  18           HA       LEU  18  -8.272   7.375 -13.972
  154    HB2  LEU  18           1HB      LEU  18  -6.080   5.443 -13.176
  155    HB3  LEU  18           2HB      LEU  18  -7.794   5.203 -13.172
  156    HG   LEU  18           HG       LEU  18  -6.179   5.555 -15.731
  157   HD11  LEU  18          1HD1      LEU  18  -7.195   3.010 -14.457
  158   HD12  LEU  18          2HD1      LEU  18  -5.524   3.485 -14.654
  159   HD13  LEU  18          3HD1      LEU  18  -6.492   3.118 -16.064
  160   HD21  LEU  18          3HD2      LEU  18  -8.417   6.139 -16.259
  161   HD22  LEU  18          1HD2      LEU  18  -9.109   4.934 -15.191
  162   HD23  LEU  18          2HD2      LEU  18  -8.354   4.456 -16.709
  163    H    VAL  19           H        VAL  19  -8.757   7.471 -11.769
  164    HA   VAL  19           HA       VAL  19  -6.672   8.448  -9.888
  165    HB   VAL  19           HB       VAL  19  -8.073  10.362  -9.167
  166   HG11  VAL  19          1HG1      VAL  19  -7.600  11.842 -11.038
  167   HG12  VAL  19          2HG1      VAL  19  -7.528  10.495 -12.169
  168   HG13  VAL  19          3HG1      VAL  19  -6.287  10.671 -10.924
  169   HG21  VAL  19          3HG2      VAL  19  -9.842   9.547 -11.524
  170   HG22  VAL  19          1HG2      VAL  19  -9.986  11.083 -10.668
  171   HG23  VAL  19          2HG2      VAL  19 -10.310   9.573  -9.825
  172    H    LEU  20           H        LEU  20  -7.353   8.504  -7.699
  173    HA   LEU  20           HA       LEU  20  -9.061   6.233  -7.009
  174    HB2  LEU  20           1HB      LEU  20  -6.815   7.740  -5.776
  175    HB3  LEU  20           2HB      LEU  20  -8.078   7.466  -4.594
  176    HG   LEU  20           HG       LEU  20  -7.014   5.159  -6.293
  177   HD11  LEU  20          1HD1      LEU  20  -5.911   6.062  -3.616
  178   HD12  LEU  20          2HD1      LEU  20  -5.058   6.132  -5.159
  179   HD13  LEU  20          3HD1      LEU  20  -5.474   4.571  -4.455
  180   HD21  LEU  20          3HD2      LEU  20  -8.264   5.168  -3.521
  181   HD22  LEU  20          1HD2      LEU  20  -7.911   3.760  -4.526
  182   HD23  LEU  20          2HD2      LEU  20  -9.162   4.900  -5.007
  183    H    GLU  21           H        GLU  21 -11.098   6.395  -6.302
  184    HA   GLU  21           HA       GLU  21 -12.510   8.874  -6.299
  185    HB2  GLU  21           1HB      GLU  21 -14.419   7.492  -5.479
  186    HB3  GLU  21           2HB      GLU  21 -13.634   6.793  -6.897
  187    HG2  GLU  21           1HG      GLU  21 -12.364   5.231  -5.451
  188    HG3  GLU  21           2HG      GLU  21 -13.119   5.917  -4.020
  189    H    LYS  22           H        LYS  22 -11.024   6.937  -3.770
  190    HA   LYS  22           HA       LYS  22 -11.462   9.155  -1.888
  191    HB2  LYS  22           1HB      LYS  22 -12.467   6.341  -1.396
  192    HB3  LYS  22           2HB      LYS  22 -12.196   7.469  -0.070
  193    HG2  LYS  22           1HG      LYS  22 -13.802   9.061  -1.144
  194    HG3  LYS  22           2HG      LYS  22 -14.115   7.874  -2.409
  195    HD2  LYS  22           1HD      LYS  22 -14.930   6.261  -0.713
  196    HD3  LYS  22           2HD      LYS  22 -14.616   7.440   0.562
  197    HE2  LYS  22           1HE      LYS  22 -16.572   7.801  -1.744
  198    HE3  LYS  22           2HE      LYS  22 -17.005   7.473  -0.067
  199    HZ1  LYS  22           3HZ      LYS  22 -17.168   9.820  -0.528
  200    HZ2  LYS  22           1HZ      LYS  22 -15.562   9.868  -1.071
  201    HZ3  LYS  22           2HZ      LYS  22 -15.896   9.545   0.563
  202    HA   PRO  23           HA       PRO  23  -7.284   8.325  -0.644
  203    HB2  PRO  23           1HB      PRO  23  -8.201   8.573   2.241
  204    HB3  PRO  23           2HB      PRO  23  -6.849   9.396   1.424
  205    HG2  PRO  23           1HG      PRO  23  -9.100  10.724   1.908
  206    HG3  PRO  23           2HG      PRO  23  -8.273  10.920   0.345
  207    HD2  PRO  23           1HD      PRO  23 -10.750   9.265   0.951
  208    HD3  PRO  23           2HD      PRO  23 -10.388  10.311  -0.436
  209    H    LEU  24           H        LEU  24  -5.941   6.729   0.198
  210    HA   LEU  24           HA       LEU  24  -6.516   4.126   0.084
  211    HB2  LEU  24           1HB      LEU  24  -4.571   5.618   1.855
  212    HB3  LEU  24           2HB      LEU  24  -4.500   3.871   1.746
  213    HG   LEU  24           HG       LEU  24  -4.515   5.444  -0.869
  214   HD11  LEU  24          1HD1      LEU  24  -2.074   5.194   0.911
  215   HD12  LEU  24          2HD1      LEU  24  -2.854   6.677   0.382
  216   HD13  LEU  24          3HD1      LEU  24  -2.024   5.658  -0.791
  217   HD21  LEU  24          3HD2      LEU  24  -3.113   3.577  -1.645
  218   HD22  LEU  24          1HD2      LEU  24  -4.558   2.940  -0.861
  219   HD23  LEU  24          2HD2      LEU  24  -3.016   2.929  -0.008
  220    HA   PRO  25           HA       PRO  25  -9.053   3.081   3.621
  221    HB2  PRO  25           1HB      PRO  25  -8.647   0.415   3.957
  222    HB3  PRO  25           2HB      PRO  25  -9.372   1.039   2.459
  223    HG2  PRO  25           1HG      PRO  25  -6.479   0.333   2.974
  224    HG3  PRO  25           2HG      PRO  25  -7.519  -0.190   1.628
  225    HD2  PRO  25           1HD      PRO  25  -5.801   1.920   1.352
  226    HD3  PRO  25           2HD      PRO  25  -7.369   1.912   0.534
  227    H    GLU  26           H        GLU  26  -5.691   2.061   3.833
  228    HA   GLU  26           HA       GLU  26  -4.172   2.041   5.513
  229    HB2  GLU  26           1HB      GLU  26  -4.957   4.397   5.853
  230    HB3  GLU  26           2HB      GLU  26  -6.123   3.821   7.035
  231    HG2  GLU  26           1HG      GLU  26  -4.268   2.896   8.416
  232    HG3  GLU  26           2HG      GLU  26  -3.107   3.502   7.238
  233    H    VAL  27           H        VAL  27  -3.712   0.493   6.948
  234    HA   VAL  27           HA       VAL  27  -5.659  -0.494   8.911
  235    HB   VAL  27           HB       VAL  27  -5.346  -2.885   8.087
  236   HG11  VAL  27          1HG1      VAL  27  -7.437  -1.502   7.562
  237   HG12  VAL  27          2HG1      VAL  27  -7.102  -2.792   6.415
  238   HG13  VAL  27          3HG1      VAL  27  -6.724  -1.132   5.993
  239   HG21  VAL  27          3HG2      VAL  27  -4.278  -1.467   5.599
  240   HG22  VAL  27          1HG2      VAL  27  -4.614  -3.179   5.739
  241   HG23  VAL  27          2HG2      VAL  27  -3.328  -2.467   6.690
  242    H    SER  28           H        SER  28  -4.639  -2.352  10.163
  243    HA   SER  28           HA       SER  28  -1.943  -1.515  11.007
  244    HB2  SER  28           1HB      SER  28  -2.359  -2.915  12.959
  245    HB3  SER  28           2HB      SER  28  -3.774  -1.901  12.667
  246    HG   SER  28           HG       SER  28  -3.961  -4.338  13.024
  247    H    VAL  29           H        VAL  29  -0.439  -3.297  11.661
  248    HA   VAL  29           HA       VAL  29  -0.459  -5.689   9.877
  249    HB   VAL  29           HB       VAL  29   1.751  -5.249   9.008
  250   HG11  VAL  29          1HG1      VAL  29   1.454  -3.152   7.771
  251   HG12  VAL  29          2HG1      VAL  29   0.293  -2.562   8.954
  252   HG13  VAL  29          3HG1      VAL  29  -0.109  -3.932   7.937
  253   HG21  VAL  29          3HG2      VAL  29   2.908  -4.328  10.980
  254   HG22  VAL  29          1HG2      VAL  29   1.881  -2.895  10.959
  255   HG23  VAL  29          2HG2      VAL  29   3.062  -3.162   9.676
  256    H    THR  30           H        THR  30   0.933  -7.414  10.636
  257    HA   THR  30           HA       THR  30   1.743  -7.143  13.521
  258    HB   THR  30           HB       THR  30   0.885  -9.727  12.134
  259    HG1  THR  30           HG1      THR  30  -0.687  -8.101  13.838
  260   HG21  THR  30          3HG2      THR  30   2.226  -9.837  14.305
  261   HG22  THR  30          1HG2      THR  30   0.609 -10.519  14.443
  262   HG23  THR  30          2HG2      THR  30   0.948  -8.911  15.076
  263    H    ILE  31           H        ILE  31   3.870  -7.299  13.837
  264    HA   ILE  31           HA       ILE  31   5.603  -8.858  11.979
  265    HB   ILE  31           HB       ILE  31   6.159  -6.230  13.382
  266   HG12  ILE  31          1HG1      ILE  31   4.734  -5.995  11.373
  267   HG13  ILE  31          2HG1      ILE  31   6.327  -5.319  11.078
  268   HG21  ILE  31          1HG2      ILE  31   8.332  -6.277  12.143
  269   HG22  ILE  31          2HG2      ILE  31   7.973  -7.929  11.639
  270   HG23  ILE  31          3HG2      ILE  31   8.231  -7.559  13.343
  271   HD11  ILE  31          3HD1      ILE  31   5.016  -7.720   9.868
  272   HD12  ILE  31          1HD1      ILE  31   6.767  -7.779  10.043
  273   HD13  ILE  31          2HD1      ILE  31   6.020  -6.494   9.113
  274    H    ARG  32           H        ARG  32   7.423  -9.832  12.894
  275    HA   ARG  32           HA       ARG  32   7.362 -10.295  15.853
  276    HB2  ARG  32           1HB      ARG  32   8.040 -12.705  15.264
  277    HB3  ARG  32           2HB      ARG  32   6.362 -12.281  14.934
  278    HG2  ARG  32           1HG      ARG  32   6.876 -11.948  12.544
  279    HG3  ARG  32           2HG      ARG  32   8.567 -12.278  12.836
  280    HD2  ARG  32           1HD      ARG  32   7.427 -14.284  11.951
  281    HD3  ARG  32           2HD      ARG  32   8.030 -14.561  13.589
  282    HE   ARG  32           HE       ARG  32   5.335 -13.596  13.641
  283   HH11  ARG  32          1HH2      ARG  32   7.262 -16.413  12.998
  284   HH12  ARG  32          2HH2      ARG  32   5.992 -17.530  13.371
  285   HH21  ARG  32          1HH1      ARG  32   3.678 -15.061  14.127
  286   HH22  ARG  32          2HH1      ARG  32   3.966 -16.765  14.010
  287    H    ALA  33           H        ALA  33   9.197  -9.539  16.653
  288    HA   ALA  33           HA       ALA  33  11.762 -10.426  15.746
  289    HB1  ALA  33           3HB      ALA  33  11.369  -8.713  14.004
  290    HB2  ALA  33           1HB      ALA  33  12.676  -8.242  15.083
  291    HB3  ALA  33           2HB      ALA  33  11.094  -7.507  15.254
  292    H    TYR  34           H        TYR  34  13.504  -8.951  16.886
  293    HA   TYR  34           HA       TYR  34  13.022  -9.240  19.682
  294    HB2  TYR  34           1HB      TYR  34  15.304  -8.069  18.062
  295    HB3  TYR  34           2HB      TYR  34  15.352  -8.100  19.811
  296    HD1  TYR  34           HD1      TYR  34  15.439 -10.262  21.058
  297    HD2  TYR  34           HD2      TYR  34  15.496 -10.170  16.747
  298    HE1  TYR  34           HE1      TYR  34  16.188 -12.625  21.008
  299    HE2  TYR  34           HE2      TYR  34  16.248 -12.532  16.717
  300    HH   TYR  34           HH       TYR  34  15.941 -14.580  18.565
  301    HA   PRO  35           HA       PRO  35  11.416  -5.134  20.519
  302    HB2  PRO  35           1HB      PRO  35  12.028  -4.757  23.154
  303    HB3  PRO  35           2HB      PRO  35  10.828  -5.960  22.627
  304    HG2  PRO  35           1HG      PRO  35  13.744  -6.395  23.292
  305    HG3  PRO  35           2HG      PRO  35  12.325  -7.308  23.863
  306    HD2  PRO  35           1HD      PRO  35  13.831  -8.224  21.777
  307    HD3  PRO  35           2HD      PRO  35  12.065  -8.450  21.798
  308    H    GLU  36           H        GLU  36  14.788  -5.810  21.061
  309    HA   GLU  36           HA       GLU  36  15.733  -3.193  21.632
  310    HB2  GLU  36           1HB      GLU  36  17.924  -4.125  21.374
  311    HB3  GLU  36           2HB      GLU  36  16.918  -5.471  21.908
  312    HG2  GLU  36           1HG      GLU  36  16.648  -6.064  19.394
  313    HG3  GLU  36           2HG      GLU  36  17.963  -4.928  19.103
  314    H    ILE  37           H        ILE  37  15.252  -4.915  18.572
  315    HA   ILE  37           HA       ILE  37  16.225  -2.614  16.999
  316    HB   ILE  37           HB       ILE  37  15.816  -3.961  15.001
  317   HG12  ILE  37          1HG1      ILE  37  14.662  -6.021  16.927
  318   HG13  ILE  37          2HG1      ILE  37  13.769  -5.163  15.692
  319   HG21  ILE  37          1HG2      ILE  37  17.579  -5.560  15.341
  320   HG22  ILE  37          2HG2      ILE  37  17.168  -5.802  17.024
  321   HG23  ILE  37          3HG2      ILE  37  17.932  -4.297  16.518
  322   HD11  ILE  37          3HD1      ILE  37  14.303  -6.723  14.157
  323   HD12  ILE  37          1HD1      ILE  37  15.052  -7.661  15.444
  324   HD13  ILE  37          2HD1      ILE  37  16.022  -6.574  14.455
  325    H    LEU  38           H        LEU  38  13.175  -4.105  17.892
  326    HA   LEU  38           HA       LEU  38  11.561  -2.544  16.076
  327    HB2  LEU  38           1HB      LEU  38  10.934  -4.063  18.588
  328    HB3  LEU  38           2HB      LEU  38   9.674  -3.151  17.804
  329    HG   LEU  38           HG       LEU  38  11.293  -5.283  16.314
  330   HD11  LEU  38          1HD1      LEU  38  10.250  -6.443  18.178
  331   HD12  LEU  38          2HD1      LEU  38   9.308  -6.817  16.739
  332   HD13  LEU  38          3HD1      LEU  38   8.708  -5.637  17.899
  333   HD21  LEU  38          3HD2      LEU  38  10.016  -3.734  14.852
  334   HD22  LEU  38          1HD2      LEU  38   8.557  -4.018  15.793
  335   HD23  LEU  38          2HD2      LEU  38   9.259  -5.311  14.826
  336    H    ASN  39           H        ASN  39  12.763  -2.023  19.323
  337    HA   ASN  39           HA       ASN  39  11.250   0.412  19.784
  338    HB2  ASN  39           1HB      ASN  39  11.990  -1.110  21.611
  339    HB3  ASN  39           2HB      ASN  39  13.668  -0.727  21.245
  340   HD21  ASN  39          2HD2      ASN  39  14.413   0.724  22.818
  341   HD22  ASN  39          1HD2      ASN  39  13.529   2.039  23.426
  342    H    ASN  40           H        ASN  40  13.981  -0.403  17.986
  343    HA   ASN  40           HA       ASN  40  15.187   2.324  18.129
  344    HB2  ASN  40           1HB      ASN  40  16.651   0.323  18.556
  345    HB3  ASN  40           2HB      ASN  40  16.333  -0.214  16.915
  346   HD21  ASN  40          2HD2      ASN  40  18.622   0.054  16.344
  347   HD22  ASN  40          1HD2      ASN  40  19.285   1.601  16.120
  348    H    LEU  41           H        LEU  41  13.801  -0.067  15.922
  349    HA   LEU  41           HA       LEU  41  14.369   1.361  13.531
  350    HB2  LEU  41           1HB      LEU  41  13.269  -1.184  14.137
  351    HB3  LEU  41           2HB      LEU  41  11.951  -0.391  13.339
  352    HG   LEU  41           HG       LEU  41  14.773  -0.657  12.210
  353   HD11  LEU  41          1HD1      LEU  41  12.245  -2.219  11.582
  354   HD12  LEU  41          2HD1      LEU  41  13.720  -2.827  12.340
  355   HD13  LEU  41          3HD1      LEU  41  13.749  -2.312  10.657
  356   HD21  LEU  41          3HD2      LEU  41  12.185   0.435  11.027
  357   HD22  LEU  41          1HD2      LEU  41  13.603   0.031  10.059
  358   HD23  LEU  41          2HD2      LEU  41  13.701   1.284  11.279
  359    H    THR  42           H        THR  42  13.102   2.733  12.336
  360    HA   THR  42           HA       THR  42  10.697   3.914  13.673
  361    HB   THR  42           HB       THR  42  12.462   5.563  13.676
  362    HG1  THR  42           HG1      THR  42  11.124   6.268  11.336
  363   HG21  THR  42          3HG2      THR  42  13.957   4.512  12.008
  364   HG22  THR  42          1HG2      THR  42  13.652   6.202  11.607
  365   HG23  THR  42          2HG2      THR  42  12.814   4.928  10.729
  366    H    LYS  43           H        LYS  43   9.197   4.914  12.157
  367    HA   LYS  43           HA       LYS  43   8.330   3.011  10.198
  368    HB2  LYS  43           1HB      LYS  43   7.399   5.845  10.726
  369    HB3  LYS  43           2HB      LYS  43   6.542   4.667   9.742
  370    HG2  LYS  43           1HG      LYS  43   5.613   3.621  11.592
  371    HG3  LYS  43           2HG      LYS  43   7.163   3.485  12.407
  372    HD2  LYS  43           1HD      LYS  43   5.601   6.104  12.359
  373    HD3  LYS  43           2HD      LYS  43   5.339   4.887  13.599
  374    HE2  LYS  43           1HE      LYS  43   8.028   6.190  13.024
  375    HE3  LYS  43           2HE      LYS  43   6.949   6.641  14.341
  376    HZ1  LYS  43           3HZ      LYS  43   8.679   4.353  14.081
  377    HZ2  LYS  43           1HZ      LYS  43   7.118   3.977  14.623
  378    HZ3  LYS  43           2HZ      LYS  43   8.062   5.103  15.476
  379    H    GLU  44           H        GLU  44  10.059   6.071  10.010
  380    HA   GLU  44           HA       GLU  44   9.800   6.597   7.255
  381    HB2  GLU  44           1HB      GLU  44  12.101   7.289   9.121
  382    HB3  GLU  44           2HB      GLU  44  11.769   8.066   7.571
  383    HG2  GLU  44           1HG      GLU  44   9.885   8.075   9.967
  384    HG3  GLU  44           2HG      GLU  44  10.928   9.411   9.498
  385    H    GLN  45           H        GLN  45  11.673   4.225   8.911
  386    HA   GLN  45           HA       GLN  45  13.596   3.804   6.751
  387    HB2  GLN  45           1HB      GLN  45  13.073   2.577   9.433
  388    HB3  GLN  45           2HB      GLN  45  14.041   1.655   8.286
  389    HG2  GLN  45           1HG      GLN  45  15.636   3.539   8.110
  390    HG3  GLN  45           2HG      GLN  45  14.675   4.478   9.243
  391   HE21  GLN  45          2HE2      GLN  45  15.990   4.517  11.118
  392   HE22  GLN  45          1HE2      GLN  45  16.622   3.128  11.864
  393    H    ILE  46           H        ILE  46  10.596   2.325   7.887
  394    HA   ILE  46           HA       ILE  46  10.778  -0.018   6.274
  395    HB   ILE  46           HB       ILE  46   8.197   1.280   7.276
  396   HG12  ILE  46          1HG1      ILE  46   9.713   1.229   9.192
  397   HG13  ILE  46          2HG1      ILE  46   8.542  -0.061   9.381
  398   HG21  ILE  46          1HG2      ILE  46   7.981  -0.682   5.766
  399   HG22  ILE  46          2HG2      ILE  46   7.405  -1.054   7.382
  400   HG23  ILE  46          3HG2      ILE  46   8.980  -1.637   6.848
  401   HD11  ILE  46          3HD1      ILE  46  10.571  -1.077   9.959
  402   HD12  ILE  46          1HD1      ILE  46  11.471  -0.235   8.705
  403   HD13  ILE  46          2HD1      ILE  46  10.404  -1.573   8.281
  404    H    SER  47           H        SER  47  10.353  -0.284   4.162
  405    HA   SER  47           HA       SER  47   9.394   1.994   2.529
  406    HB2  SER  47           1HB      SER  47  11.493   0.762   1.950
  407    HB3  SER  47           2HB      SER  47  10.526  -0.661   1.637
  408    HG   SER  47           HG       SER  47   9.948   1.840   0.463
  409    H    LEU  48           H        LEU  48   7.220   2.054   2.403
  410    HA   LEU  48           HA       LEU  48   5.764  -0.433   1.645
  411    HB2  LEU  48           1HB      LEU  48   5.378   1.177   4.050
  412    HB3  LEU  48           2HB      LEU  48   3.933   1.333   3.085
  413    HG   LEU  48           HG       LEU  48   3.834  -0.546   4.763
  414   HD11  LEU  48          1HD1      LEU  48   2.908  -2.231   3.209
  415   HD12  LEU  48          2HD1      LEU  48   3.648  -1.378   1.862
  416   HD13  LEU  48          3HD1      LEU  48   2.393  -0.595   2.802
  417   HD21  LEU  48          3HD2      LEU  48   5.567  -2.380   3.122
  418   HD22  LEU  48          1HD2      LEU  48   5.324  -2.295   4.864
  419   HD23  LEU  48          2HD2      LEU  48   6.424  -1.184   4.072
  420    H    TRP  49           H        TRP  49   4.944  -0.286  -0.281
  421    HA   TRP  49           HA       TRP  49   3.364   1.984  -1.097
  422    HB2  TRP  49           1HB      TRP  49   4.693   2.741  -2.937
  423    HB3  TRP  49           2HB      TRP  49   5.832   2.573  -1.604
  424    HD1  TRP  49           HD1      TRP  49   5.158   1.329  -5.043
  425    HE1  TRP  49           HE1      TRP  49   6.878  -0.449  -5.726
  426    HE3  TRP  49           HE3      TRP  49   7.307   0.462  -0.518
  427    HZ2  TRP  49           HZ2      TRP  49   8.892  -2.060  -4.495
  428    HZ3  TRP  49           HZ3      TRP  49   9.112  -1.220  -0.290
  429    HH2  TRP  49           HH2      TRP  49   9.914  -2.476  -2.271
  430    H    ILE  50           H        ILE  50   2.910   1.537  -3.643
  431    HA   ILE  50           HA       ILE  50   2.447  -1.356  -4.126
  432    HB   ILE  50           HB       ILE  50   0.201   0.716  -4.186
  433   HG12  ILE  50          1HG1      ILE  50   0.566  -1.647  -2.277
  434   HG13  ILE  50          2HG1      ILE  50   0.882   0.022  -1.852
  435   HG21  ILE  50          1HG2      ILE  50   0.285  -2.276  -4.878
  436   HG22  ILE  50          2HG2      ILE  50  -0.240  -0.946  -5.913
  437   HG23  ILE  50          3HG2      ILE  50  -1.230  -1.435  -4.563
  438   HD11  ILE  50          3HD1      ILE  50  -1.785  -1.037  -2.730
  439   HD12  ILE  50          1HD1      ILE  50  -1.434   0.629  -2.280
  440   HD13  ILE  50          2HD1      ILE  50  -1.329  -0.655  -1.074
  441    H    ASP  51           H        ASP  51   1.724  -1.782  -6.303
  442    HA   ASP  51           HA       ASP  51   2.744   0.201  -8.298
  443    HB2  ASP  51           1HB      ASP  51   3.284  -1.781  -9.657
  444    HB3  ASP  51           2HB      ASP  51   4.084  -1.860  -8.097
  445    H    ALA  52           H        ALA  52   0.951   1.233  -9.065
  446    HA   ALA  52           HA       ALA  52  -1.557  -0.224  -9.591
  447    HB1  ALA  52           3HB      ALA  52  -2.271   2.112 -10.396
  448    HB2  ALA  52           1HB      ALA  52  -0.699   2.675  -9.800
  449    HB3  ALA  52           2HB      ALA  52  -1.869   1.955  -8.692
  450    H    THR  53           H        THR  53   1.306   0.024 -11.182
  451    HA   THR  53           HA       THR  53   0.431   0.526 -13.880
  452    HB   THR  53           HB       THR  53   2.782   0.803 -13.664
  453    HG1  THR  53           HG1      THR  53   3.625  -1.321 -14.597
  454   HG21  THR  53          3HG2      THR  53   4.243  -0.966 -12.606
  455   HG22  THR  53          1HG2      THR  53   2.780  -1.792 -12.074
  456   HG23  THR  53          2HG2      THR  53   3.151  -0.170 -11.476
  457    H    GLY  54           H        GLY  54   0.496  -1.124 -15.574
  458    HA2  GLY  54           1HA      GLY  54  -0.225  -3.099 -16.529
  459    HA3  GLY  54           2HA      GLY  54   0.174  -3.915 -15.020
  460    H    LYS  55           H        LYS  55  -1.522  -2.538 -13.263
  461    HA   LYS  55           HA       LYS  55  -3.939  -3.948 -13.506
  462    HB2  LYS  55           1HB      LYS  55  -3.063  -1.595 -11.800
  463    HB3  LYS  55           2HB      LYS  55  -4.739  -2.114 -11.738
  464    HG2  LYS  55           1HG      LYS  55  -3.589  -3.222  -9.922
  465    HG3  LYS  55           2HG      LYS  55  -3.913  -4.451 -11.143
  466    HD2  LYS  55           1HD      LYS  55  -1.576  -4.216 -11.982
  467    HD3  LYS  55           2HD      LYS  55  -1.267  -2.985 -10.759
  468    HE2  LYS  55           1HE      LYS  55  -0.419  -5.187 -10.022
  469    HE3  LYS  55           2HE      LYS  55  -1.748  -4.664  -8.984
  470    HZ1  LYS  55           3HZ      LYS  55  -2.025  -6.480 -11.319
  471    HZ2  LYS  55           1HZ      LYS  55  -3.259  -6.031 -10.246
  472    HZ3  LYS  55           2HZ      LYS  55  -1.965  -6.986  -9.700
  473    H    ALA  56           H        ALA  56  -6.085  -3.169 -13.811
  474    HA   ALA  56           HA       ALA  56  -6.365  -0.871 -15.702
  475    HB1  ALA  56           3HB      ALA  56  -6.588  -3.069 -16.832
  476    HB2  ALA  56           1HB      ALA  56  -8.121  -2.196 -16.815
  477    HB3  ALA  56           2HB      ALA  56  -7.848  -3.530 -15.690
  478    H    VAL  57           H        VAL  57  -8.770  -0.315 -15.848
  479    HA   VAL  57           HA       VAL  57  -9.588   0.771 -13.385
  480    HB   VAL  57           HB       VAL  57 -11.358   0.316 -15.843
  481   HG11  VAL  57          1HG1      VAL  57 -12.466   2.399 -15.055
  482   HG12  VAL  57          2HG1      VAL  57 -11.358   2.468 -13.684
  483   HG13  VAL  57          3HG1      VAL  57 -12.523   1.153 -13.807
  484   HG21  VAL  57          3HG2      VAL  57  -9.234   1.354 -16.571
  485   HG22  VAL  57          1HG2      VAL  57  -9.378   2.549 -15.295
  486   HG23  VAL  57          2HG2      VAL  57 -10.527   2.544 -16.618
  487    H    GLY  58           H        GLY  58 -11.142   0.163 -11.948
  488    HA2  GLY  58           1HA      GLY  58 -13.158  -1.193 -11.440
  489    HA3  GLY  58           2HA      GLY  58 -12.345  -2.574 -12.157
  490    H    GLU  59           H        GLU  59 -13.096  -3.199  -9.832
  491    HA   GLU  59           HA       GLU  59 -11.066  -2.497  -7.808
  492    HB2  GLU  59           1HB      GLU  59 -12.629  -3.654  -6.222
  493    HB3  GLU  59           2HB      GLU  59 -13.349  -2.271  -7.046
  494    HG2  GLU  59           1HG      GLU  59 -14.429  -3.807  -8.680
  495    HG3  GLU  59           2HG      GLU  59 -13.737  -5.186  -7.837
  496    H    HIS  60           H        HIS  60  -9.482  -3.777  -7.260
  497    HA   HIS  60           HA       HIS  60  -9.647  -6.698  -7.612
  498    HB2  HIS  60           1HB      HIS  60  -7.410  -4.986  -8.775
  499    HB3  HIS  60           2HB      HIS  60  -7.476  -6.752  -8.785
  500    HD1  HIS  60           HD1      HIS  60  -8.873  -3.724 -10.458
  501    HD2  HIS  60           HD2      HIS  60  -9.465  -7.849 -10.563
  502    HE1  HIS  60           HE1      HIS  60 -10.298  -4.191 -12.499
  503    HE2  HIS  60           HE2      HIS  60 -10.668  -6.701 -12.576
  504    H    THR  61           H        THR  61  -8.210  -7.835  -6.357
  505    HA   THR  61           HA       THR  61  -6.982  -6.350  -4.100
  506    HB   THR  61           HB       THR  61  -7.971  -9.219  -4.140
  507    HG1  THR  61           HG1      THR  61  -9.827  -8.332  -3.840
  508   HG21  THR  61          3HG2      THR  61  -6.198  -8.818  -2.456
  509   HG22  THR  61          1HG2      THR  61  -7.761  -8.998  -1.664
  510   HG23  THR  61          2HG2      THR  61  -7.065  -7.396  -1.876
  511    H    VAL  62           H        VAL  62  -4.817  -6.554  -3.774
  512    HA   VAL  62           HA       VAL  62  -3.314  -8.790  -5.021
  513    HB   VAL  62           HB       VAL  62  -1.664  -7.206  -5.998
  514   HG11  VAL  62          1HG1      VAL  62  -4.485  -6.632  -7.022
  515   HG12  VAL  62          2HG1      VAL  62  -3.577  -8.099  -7.388
  516   HG13  VAL  62          3HG1      VAL  62  -2.987  -6.537  -7.936
  517   HG21  VAL  62          3HG2      VAL  62  -2.058  -5.240  -4.531
  518   HG22  VAL  62          1HG2      VAL  62  -3.686  -5.064  -5.186
  519   HG23  VAL  62          2HG2      VAL  62  -2.284  -4.784  -6.215
  520    H    LYS  63           H        LYS  63  -0.908  -8.445  -4.499
  521    HA   LYS  63           HA       LYS  63  -0.709  -8.276  -1.568
  522    HB2  LYS  63           1HB      LYS  63   1.290  -9.214  -3.655
  523    HB3  LYS  63           2HB      LYS  63   1.490  -9.348  -1.905
  524    HG2  LYS  63           1HG      LYS  63  -0.666 -10.725  -1.854
  525    HG3  LYS  63           2HG      LYS  63  -0.631 -10.731  -3.618
  526    HD2  LYS  63           1HD      LYS  63   1.564 -11.831  -1.809
  527    HD3  LYS  63           2HD      LYS  63   0.361 -12.804  -2.647
  528    HE2  LYS  63           1HE      LYS  63   1.258 -11.761  -4.845
  529    HE3  LYS  63           2HE      LYS  63   2.635 -11.208  -3.884
  530    HZ1  LYS  63           3HZ      LYS  63   3.490 -13.214  -4.071
  531    HZ2  LYS  63           1HZ      LYS  63   2.128 -13.768  -4.917
  532    HZ3  LYS  63           2HZ      LYS  63   2.170 -13.864  -3.221
  533    H    ILE  64           H        ILE  64   0.765  -7.026  -0.501
  534    HA   ILE  64           HA       ILE  64   1.705  -4.554  -1.900
  535    HB   ILE  64           HB       ILE  64   1.282  -5.066   1.081
  536   HG12  ILE  64          1HG1      ILE  64  -0.668  -3.421   0.732
  537   HG13  ILE  64          2HG1      ILE  64  -0.447  -3.625  -0.999
  538   HG21  ILE  64          1HG2      ILE  64   2.995  -3.361   0.739
  539   HG22  ILE  64          2HG2      ILE  64   1.502  -2.545   1.198
  540   HG23  ILE  64          3HG2      ILE  64   2.015  -2.542  -0.482
  541   HD11  ILE  64          3HD1      ILE  64  -0.803  -6.157   0.594
  542   HD12  ILE  64          1HD1      ILE  64  -1.432  -5.705  -0.993
  543   HD13  ILE  64          2HD1      ILE  64  -2.185  -5.082   0.461
  544    H    TYR  65           H        TYR  65   3.851  -4.344  -2.210
  545    HA   TYR  65           HA       TYR  65   5.757  -6.317  -1.483
  546    HB2  TYR  65           1HB      TYR  65   6.195  -3.425  -2.329
  547    HB3  TYR  65           2HB      TYR  65   7.466  -4.638  -2.224
  548    HD1  TYR  65           HD1      TYR  65   7.167  -6.846  -3.575
  549    HD2  TYR  65           HD2      TYR  65   4.929  -3.252  -4.412
  550    HE1  TYR  65           HE1      TYR  65   6.677  -7.668  -5.862
  551    HE2  TYR  65           HE2      TYR  65   4.462  -4.097  -6.688
  552    HH   TYR  65           HH       TYR  65   5.939  -7.044  -7.914
  553    H    TRP  66           H        TRP  66   7.515  -6.141  -0.032
  554    HA   TRP  66           HA       TRP  66   7.437  -4.087   2.080
  555    HB2  TRP  66           1HB      TRP  66   6.970  -5.543   3.905
  556    HB3  TRP  66           2HB      TRP  66   5.832  -6.058   2.666
  557    HD1  TRP  66           HD1      TRP  66   8.564  -7.342   4.833
  558    HE1  TRP  66           HE1      TRP  66   9.123  -9.778   4.252
  559    HE3  TRP  66           HE3      TRP  66   5.979  -7.811   0.457
  560    HZ2  TRP  66           HZ2      TRP  66   8.551 -11.692   2.193
  561    HZ3  TRP  66           HZ3      TRP  66   6.005  -9.951  -0.799
  562    HH2  TRP  66           HH2      TRP  66   7.286 -11.892   0.065
  563    H    GLN  67           H        GLN  67   9.396  -3.663   2.917
  564    HA   GLN  67           HA       GLN  67  11.656  -5.559   2.499
  565    HB2  GLN  67           1HB      GLN  67  11.582  -3.942   0.573
  566    HB3  GLN  67           2HB      GLN  67  11.820  -2.632   1.715
  567    HG2  GLN  67           1HG      GLN  67  13.973  -3.639   2.444
  568    HG3  GLN  67           2HG      GLN  67  13.733  -4.959   1.303
  569   HE21  GLN  67          2HE2      GLN  67  16.010  -3.214   1.173
  570   HE22  GLN  67          1HE2      GLN  67  15.899  -2.311  -0.260
  571    H    LEU  68           H        LEU  68  12.770  -5.773   4.270
  572    HA   LEU  68           HA       LEU  68  12.669  -3.674   6.368
  573    HB2  LEU  68           1HB      LEU  68  13.245  -6.500   7.191
  574    HB3  LEU  68           2HB      LEU  68  12.362  -5.229   8.026
  575    HG   LEU  68           HG       LEU  68  10.776  -6.942   7.399
  576   HD11  LEU  68          1HD1      LEU  68   9.147  -5.547   6.879
  577   HD12  LEU  68          2HD1      LEU  68   9.768  -5.217   5.279
  578   HD13  LEU  68          3HD1      LEU  68  10.343  -4.284   6.658
  579   HD21  LEU  68          3HD2      LEU  68  12.385  -7.591   5.228
  580   HD22  LEU  68          1HD2      LEU  68  10.991  -6.850   4.443
  581   HD23  LEU  68          2HD2      LEU  68  10.772  -8.208   5.520
  582    HA   PRO  69           HA       PRO  69  17.134  -3.872   5.543
  583    HB2  PRO  69           1HB      PRO  69  17.966  -1.618   6.754
  584    HB3  PRO  69           2HB      PRO  69  16.860  -1.515   5.364
  585    HG2  PRO  69           1HG      PRO  69  16.149  -1.459   8.306
  586    HG3  PRO  69           2HG      PRO  69  15.704  -0.283   7.043
  587    HD2  PRO  69           1HD      PRO  69  14.013  -2.321   7.771
  588    HD3  PRO  69           2HD      PRO  69  14.077  -1.720   6.090
  589    H    ALA  70           H        ALA  70  16.161  -5.648   7.471
  590    HA   ALA  70           HA       ALA  70  18.492  -5.948   9.181
  591    HB1  ALA  70           3HB      ALA  70  17.082  -4.303  10.428
  592    HB2  ALA  70           1HB      ALA  70  17.313  -5.810  11.312
  593    HB3  ALA  70           2HB      ALA  70  15.789  -5.496  10.478
  594    H    GLY  71           H        GLY  71  16.830  -7.582  11.055
  595    HA2  GLY  71           1HA      GLY  71  16.550 -10.057   9.386
  596    HA3  GLY  71           2HA      GLY  71  17.055 -10.005  11.069
  597    H    ILE  72           H        ILE  72  14.377  -8.448   9.348
  598    HA   ILE  72           HA       ILE  72  12.461  -9.441  11.404
  599    HB   ILE  72           HB       ILE  72  12.268  -7.176   9.403
  600   HG12  ILE  72          1HG1      ILE  72  12.539  -7.078  12.442
  601   HG13  ILE  72          2HG1      ILE  72  13.888  -6.842  11.346
  602   HG21  ILE  72          1HG2      ILE  72  10.020  -8.129   9.907
  603   HG22  ILE  72          2HG2      ILE  72  10.202  -6.554  10.644
  604   HG23  ILE  72          3HG2      ILE  72  10.374  -8.005  11.630
  605   HD11  ILE  72          3HD1      ILE  72  13.279  -4.734  10.828
  606   HD12  ILE  72          1HD1      ILE  72  12.376  -4.823  12.333
  607   HD13  ILE  72          2HD1      ILE  72  11.550  -5.064  10.800
  608    H    GLU  73           H        GLU  73  10.756 -10.646  10.864
  609    HA   GLU  73           HA       GLU  73  10.497 -11.655   8.061
  610    HB2  GLU  73           1HB      GLU  73   9.561 -12.871  10.683
  611    HB3  GLU  73           2HB      GLU  73   9.358 -13.593   9.088
  612    HG2  GLU  73           1HG      GLU  73  11.832 -13.654   8.810
  613    HG3  GLU  73           2HG      GLU  73  12.027 -12.957  10.418
  614    H    MET  74           H        MET  74   8.356 -12.049   7.280
  615    HA   MET  74           HA       MET  74   6.387  -9.965   8.149
  616    HB2  MET  74           1HB      MET  74   5.418 -10.221   5.915
  617    HB3  MET  74           2HB      MET  74   7.137  -9.850   5.809
  618    HG2  MET  74           1HG      MET  74   7.205 -11.650   4.330
  619    HG3  MET  74           2HG      MET  74   7.228 -12.643   5.777
  620    HE1  MET  74           3HE      MET  74   4.936 -14.442   3.139
  621    HE2  MET  74           1HE      MET  74   6.423 -14.524   4.094
  622    HE3  MET  74           2HE      MET  74   6.278 -13.360   2.779
  623    H    VAL  75           H        VAL  75   4.910 -10.725   9.499
  624    HA   VAL  75           HA       VAL  75   4.262 -13.455   9.921
  625    HB   VAL  75           HB       VAL  75   2.551 -11.013  10.523
  626   HG11  VAL  75          1HG1      VAL  75   2.434 -13.835  11.656
  627   HG12  VAL  75          2HG1      VAL  75   1.189 -13.061  10.679
  628   HG13  VAL  75          3HG1      VAL  75   1.527 -12.465  12.295
  629   HG21  VAL  75          3HG2      VAL  75   4.857 -10.993  11.525
  630   HG22  VAL  75          1HG2      VAL  75   4.503 -12.526  12.302
  631   HG23  VAL  75          2HG2      VAL  75   3.600 -11.083  12.739
  632    H    SER  76           H        SER  76   1.774 -11.177   8.819
  633    HA   SER  76           HA       SER  76   1.200 -12.491   6.331
  634    HB2  SER  76           1HB      SER  76  -0.414 -13.136   8.811
  635    HB3  SER  76           2HB      SER  76  -1.040 -13.403   7.183
  636    HG   SER  76           HG       SER  76   1.132 -14.654   8.473
  637    H    ILE  77           H        ILE  77  -0.673 -11.533   5.322
  638    HA   ILE  77           HA       ILE  77  -2.101  -9.823   4.811
  639    HB   ILE  77           HB       ILE  77  -3.854  -9.630   6.374
  640   HG12  ILE  77          1HG1      ILE  77  -1.918  -9.093   8.679
  641   HG13  ILE  77          2HG1      ILE  77  -2.746  -7.867   7.769
  642   HG21  ILE  77          1HG2      ILE  77  -4.107 -11.483   7.773
  643   HG22  ILE  77          2HG2      ILE  77  -2.407 -11.561   8.185
  644   HG23  ILE  77          3HG2      ILE  77  -2.946 -12.027   6.571
  645   HD11  ILE  77          3HD1      ILE  77  -4.915  -8.891   8.506
  646   HD12  ILE  77          1HD1      ILE  77  -3.936  -8.220   9.807
  647   HD13  ILE  77          2HD1      ILE  77  -3.980  -9.961   9.554
  648    HA   PRO  78           HA       PRO  78  -3.584  -7.910   5.237
  649    HB2  PRO  78           1HB      PRO  78  -4.189  -5.349   5.042
  650    HB3  PRO  78           2HB      PRO  78  -3.895  -6.062   6.637
  651    HG2  PRO  78           1HG      PRO  78  -2.182  -4.154   5.143
  652    HG3  PRO  78           2HG      PRO  78  -2.164  -4.578   6.863
  653    HD2  PRO  78           1HD      PRO  78  -0.453  -5.681   4.700
  654    HD3  PRO  78           2HD      PRO  78  -0.256  -5.866   6.457
  655    H    ASP  79           H        ASP  79  -4.830  -7.603   3.413
  656    HA   ASP  79           HA       ASP  79  -3.330  -7.209   0.903
  657    HB2  ASP  79           1HB      ASP  79  -5.670  -8.049  -0.015
  658    HB3  ASP  79           2HB      ASP  79  -4.575  -9.200   0.697
  659    H    VAL  80           H        VAL  80  -4.219  -5.860  -0.730
  660    HA   VAL  80           HA       VAL  80  -5.710  -3.509   0.351
  661    HB   VAL  80           HB       VAL  80  -3.374  -3.108  -0.421
  662   HG11  VAL  80          1HG1      VAL  80  -2.695  -3.310  -2.723
  663   HG12  VAL  80          2HG1      VAL  80  -4.335  -3.626  -3.264
  664   HG13  VAL  80          3HG1      VAL  80  -3.466  -4.843  -2.330
  665   HG21  VAL  80          3HG2      VAL  80  -5.109  -1.299  -0.477
  666   HG22  VAL  80          1HG2      VAL  80  -5.507  -1.753  -2.132
  667   HG23  VAL  80          2HG2      VAL  80  -3.931  -1.095  -1.754
  668    H    THR  81           H        THR  81  -7.644  -3.100  -0.425
  669    HA   THR  81           HA       THR  81  -8.417  -3.987  -3.169
  670    HB   THR  81           HB       THR  81 -10.227  -4.430  -0.747
  671    HG1  THR  81           HG1      THR  81  -9.352  -6.313  -0.525
  672   HG21  THR  81          3HG2      THR  81 -11.482  -5.846  -2.344
  673   HG22  THR  81          1HG2      THR  81 -10.322  -5.462  -3.620
  674   HG23  THR  81          2HG2      THR  81 -11.360  -4.197  -2.956
  675    H    TYR  82           H        TYR  82  -9.112  -2.266  -4.214
  676    HA   TYR  82           HA       TYR  82 -10.915  -0.324  -2.928
  677    HB2  TYR  82           1HB      TYR  82  -8.159   0.245  -3.067
  678    HB3  TYR  82           2HB      TYR  82  -8.780   1.067  -4.490
  679    HD1  TYR  82           HD1      TYR  82  -9.055   0.786  -0.784
  680    HD2  TYR  82           HD2      TYR  82 -10.286   3.010  -4.247
  681    HE1  TYR  82           HE1      TYR  82  -9.895   2.610   0.670
  682    HE2  TYR  82           HE2      TYR  82 -11.103   4.833  -2.786
  683    HH   TYR  82           HH       TYR  82 -11.740   4.504   0.362
  684    H    THR  83           H        THR  83 -11.223   1.507  -4.776
  685    HA   THR  83           HA       THR  83 -12.011   0.014  -7.262
  686    HB   THR  83           HB       THR  83 -13.523   2.273  -5.890
  687    HG1  THR  83           HG1      THR  83 -14.189   0.729  -4.669
  688   HG21  THR  83          3HG2      THR  83 -14.268   0.412  -8.187
  689   HG22  THR  83          1HG2      THR  83 -13.942   2.139  -8.334
  690   HG23  THR  83          2HG2      THR  83 -15.348   1.579  -7.435
  691    H    LEU  84           H        LEU  84 -11.098   0.756  -9.021
  692    HA   LEU  84           HA       LEU  84  -9.934   3.484  -9.094
  693    HB2  LEU  84           1HB      LEU  84  -8.459   1.499  -9.549
  694    HB3  LEU  84           2HB      LEU  84  -9.422   1.130 -10.950
  695    HG   LEU  84           HG       LEU  84  -8.814   3.316 -11.959
  696   HD11  LEU  84          1HD1      LEU  84  -8.406   4.880 -10.266
  697   HD12  LEU  84          2HD1      LEU  84  -6.765   4.535 -10.762
  698   HD13  LEU  84          3HD1      LEU  84  -7.418   3.782  -9.306
  699   HD21  LEU  84          3HD2      LEU  84  -6.326   2.841 -12.268
  700   HD22  LEU  84          1HD2      LEU  84  -7.376   1.447 -12.536
  701   HD23  LEU  84          2HD2      LEU  84  -6.469   1.601 -11.029
  702    H    LYS  85           H        LYS  85 -10.713   4.994 -10.478
  703    HA   LYS  85           HA       LYS  85 -12.644   4.230 -12.607
  704    HB2  LYS  85           1HB      LYS  85 -12.969   6.394 -10.498
  705    HB3  LYS  85           2HB      LYS  85 -13.965   6.287 -11.950
  706    HG2  LYS  85           1HG      LYS  85 -14.703   4.007 -11.272
  707    HG3  LYS  85           2HG      LYS  85 -13.723   4.127  -9.810
  708    HD2  LYS  85           1HD      LYS  85 -15.066   6.066  -9.056
  709    HD3  LYS  85           2HD      LYS  85 -16.026   5.987 -10.533
  710    HE2  LYS  85           1HE      LYS  85 -16.814   3.723  -9.912
  711    HE3  LYS  85           2HE      LYS  85 -15.846   3.785  -8.441
  712    HZ1  LYS  85           3HZ      LYS  85 -18.330   5.153  -9.090
  713    HZ2  LYS  85           1HZ      LYS  85 -17.194   6.043  -8.196
  714    HZ3  LYS  85           2HZ      LYS  85 -17.769   4.560  -7.599
  715    H    ALA  86           H        ALA  86 -12.968   5.900 -14.175
  716    HA   ALA  86           HA       ALA  86 -10.469   6.916 -15.158
  717    HB1  ALA  86           3HB      ALA  86 -11.822   7.676 -17.075
  718    HB2  ALA  86           1HB      ALA  86 -13.301   7.323 -16.174
  719    HB3  ALA  86           2HB      ALA  86 -12.223   6.011 -16.648
  720    H    LYS  87           H        LYS  87  -9.903   9.048 -15.564
  721    HA   LYS  87           HA       LYS  87 -10.376  10.887 -13.526
  722    HB2  LYS  87           1HB      LYS  87  -8.382  10.957 -14.990
  723    HB3  LYS  87           2HB      LYS  87  -9.402  11.368 -16.363
  724    HG2  LYS  87           1HG      LYS  87  -8.363  13.423 -15.599
  725    HG3  LYS  87           2HG      LYS  87 -10.051  13.519 -15.137
  726    HD2  LYS  87           1HD      LYS  87  -9.454  12.837 -12.816
  727    HD3  LYS  87           2HD      LYS  87  -7.770  12.697 -13.306
  728    HE2  LYS  87           1HE      LYS  87  -7.710  15.107 -13.799
  729    HE3  LYS  87           2HE      LYS  87  -9.423  15.246 -13.390
  730    HZ1  LYS  87           3HZ      LYS  87  -8.923  15.369 -11.254
  731    HZ2  LYS  87           1HZ      LYS  87  -7.278  15.420 -11.660
  732    HZ3  LYS  87           2HZ      LYS  87  -8.021  13.931 -11.315
  733    H    GLU  88           H        GLU  88 -12.063  12.177 -13.118
  734    HA   GLU  88           HA       GLU  88 -13.546  13.576 -15.145
  735    HB2  GLU  88           1HB      GLU  88 -14.523  11.260 -15.338
  736    HB3  GLU  88           2HB      GLU  88 -15.036  11.366 -13.659
  737    HG2  GLU  88           1HG      GLU  88 -16.448  13.333 -14.208
  738    HG3  GLU  88           2HG      GLU  88 -15.903  13.265 -15.880
  739    H    ASP  89           H        ASP  89 -12.595  15.129 -13.641
  740    HA   ASP  89           HA       ASP  89 -13.813  15.348 -10.994
  741    HB2  ASP  89           1HB      ASP  89 -11.708  17.003 -12.393
  742    HB3  ASP  89           2HB      ASP  89 -12.220  17.232 -10.720
  743    HA   PRO  90           HA       PRO  90 -16.708  18.437 -12.678
  744    HB2  PRO  90           1HB      PRO  90 -18.143  19.025 -10.506
  745    HB3  PRO  90           2HB      PRO  90 -18.099  17.330 -11.060
  746    HG2  PRO  90           1HG      PRO  90 -16.393  18.625  -8.915
  747    HG3  PRO  90           2HG      PRO  90 -17.403  17.162  -8.781
  748    HD2  PRO  90           1HD      PRO  90 -14.704  17.000  -9.369
  749    HD3  PRO  90           2HD      PRO  90 -15.879  15.851 -10.016
  750    H    LEU  91           H        LEU  91 -14.386  19.042 -10.185
  751    HA   LEU  91           HA       LEU  91 -14.766  21.818  -9.752
  752    HB2  LEU  91           1HB      LEU  91 -12.150  20.267  -9.584
  753    HB3  LEU  91           2HB      LEU  91 -12.540  21.773  -8.751
  754    HG   LEU  91           HG       LEU  91 -13.929  19.093  -8.303
  755   HD11  LEU  91          1HD1      LEU  91 -12.781  19.116  -6.106
  756   HD12  LEU  91          2HD1      LEU  91 -11.965  20.617  -6.544
  757   HD13  LEU  91          3HD1      LEU  91 -11.614  19.131  -7.429
  758   HD21  LEU  91          3HD2      LEU  91 -15.564  20.759  -7.778
  759   HD22  LEU  91          1HD2      LEU  91 -14.373  21.849  -7.066
  760   HD23  LEU  91          2HD2      LEU  91 -14.854  20.374  -6.224
  761    H    GLU  92           H        GLU  92 -12.837  20.059 -12.130
  762    HA   GLU  92           HA       GLU  92 -12.763  22.423 -13.857
  763    HB2  GLU  92           1HB      GLU  92 -10.796  22.714 -12.314
  764    HB3  GLU  92           2HB      GLU  92 -10.143  21.186 -12.895
  765    HG2  GLU  92           1HG      GLU  92 -10.034  22.099 -15.202
  766    HG3  GLU  92           2HG      GLU  92 -10.737  23.614 -14.645
  767    H    HIS  93           H        HIS  93 -12.266  21.927 -16.004
  768    HA   HIS  93           HA       HIS  93 -11.571  19.202 -16.815
  769    HB2  HIS  93           1HB      HIS  93 -13.661  18.921 -18.158
  770    HB3  HIS  93           2HB      HIS  93 -13.983  18.971 -16.425
  771    HD1  HIS  93           HD1      HIS  93 -14.473  20.931 -19.578
  772    HD2  HIS  93           HD2      HIS  93 -15.311  21.337 -15.514
  773    HE1  HIS  93           HE1      HIS  93 -16.071  22.885 -19.368
  774    HE2  HIS  93           HE2      HIS  93 -16.591  23.145 -16.896
  775    H    HIS  94           H        HIS  94 -11.421  19.024 -19.158
  776    HA   HIS  94           HA       HIS  94 -11.125  21.547 -20.698
  777    HB2  HIS  94           1HB      HIS  94  -8.879  19.512 -20.348
  778    HB3  HIS  94           2HB      HIS  94  -8.837  20.923 -21.408
  779    HD1  HIS  94           HD1      HIS  94  -8.395  19.874 -17.883
  780    HD2  HIS  94           HD2      HIS  94  -8.817  23.458 -19.972
  781    HE1  HIS  94           HE1      HIS  94  -7.692  21.717 -16.294
  782    HE2  HIS  94           HE2      HIS  94  -7.943  23.908 -17.552
  783    H    HIS  95           H        HIS  95 -12.494  21.103 -22.315
  784    HA   HIS  95           HA       HIS  95 -13.505  20.119 -24.101
  785    HB2  HIS  95           1HB      HIS  95 -11.174  20.296 -24.984
  786    HB3  HIS  95           2HB      HIS  95 -10.847  18.667 -24.406
  787    HD1  HIS  95           HD1      HIS  95 -13.317  20.441 -26.718
  788    HD2  HIS  95           HD2      HIS  95 -11.537  16.700 -26.246
  789    HE1  HIS  95           HE1      HIS  95 -14.073  19.036 -28.682
  790    HE2  HIS  95           HE2      HIS  95 -12.998  16.752 -28.411
  791    H    HIS  96           H        HIS  96 -14.845  19.040 -22.409
  792    HA   HIS  96           HA       HIS  96 -14.993  16.159 -22.968
  793    HB2  HIS  96           1HB      HIS  96 -14.617  17.224 -20.138
  794    HB3  HIS  96           2HB      HIS  96 -15.100  15.571 -20.525
  795    HD1  HIS  96           HD1      HIS  96 -13.307  14.599 -22.590
  796    HD2  HIS  96           HD2      HIS  96 -11.892  17.223 -19.675
  797    HE1  HIS  96           HE1      HIS  96 -10.794  14.305 -22.522
  798    HE2  HIS  96           HE2      HIS  96  -9.915  15.898 -20.750
  799    H    HIS  97           H        HIS  97 -16.989  15.287 -22.636
  800    HA   HIS  97           HA       HIS  97 -19.284  15.259 -22.670
  801    HB2  HIS  97           1HB      HIS  97 -18.988  17.307 -20.434
  802    HB3  HIS  97           2HB      HIS  97 -20.413  16.322 -20.761
  803    HD1  HIS  97           HD1      HIS  97 -19.521  13.556 -20.997
  804    HD2  HIS  97           HD2      HIS  97 -17.599  16.158 -18.367
  805    HE1  HIS  97           HE1      HIS  97 -18.329  12.105 -19.298
  806    HE2  HIS  97           HE2      HIS  97 -17.152  13.676 -17.687
  807    H    HIS  98           H        HIS  98 -17.700  17.422 -24.137
  808    HA   HIS  98           HA       HIS  98 -20.007  18.858 -25.228
  809    HB2  HIS  98           1HB      HIS  98 -17.653  20.366 -24.005
  810    HB3  HIS  98           2HB      HIS  98 -18.970  21.092 -24.928
  811    HD1  HIS  98           HD1      HIS  98 -21.475  20.331 -23.827
  812    HD2  HIS  98           HD2      HIS  98 -18.160  20.510 -21.306
  813    HE1  HIS  98           HE1      HIS  98 -22.378  20.523 -21.471
  814    HE2  HIS  98           HE2      HIS  98 -20.370  20.634 -19.920
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1  -9.345  13.878  17.335
    2    H2   MET   1           2H       MET   1  -8.125  13.882  16.152
    3    H3   MET   1           3H       MET   1  -8.676  12.413  16.806
    4    HA   MET   1           HA       MET   1 -10.064  12.262  15.096
    5    HB2  MET   1           1HB      MET   1 -11.263  14.743  16.397
    6    HB3  MET   1           2HB      MET   1 -12.098  13.721  15.224
    7    HG2  MET   1           1HG      MET   1 -11.886  11.785  16.761
    8    HG3  MET   1           2HG      MET   1 -11.072  12.820  17.941
    9    HE1  MET   1           3HE      MET   1 -13.388  11.236  18.881
   10    HE2  MET   1           1HE      MET   1 -14.399  12.421  19.727
   11    HE3  MET   1           2HE      MET   1 -12.646  12.495  19.862
   12    H    LYS   2           H        LYS   2  -7.648  13.896  14.688
   13    HA   LYS   2           HA       LYS   2  -8.199  16.174  13.078
   14    HB2  LYS   2           1HB      LYS   2  -5.799  15.722  12.223
   15    HB3  LYS   2           2HB      LYS   2  -5.988  15.989  13.956
   16    HG2  LYS   2           1HG      LYS   2  -5.827  13.615  14.439
   17    HG3  LYS   2           2HG      LYS   2  -5.937  13.195  12.737
   18    HD2  LYS   2           1HD      LYS   2  -3.614  13.014  13.496
   19    HD3  LYS   2           2HD      LYS   2  -3.764  14.300  12.300
   20    HE2  LYS   2           1HE      LYS   2  -3.591  16.008  13.996
   21    HE3  LYS   2           2HE      LYS   2  -3.857  14.845  15.300
   22    HZ1  LYS   2           3HZ      LYS   2  -1.651  14.187  13.576
   23    HZ2  LYS   2           1HZ      LYS   2  -1.735  14.223  15.269
   24    HZ3  LYS   2           2HZ      LYS   2  -1.452  15.658  14.404
   25    H    THR   3           H        THR   3  -7.722  12.748  12.280
   26    HA   THR   3           HA       THR   3  -8.034  11.550  10.349
   27    HB   THR   3           HB       THR   3 -10.154  11.983   9.191
   28    HG1  THR   3           HG1      THR   3 -10.631  14.242  10.738
   29   HG21  THR   3          3HG2      THR   3 -10.389  12.569  12.168
   30   HG22  THR   3          1HG2      THR   3 -10.234  10.957  11.467
   31   HG23  THR   3          2HG2      THR   3 -11.665  11.930  11.136
   32    H    LEU   4           H        LEU   4  -6.393  14.167  10.254
   33    HA   LEU   4           HA       LEU   4  -6.613  15.198   7.590
   34    HB2  LEU   4           1HB      LEU   4  -4.830  15.606   9.947
   35    HB3  LEU   4           2HB      LEU   4  -3.937  15.691   8.438
   36    HG   LEU   4           HG       LEU   4  -5.613  17.410   7.606
   37   HD11  LEU   4          1HD1      LEU   4  -7.059  18.519   9.299
   38   HD12  LEU   4          2HD1      LEU   4  -6.592  17.307  10.486
   39   HD13  LEU   4          3HD1      LEU   4  -7.518  16.836   9.066
   40   HD21  LEU   4          3HD2      LEU   4  -4.707  19.262   8.989
   41   HD22  LEU   4          1HD2      LEU   4  -3.447  18.101   8.574
   42   HD23  LEU   4          2HD2      LEU   4  -4.154  18.096  10.190
   43    H    TYR   5           H        TYR   5  -5.073  15.020   5.922
   44    HA   TYR   5           HA       TYR   5  -4.555  12.378   5.077
   45    HB2  TYR   5           1HB      TYR   5  -3.280  14.981   4.138
   46    HB3  TYR   5           2HB      TYR   5  -3.249  13.454   3.259
   47    HD1  TYR   5           HD1      TYR   5  -5.336  12.505   2.261
   48    HD2  TYR   5           HD2      TYR   5  -5.352  16.337   4.240
   49    HE1  TYR   5           HE1      TYR   5  -7.532  13.033   1.245
   50    HE2  TYR   5           HE2      TYR   5  -7.547  16.849   3.213
   51    HH   TYR   5           HH       TYR   5  -8.970  16.217   1.520
   52    H    ASP   6           H        ASP   6  -3.369  11.299   6.686
   53    HA   ASP   6           HA       ASP   6  -0.828  12.304   7.654
   54    HB2  ASP   6           1HB      ASP   6  -2.321  10.853   9.024
   55    HB3  ASP   6           2HB      ASP   6  -2.027   9.515   7.915
   56    H    LEU   7           H        LEU   7  -1.753  11.034   4.750
   57    HA   LEU   7           HA       LEU   7  -0.639  10.076   2.975
   58    HB2  LEU   7           1HB      LEU   7   1.866  11.094   4.371
   59    HB3  LEU   7           2HB      LEU   7   1.655  10.813   2.641
   60    HG   LEU   7           HG       LEU   7   0.155  12.906   4.281
   61   HD11  LEU   7          1HD1      LEU   7   1.511  14.549   3.050
   62   HD12  LEU   7          2HD1      LEU   7   2.382  13.241   2.250
   63   HD13  LEU   7          3HD1      LEU   7   2.534  13.464   3.995
   64   HD21  LEU   7          3HD2      LEU   7  -0.496  13.747   1.929
   65   HD22  LEU   7          1HD2      LEU   7  -1.280  12.266   2.458
   66   HD23  LEU   7          2HD2      LEU   7   0.057  12.189   1.320
   67    HA   PRO   8           HA       PRO   8   0.777   6.494   5.736
   68    HB2  PRO   8           1HB      PRO   8  -1.345   4.766   5.291
   69    HB3  PRO   8           2HB      PRO   8  -1.363   5.990   6.582
   70    HG2  PRO   8           1HG      PRO   8  -2.575   6.167   3.819
   71    HG3  PRO   8           2HG      PRO   8  -3.304   6.573   5.387
   72    HD2  PRO   8           1HD      PRO   8  -2.259   8.520   3.809
   73    HD3  PRO   8           2HD      PRO   8  -2.090   8.607   5.578
   74    H    ILE   9           H        ILE   9  -1.254   5.177   3.208
   75    HA   ILE   9           HA       ILE   9   1.009   3.789   2.007
   76    HB   ILE   9           HB       ILE   9  -1.934   3.810   1.200
   77   HG12  ILE   9          1HG1      ILE   9  -0.382   1.760   2.872
   78   HG13  ILE   9          2HG1      ILE   9  -1.449   2.974   3.567
   79   HG21  ILE   9          1HG2      ILE   9  -1.318   1.680   0.031
   80   HG22  ILE   9          2HG2      ILE   9   0.365   1.929   0.460
   81   HG23  ILE   9          3HG2      ILE   9  -0.440   3.043  -0.639
   82   HD11  ILE   9          3HD1      ILE   9  -2.643   0.866   3.353
   83   HD12  ILE   9          1HD1      ILE   9  -2.281   0.795   1.630
   84   HD13  ILE   9          2HD1      ILE   9  -3.344   2.054   2.259
   85    H    VAL  10           H        VAL  10   1.994   4.273   0.162
   86    HA   VAL  10           HA       VAL  10   1.173   6.737  -1.308
   87    HB   VAL  10           HB       VAL  10   3.852   5.276  -1.458
   88   HG11  VAL  10          1HG1      VAL  10   4.614   7.446  -2.423
   89   HG12  VAL  10          2HG1      VAL  10   2.975   8.079  -2.317
   90   HG13  VAL  10          3HG1      VAL  10   3.332   6.742  -3.407
   91   HG21  VAL  10          3HG2      VAL  10   4.669   7.094   0.050
   92   HG22  VAL  10          1HG2      VAL  10   3.471   6.077   0.847
   93   HG23  VAL  10          2HG2      VAL  10   3.013   7.672   0.242
   94    H    LEU  11           H        LEU  11   0.656   6.681  -3.400
   95    HA   LEU  11           HA       LEU  11   0.404   4.013  -4.683
   96    HB2  LEU  11           1HB      LEU  11  -1.533   5.861  -4.432
   97    HB3  LEU  11           2HB      LEU  11  -0.811   6.525  -5.886
   98    HG   LEU  11           HG       LEU  11  -2.558   4.989  -6.596
   99   HD11  LEU  11          1HD1      LEU  11  -0.124   3.233  -7.007
  100   HD12  LEU  11          2HD1      LEU  11  -0.169   4.820  -7.721
  101   HD13  LEU  11          3HD1      LEU  11  -1.403   3.670  -8.124
  102   HD21  LEU  11          3HD2      LEU  11  -1.427   2.491  -5.391
  103   HD22  LEU  11          1HD2      LEU  11  -3.095   2.991  -5.620
  104   HD23  LEU  11          2HD2      LEU  11  -2.188   3.579  -4.239
  105    H    ARG  12           H        ARG  12   1.944   3.447  -6.014
  106    HA   ARG  12           HA       ARG  12   3.502   5.493  -7.510
  107    HB2  ARG  12           1HB      ARG  12   4.671   3.801  -5.986
  108    HB3  ARG  12           2HB      ARG  12   4.196   2.560  -7.145
  109    HG2  ARG  12           1HG      ARG  12   5.408   3.750  -8.947
  110    HG3  ARG  12           2HG      ARG  12   5.860   5.026  -7.823
  111    HD2  ARG  12           1HD      ARG  12   7.062   3.329  -6.442
  112    HD3  ARG  12           2HD      ARG  12   6.691   2.114  -7.675
  113    HE   ARG  12           HE       ARG  12   7.876   4.309  -8.961
  114   HH11  ARG  12          1HH2      ARG  12   8.668   1.875  -6.628
  115   HH12  ARG  12          2HH2      ARG  12  10.347   1.830  -7.050
  116   HH21  ARG  12          1HH1      ARG  12  10.053   4.262  -9.512
  117   HH22  ARG  12          2HH1      ARG  12  11.134   3.187  -8.690
  118    H    ASN  13           H        ASN  13   3.954   5.146  -9.707
  119    HA   ASN  13           HA       ASN  13   3.381   4.729 -11.880
  120    HB2  ASN  13           1HB      ASN  13   2.467   2.024 -10.823
  121    HB3  ASN  13           2HB      ASN  13   2.883   2.435 -12.477
  122   HD21  ASN  13          2HD2      ASN  13   4.138   0.964  -9.774
  123   HD22  ASN  13          1HD2      ASN  13   5.790   1.205 -10.075
  124    H    LEU  14           H        LEU  14   1.545   6.233 -10.537
  125    HA   LEU  14           HA       LEU  14  -1.137   5.135 -11.131
  126    HB2  LEU  14           1HB      LEU  14  -0.902   6.282  -9.026
  127    HB3  LEU  14           2HB      LEU  14  -0.272   7.710  -9.790
  128    HG   LEU  14           HG       LEU  14  -2.450   8.183 -10.821
  129   HD11  LEU  14          1HD1      LEU  14  -3.327   6.081 -11.477
  130   HD12  LEU  14          2HD1      LEU  14  -4.441   6.637 -10.235
  131   HD13  LEU  14          3HD1      LEU  14  -3.230   5.412  -9.847
  132   HD21  LEU  14          3HD2      LEU  14  -2.133   8.882  -8.466
  133   HD22  LEU  14          1HD2      LEU  14  -2.849   7.361  -7.927
  134   HD23  LEU  14          2HD2      LEU  14  -3.821   8.526  -8.825
  135    HA   PRO  15           HA       PRO  15  -0.511   7.513 -15.121
  136    HB2  PRO  15           1HB      PRO  15  -3.102   6.052 -15.700
  137    HB3  PRO  15           2HB      PRO  15  -1.691   6.274 -16.761
  138    HG2  PRO  15           1HG      PRO  15  -2.097   3.931 -15.608
  139    HG3  PRO  15           2HG      PRO  15  -0.454   4.611 -15.661
  140    HD2  PRO  15           1HD      PRO  15  -2.386   4.567 -13.311
  141    HD3  PRO  15           2HD      PRO  15  -0.659   4.256 -13.367
  142    H    GLU  16           H        GLU  16  -1.215   9.615 -15.149
  143    HA   GLU  16           HA       GLU  16  -3.050  10.809 -13.507
  144    HB2  GLU  16           1HB      GLU  16  -3.088  12.694 -15.169
  145    HB3  GLU  16           2HB      GLU  16  -1.460  12.106 -14.825
  146    HG2  GLU  16           1HG      GLU  16  -1.652  10.641 -16.929
  147    HG3  GLU  16           2HG      GLU  16  -3.141  11.495 -17.298
  148    H    ASP  17           H        ASP  17  -3.694   9.683 -16.823
  149    HA   ASP  17           HA       ASP  17  -6.276  10.466 -17.231
  150    HB2  ASP  17           1HB      ASP  17  -4.875   9.178 -18.840
  151    HB3  ASP  17           2HB      ASP  17  -5.174   7.712 -17.913
  152    H    LEU  18           H        LEU  18  -5.217   8.211 -14.866
  153    HA   LEU  18           HA       LEU  18  -8.013   7.423 -14.187
  154    HB2  LEU  18           1HB      LEU  18  -5.447   5.983 -13.407
  155    HB3  LEU  18           2HB      LEU  18  -7.103   5.403 -13.223
  156    HG   LEU  18           HG       LEU  18  -5.672   5.898 -15.874
  157   HD11  LEU  18          1HD1      LEU  18  -5.616   3.514 -16.153
  158   HD12  LEU  18          2HD1      LEU  18  -6.604   3.243 -14.726
  159   HD13  LEU  18          3HD1      LEU  18  -4.950   3.845 -14.556
  160   HD21  LEU  18          3HD2      LEU  18  -8.538   5.073 -15.257
  161   HD22  LEU  18          1HD2      LEU  18  -7.774   4.661 -16.796
  162   HD23  LEU  18          2HD2      LEU  18  -7.960   6.339 -16.335
  163    H    VAL  19           H        VAL  19  -8.671   7.627 -12.097
  164    HA   VAL  19           HA       VAL  19  -6.849   8.855 -10.097
  165    HB   VAL  19           HB       VAL  19  -8.555  10.595  -9.555
  166   HG11  VAL  19          1HG1      VAL  19  -8.061  12.080 -11.428
  167   HG12  VAL  19          2HG1      VAL  19  -7.711  10.717 -12.486
  168   HG13  VAL  19          3HG1      VAL  19  -6.642  11.079 -11.133
  169   HG21  VAL  19          3HG2      VAL  19 -10.571   9.459 -10.434
  170   HG22  VAL  19          1HG2      VAL  19  -9.935   9.555 -12.074
  171   HG23  VAL  19          2HG2      VAL  19 -10.386  11.024 -11.210
  172    H    LEU  20           H        LEU  20  -7.486   8.676  -8.004
  173    HA   LEU  20           HA       LEU  20  -9.179   6.351  -7.431
  174    HB2  LEU  20           1HB      LEU  20  -6.809   7.627  -6.250
  175    HB3  LEU  20           2HB      LEU  20  -8.018   7.432  -4.994
  176    HG   LEU  20           HG       LEU  20  -7.215   5.116  -6.823
  177   HD11  LEU  20          1HD1      LEU  20  -5.744   4.333  -4.988
  178   HD12  LEU  20          2HD1      LEU  20  -6.030   5.846  -4.127
  179   HD13  LEU  20          3HD1      LEU  20  -5.185   5.860  -5.674
  180   HD21  LEU  20          3HD2      LEU  20  -8.459   5.121  -4.047
  181   HD22  LEU  20          1HD2      LEU  20  -8.195   3.743  -5.100
  182   HD23  LEU  20          2HD2      LEU  20  -9.388   4.952  -5.534
  183    H    GLU  21           H        GLU  21 -11.222   6.538  -6.763
  184    HA   GLU  21           HA       GLU  21 -12.552   9.004  -6.441
  185    HB2  GLU  21           1HB      GLU  21 -14.466   7.602  -5.656
  186    HB3  GLU  21           2HB      GLU  21 -13.744   6.985  -7.141
  187    HG2  GLU  21           1HG      GLU  21 -12.455   5.315  -5.844
  188    HG3  GLU  21           2HG      GLU  21 -13.147   5.925  -4.346
  189    H    LYS  22           H        LYS  22 -10.959   6.882  -4.152
  190    HA   LYS  22           HA       LYS  22 -11.218   8.918  -2.105
  191    HB2  LYS  22           1HB      LYS  22 -13.276   7.512  -1.869
  192    HB3  LYS  22           2HB      LYS  22 -12.248   6.122  -1.553
  193    HG2  LYS  22           1HG      LYS  22 -12.786   6.839   0.652
  194    HG3  LYS  22           2HG      LYS  22 -11.226   7.596   0.406
  195    HD2  LYS  22           1HD      LYS  22 -12.409   9.473   1.179
  196    HD3  LYS  22           2HD      LYS  22 -12.771   9.653  -0.528
  197    HE2  LYS  22           1HE      LYS  22 -14.887   8.342  -0.181
  198    HE3  LYS  22           2HE      LYS  22 -14.545   8.338   1.552
  199    HZ1  LYS  22           3HZ      LYS  22 -15.460  10.489  -0.150
  200    HZ2  LYS  22           1HZ      LYS  22 -14.241  10.928   0.943
  201    HZ3  LYS  22           2HZ      LYS  22 -15.687  10.245   1.515
  202    HA   PRO  23           HA       PRO  23  -7.002   7.389  -1.460
  203    HB2  PRO  23           1HB      PRO  23  -6.677   8.279   1.218
  204    HB3  PRO  23           2HB      PRO  23  -6.378   9.265  -0.229
  205    HG2  PRO  23           1HG      PRO  23  -8.871   9.099   1.457
  206    HG3  PRO  23           2HG      PRO  23  -8.047  10.543   0.817
  207    HD2  PRO  23           1HD      PRO  23 -10.201   9.677  -0.406
  208    HD3  PRO  23           2HD      PRO  23  -8.815  10.126  -1.427
  209    H    LEU  24           H        LEU  24  -5.853   5.841  -0.216
  210    HA   LEU  24           HA       LEU  24  -7.464   3.612   0.532
  211    HB2  LEU  24           1HB      LEU  24  -4.477   3.902   0.929
  212    HB3  LEU  24           2HB      LEU  24  -5.396   2.401   0.904
  213    HG   LEU  24           HG       LEU  24  -6.150   3.620  -1.556
  214   HD11  LEU  24          1HD1      LEU  24  -4.362   5.334  -1.236
  215   HD12  LEU  24          2HD1      LEU  24  -4.108   4.332  -2.661
  216   HD13  LEU  24          3HD1      LEU  24  -3.155   4.047  -1.204
  217   HD21  LEU  24          3HD2      LEU  24  -3.930   1.596  -1.063
  218   HD22  LEU  24          1HD2      LEU  24  -4.715   1.892  -2.617
  219   HD23  LEU  24          2HD2      LEU  24  -5.646   1.237  -1.271
  220    HA   PRO  25           HA       PRO  25  -7.647   4.554   4.956
  221    HB2  PRO  25           1HB      PRO  25  -8.747   2.283   5.937
  222    HB3  PRO  25           2HB      PRO  25  -9.664   3.319   4.815
  223    HG2  PRO  25           1HG      PRO  25  -8.069   0.831   4.178
  224    HG3  PRO  25           2HG      PRO  25  -9.743   1.221   3.721
  225    HD2  PRO  25           1HD      PRO  25  -7.645   1.667   1.999
  226    HD3  PRO  25           2HD      PRO  25  -9.075   2.731   2.034
  227    H    GLU  26           H        GLU  26  -6.819   3.725   7.050
  228    HA   GLU  26           HA       GLU  26  -4.115   2.602   6.754
  229    HB2  GLU  26           1HB      GLU  26  -3.861   3.253   9.145
  230    HB3  GLU  26           2HB      GLU  26  -4.363   4.608   8.133
  231    HG2  GLU  26           1HG      GLU  26  -6.713   4.289   8.856
  232    HG3  GLU  26           2HG      GLU  26  -6.226   2.936   9.872
  233    H    VAL  27           H        VAL  27  -3.378   0.841   7.935
  234    HA   VAL  27           HA       VAL  27  -5.271  -0.903   9.343
  235    HB   VAL  27           HB       VAL  27  -5.536  -1.519   6.963
  236   HG11  VAL  27          1HG1      VAL  27  -3.676  -2.454   5.669
  237   HG12  VAL  27          2HG1      VAL  27  -2.568  -2.212   7.015
  238   HG13  VAL  27          3HG1      VAL  27  -3.268  -0.820   6.188
  239   HG21  VAL  27          3HG2      VAL  27  -5.698  -3.271   8.746
  240   HG22  VAL  27          1HG2      VAL  27  -3.994  -3.641   8.513
  241   HG23  VAL  27          2HG2      VAL  27  -5.137  -3.932   7.213
  242    H    SER  28           H        SER  28  -4.290  -2.365  10.704
  243    HA   SER  28           HA       SER  28  -1.502  -1.769  11.433
  244    HB2  SER  28           1HB      SER  28  -3.198  -1.865  13.208
  245    HB3  SER  28           2HB      SER  28  -3.589  -3.523  12.769
  246    HG   SER  28           HG       SER  28  -0.947  -3.313  13.054
  247    H    VAL  29           H        VAL  29  -0.021  -3.506  11.915
  248    HA   VAL  29           HA       VAL  29  -0.380  -6.009  10.312
  249    HB   VAL  29           HB       VAL  29   1.811  -5.794   9.321
  250   HG11  VAL  29          1HG1      VAL  29   1.561  -3.785   7.958
  251   HG12  VAL  29          2HG1      VAL  29   0.566  -3.002   9.188
  252   HG13  VAL  29          3HG1      VAL  29  -0.050  -4.381   8.314
  253   HG21  VAL  29          3HG2      VAL  29   3.098  -4.839  11.195
  254   HG22  VAL  29          1HG2      VAL  29   2.191  -3.336  11.100
  255   HG23  VAL  29          2HG2      VAL  29   3.294  -3.793   9.801
  256    H    THR  30           H        THR  30   1.043  -7.774  11.001
  257    HA   THR  30           HA       THR  30   1.906  -7.484  13.864
  258    HB   THR  30           HB       THR  30   0.964 -10.073  12.544
  259    HG1  THR  30           HG1      THR  30  -0.819  -8.823  12.563
  260   HG21  THR  30          3HG2      THR  30   0.730 -10.797  14.894
  261   HG22  THR  30          1HG2      THR  30   1.188  -9.197  15.468
  262   HG23  THR  30          2HG2      THR  30   2.371 -10.213  14.647
  263    H    ILE  31           H        ILE  31   4.009  -7.650  14.146
  264    HA   ILE  31           HA       ILE  31   5.675  -9.309  12.317
  265    HB   ILE  31           HB       ILE  31   6.363  -6.665  13.621
  266   HG12  ILE  31          1HG1      ILE  31   4.884  -6.434  11.644
  267   HG13  ILE  31          2HG1      ILE  31   6.483  -5.806  11.299
  268   HG21  ILE  31          1HG2      ILE  31   8.034  -8.559  11.927
  269   HG22  ILE  31          2HG2      ILE  31   8.378  -8.036  13.580
  270   HG23  ILE  31          3HG2      ILE  31   8.482  -6.891  12.263
  271   HD11  ILE  31          3HD1      ILE  31   6.099  -7.002   9.365
  272   HD12  ILE  31          1HD1      ILE  31   5.073  -8.183  10.157
  273   HD13  ILE  31          2HD1      ILE  31   6.824  -8.300  10.297
  274    H    ARG  32           H        ARG  32   7.519 -10.245  13.230
  275    HA   ARG  32           HA       ARG  32   7.501 -10.622  16.195
  276    HB2  ARG  32           1HB      ARG  32   7.790 -12.706  14.002
  277    HB3  ARG  32           2HB      ARG  32   8.135 -13.021  15.706
  278    HG2  ARG  32           1HG      ARG  32   5.804 -12.440  16.294
  279    HG3  ARG  32           2HG      ARG  32   5.449 -12.093  14.609
  280    HD2  ARG  32           1HD      ARG  32   5.942 -14.437  14.001
  281    HD3  ARG  32           2HD      ARG  32   6.339 -14.799  15.686
  282    HE   ARG  32           HE       ARG  32   3.700 -14.575  14.548
  283   HH11  ARG  32          1HH2      ARG  32   5.578 -14.124  17.440
  284   HH12  ARG  32          2HH2      ARG  32   4.217 -14.273  18.502
  285   HH21  ARG  32          1HH1      ARG  32   1.931 -14.756  15.941
  286   HH22  ARG  32          2HH1      ARG  32   2.158 -14.631  17.653
  287    H    ALA  33           H        ALA  33   9.307  -9.704  16.862
  288    HA   ALA  33           HA       ALA  33  11.869 -10.681  16.034
  289    HB1  ALA  33           3HB      ALA  33  12.781  -8.603  15.116
  290    HB2  ALA  33           1HB      ALA  33  11.229  -7.804  15.286
  291    HB3  ALA  33           2HB      ALA  33  11.418  -9.122  14.143
  292    H    TYR  34           H        TYR  34  13.626  -9.209  17.057
  293    HA   TYR  34           HA       TYR  34  13.131  -9.215  19.858
  294    HB2  TYR  34           1HB      TYR  34  15.416  -8.115  18.232
  295    HB3  TYR  34           2HB      TYR  34  15.449  -8.224  19.973
  296    HD1  TYR  34           HD2      TYR  34  15.462 -10.423  21.123
  297    HD2  TYR  34           HD1      TYR  34  15.603 -10.139  16.820
  298    HE1  TYR  34           HE2      TYR  34  16.169 -12.788  20.979
  299    HE2  TYR  34           HE1      TYR  34  16.309 -12.508  16.698
  300    HH   TYR  34           HH       TYR  34  15.886 -14.635  18.561
  301    HA   PRO  35           HA       PRO  35  11.637  -5.016  20.299
  302    HB2  PRO  35           1HB      PRO  35  12.253  -4.399  22.901
  303    HB3  PRO  35           2HB      PRO  35  10.953  -5.524  22.453
  304    HG2  PRO  35           1HG      PRO  35  13.739  -6.138  23.399
  305    HG3  PRO  35           2HG      PRO  35  12.212  -6.952  23.792
  306    HD2  PRO  35           1HD      PRO  35  14.008  -7.940  21.905
  307    HD3  PRO  35           2HD      PRO  35  12.263  -8.276  21.859
  308    H    GLU  36           H        GLU  36  14.989  -5.722  20.846
  309    HA   GLU  36           HA       GLU  36  16.022  -3.110  21.267
  310    HB2  GLU  36           1HB      GLU  36  18.195  -4.058  20.663
  311    HB3  GLU  36           2HB      GLU  36  17.288  -5.220  21.637
  312    HG2  GLU  36           1HG      GLU  36  16.515  -6.247  19.387
  313    HG3  GLU  36           2HG      GLU  36  17.752  -5.283  18.632
  314    H    ILE  37           H        ILE  37  15.397  -4.911  18.276
  315    HA   ILE  37           HA       ILE  37  16.328  -2.678  16.595
  316    HB   ILE  37           HB       ILE  37  15.271  -4.328  14.721
  317   HG12  ILE  37          1HG1      ILE  37  15.882  -6.236  17.004
  318   HG13  ILE  37          2HG1      ILE  37  14.253  -5.783  16.544
  319   HG21  ILE  37          1HG2      ILE  37  17.846  -4.928  16.234
  320   HG22  ILE  37          2HG2      ILE  37  17.678  -3.781  14.904
  321   HG23  ILE  37          3HG2      ILE  37  17.466  -5.505  14.613
  322   HD11  ILE  37          3HD1      ILE  37  14.465  -6.835  14.397
  323   HD12  ILE  37          1HD1      ILE  37  15.060  -7.975  15.599
  324   HD13  ILE  37          2HD1      ILE  37  16.199  -7.077  14.608
  325    H    LEU  38           H        LEU  38  13.248  -4.165  17.540
  326    HA   LEU  38           HA       LEU  38  11.587  -2.587  15.856
  327    HB2  LEU  38           1HB      LEU  38  11.016  -3.889  18.499
  328    HB3  LEU  38           2HB      LEU  38   9.767  -3.207  17.498
  329    HG   LEU  38           HG       LEU  38  11.628  -5.428  16.513
  330   HD11  LEU  38          1HD1      LEU  38   8.882  -5.674  17.811
  331   HD12  LEU  38          2HD1      LEU  38  10.405  -6.313  18.426
  332   HD13  LEU  38          3HD1      LEU  38   9.700  -6.982  16.963
  333   HD21  LEU  38          3HD2      LEU  38  10.503  -4.210  14.687
  334   HD22  LEU  38          1HD2      LEU  38   8.949  -4.365  15.496
  335   HD23  LEU  38          2HD2      LEU  38   9.765  -5.786  14.850
  336    H    ASN  39           H        ASN  39  12.869  -2.071  19.091
  337    HA   ASN  39           HA       ASN  39  11.459   0.384  19.582
  338    HB2  ASN  39           1HB      ASN  39  12.343  -1.065  21.401
  339    HB3  ASN  39           2HB      ASN  39  13.991  -0.721  20.877
  340   HD21  ASN  39          2HD2      ASN  39  11.199   0.565  22.563
  341   HD22  ASN  39          1HD2      ASN  39  11.932   2.006  23.074
  342    H    ASN  40           H        ASN  40  14.095  -0.470  17.631
  343    HA   ASN  40           HA       ASN  40  15.244   2.281  17.596
  344    HB2  ASN  40           1HB      ASN  40  16.800   0.337  17.937
  345    HB3  ASN  40           2HB      ASN  40  16.333  -0.275  16.357
  346   HD21  ASN  40          2HD2      ASN  40  17.708   2.665  17.901
  347   HD22  ASN  40          1HD2      ASN  40  18.649   3.110  16.559
  348    H    LEU  41           H        LEU  41  13.459  -0.044  15.730
  349    HA   LEU  41           HA       LEU  41  13.921   1.080  13.180
  350    HB2  LEU  41           1HB      LEU  41  12.622  -1.235  14.121
  351    HB3  LEU  41           2HB      LEU  41  11.284  -0.313  13.496
  352    HG   LEU  41           HG       LEU  41  12.081  -1.769  11.738
  353   HD11  LEU  41          1HD1      LEU  41  11.469   0.621  11.142
  354   HD12  LEU  41          2HD1      LEU  41  12.476  -0.232   9.988
  355   HD13  LEU  41          3HD1      LEU  41  13.193   0.964  11.038
  356   HD21  LEU  41          3HD2      LEU  41  14.332  -1.951  10.961
  357   HD22  LEU  41          1HD2      LEU  41  14.446  -2.056  12.712
  358   HD23  LEU  41          2HD2      LEU  41  14.879  -0.565  11.884
  359    H    THR  42           H        THR  42  12.809   2.596  12.028
  360    HA   THR  42           HA       THR  42  10.651   4.104  13.434
  361    HB   THR  42           HB       THR  42  12.638   5.481  13.406
  362    HG1  THR  42           HG1      THR  42  10.542   6.016  11.688
  363   HG21  THR  42          3HG2      THR  42  13.867   4.280  11.591
  364   HG22  THR  42          1HG2      THR  42  13.836   6.027  11.334
  365   HG23  THR  42          2HG2      THR  42  12.753   4.989  10.421
  366    H    LYS  43           H        LYS  43   8.963   4.814  12.230
  367    HA   LYS  43           HA       LYS  43   7.999   3.210  10.172
  368    HB2  LYS  43           1HB      LYS  43   7.315   6.095  10.780
  369    HB3  LYS  43           2HB      LYS  43   6.348   5.011   9.772
  370    HG2  LYS  43           1HG      LYS  43   5.910   3.528  11.669
  371    HG3  LYS  43           2HG      LYS  43   7.047   4.413  12.683
  372    HD2  LYS  43           1HD      LYS  43   4.836   5.140  13.315
  373    HD3  LYS  43           2HD      LYS  43   5.586   6.469  12.441
  374    HE2  LYS  43           1HE      LYS  43   3.210   6.091  11.757
  375    HE3  LYS  43           2HE      LYS  43   4.300   5.867  10.404
  376    HZ1  LYS  43           3HZ      LYS  43   3.941   3.462  11.899
  377    HZ2  LYS  43           1HZ      LYS  43   3.738   3.735  10.239
  378    HZ3  LYS  43           2HZ      LYS  43   2.465   4.069  11.315
  379    H    GLU  44           H        GLU  44   9.824   6.221   9.937
  380    HA   GLU  44           HA       GLU  44   9.518   6.769   7.202
  381    HB2  GLU  44           1HB      GLU  44  11.923   7.313   8.981
  382    HB3  GLU  44           2HB      GLU  44  11.597   8.112   7.441
  383    HG2  GLU  44           1HG      GLU  44   9.774   8.231   9.882
  384    HG3  GLU  44           2HG      GLU  44  10.894   9.498   9.401
  385    H    GLN  45           H        GLN  45  11.324   4.295   8.762
  386    HA   GLN  45           HA       GLN  45  13.128   3.796   6.526
  387    HB2  GLN  45           1HB      GLN  45  13.763   3.376   8.901
  388    HB3  GLN  45           2HB      GLN  45  12.573   2.085   8.966
  389    HG2  GLN  45           1HG      GLN  45  13.767   0.861   7.178
  390    HG3  GLN  45           2HG      GLN  45  14.922   2.183   7.026
  391   HE21  GLN  45          2HE2      GLN  45  14.155  -0.690   8.814
  392   HE22  GLN  45          1HE2      GLN  45  15.439  -0.586   9.919
  393    H    ILE  46           H        ILE  46  10.079   2.518   7.744
  394    HA   ILE  46           HA       ILE  46  10.061   0.155   6.124
  395    HB   ILE  46           HB       ILE  46   7.602   1.584   7.256
  396   HG12  ILE  46          1HG1      ILE  46   9.220   1.424   9.094
  397   HG13  ILE  46          2HG1      ILE  46   7.970   0.215   9.340
  398   HG21  ILE  46          1HG2      ILE  46   7.204  -0.356   5.755
  399   HG22  ILE  46          2HG2      ILE  46   6.700  -0.718   7.394
  400   HG23  ILE  46          3HG2      ILE  46   8.213  -1.372   6.768
  401   HD11  ILE  46          3HD1      ILE  46  10.803  -0.177   8.387
  402   HD12  ILE  46          1HD1      ILE  46   9.601  -1.442   8.214
  403   HD13  ILE  46          2HD1      ILE  46  10.035  -0.859   9.809
  404    H    SER  47           H        SER  47   9.585  -0.093   4.073
  405    HA   SER  47           HA       SER  47   8.621   2.215   2.461
  406    HB2  SER  47           1HB      SER  47   9.871  -0.415   1.604
  407    HB3  SER  47           2HB      SER  47   9.493   0.949   0.560
  408    HG   SER  47           HG       SER  47  10.972   2.186   1.722
  409    H    LEU  48           H        LEU  48   6.496   2.259   2.113
  410    HA   LEU  48           HA       LEU  48   5.033  -0.293   1.530
  411    HB2  LEU  48           1HB      LEU  48   4.175   1.979   3.355
  412    HB3  LEU  48           2HB      LEU  48   3.039   0.774   2.759
  413    HG   LEU  48           HG       LEU  48   5.559  -0.239   4.108
  414   HD11  LEU  48          1HD1      LEU  48   4.505  -0.127   6.335
  415   HD12  LEU  48          2HD1      LEU  48   3.195   0.837   5.647
  416   HD13  LEU  48          3HD1      LEU  48   4.839   1.474   5.672
  417   HD21  LEU  48          3HD2      LEU  48   2.688  -1.221   4.189
  418   HD22  LEU  48          1HD2      LEU  48   4.102  -2.061   4.825
  419   HD23  LEU  48          2HD2      LEU  48   3.933  -1.808   3.098
  420    H    TRP  49           H        TRP  49   4.159  -0.238  -0.377
  421    HA   TRP  49           HA       TRP  49   2.617   1.970  -1.333
  422    HB2  TRP  49           1HB      TRP  49   3.959   2.707  -3.162
  423    HB3  TRP  49           2HB      TRP  49   5.093   2.593  -1.825
  424    HD1  TRP  49           HD1      TRP  49   4.425   1.237  -5.221
  425    HE1  TRP  49           HE1      TRP  49   6.199  -0.494  -5.878
  426    HE3  TRP  49           HE3      TRP  49   6.646   0.551  -0.690
  427    HZ2  TRP  49           HZ2      TRP  49   8.276  -2.005  -4.628
  428    HZ3  TRP  49           HZ3      TRP  49   8.509  -1.068  -0.442
  429    HH2  TRP  49           HH2      TRP  49   9.328  -2.342  -2.407
  430    H    ILE  50           H        ILE  50   2.295   1.402  -3.884
  431    HA   ILE  50           HA       ILE  50   1.936  -1.520  -4.235
  432    HB   ILE  50           HB       ILE  50  -0.442   0.344  -4.743
  433   HG12  ILE  50          1HG1      ILE  50   0.138  -1.176  -2.174
  434   HG13  ILE  50          2HG1      ILE  50   0.102   0.564  -2.332
  435   HG21  ILE  50          1HG2      ILE  50  -0.282  -2.660  -4.215
  436   HG22  ILE  50          2HG2      ILE  50  -0.363  -1.934  -5.818
  437   HG23  ILE  50          3HG2      ILE  50  -1.715  -1.763  -4.713
  438   HD11  ILE  50          3HD1      ILE  50  -2.262  -1.283  -2.682
  439   HD12  ILE  50          1HD1      ILE  50  -2.279   0.449  -3.018
  440   HD13  ILE  50          2HD1      ILE  50  -1.988  -0.138  -1.385
  441    H    ASP  51           H        ASP  51   1.681  -2.145  -6.385
  442    HA   ASP  51           HA       ASP  51   2.634  -0.178  -8.403
  443    HB2  ASP  51           1HB      ASP  51   3.204  -2.211  -9.717
  444    HB3  ASP  51           2HB      ASP  51   3.989  -2.190  -8.140
  445    H    ALA  52           H        ALA  52   0.995   0.805  -9.437
  446    HA   ALA  52           HA       ALA  52  -1.507  -0.662 -10.091
  447    HB1  ALA  52           3HB      ALA  52  -1.772   1.535  -9.090
  448    HB2  ALA  52           1HB      ALA  52  -2.358   1.569 -10.752
  449    HB3  ALA  52           2HB      ALA  52  -0.787   2.271 -10.349
  450    H    THR  53           H        THR  53   1.457  -0.252 -11.491
  451    HA   THR  53           HA       THR  53   0.791   0.351 -14.210
  452    HB   THR  53           HB       THR  53   3.131   0.499 -13.752
  453    HG1  THR  53           HG1      THR  53   2.715  -2.029 -14.932
  454   HG21  THR  53          3HG2      THR  53   2.862  -2.224 -12.420
  455   HG22  THR  53          1HG2      THR  53   3.257  -0.690 -11.640
  456   HG23  THR  53          2HG2      THR  53   4.402  -1.435 -12.749
  457    H    GLY  54           H        GLY  54   0.664  -1.106 -15.979
  458    HA2  GLY  54           1HA      GLY  54  -0.023  -3.011 -17.105
  459    HA3  GLY  54           2HA      GLY  54   0.410  -3.951 -15.679
  460    H    LYS  55           H        LYS  55  -1.265  -2.623 -13.814
  461    HA   LYS  55           HA       LYS  55  -3.685  -4.055 -14.120
  462    HB2  LYS  55           1HB      LYS  55  -2.748  -1.887 -12.226
  463    HB3  LYS  55           2HB      LYS  55  -4.431  -2.358 -12.193
  464    HG2  LYS  55           1HG      LYS  55  -3.274  -3.635 -10.503
  465    HG3  LYS  55           2HG      LYS  55  -3.688  -4.745 -11.808
  466    HD2  LYS  55           1HD      LYS  55  -1.358  -4.536 -12.697
  467    HD3  LYS  55           2HD      LYS  55  -0.967  -3.435 -11.378
  468    HE2  LYS  55           1HE      LYS  55  -1.873  -6.324 -11.049
  469    HE3  LYS  55           2HE      LYS  55  -0.215  -5.743 -10.866
  470    HZ1  LYS  55           3HZ      LYS  55  -2.561  -4.923  -9.246
  471    HZ2  LYS  55           1HZ      LYS  55  -1.017  -4.238  -9.119
  472    HZ3  LYS  55           2HZ      LYS  55  -1.251  -5.875  -8.725
  473    H    ALA  56           H        ALA  56  -5.791  -3.280 -14.389
  474    HA   ALA  56           HA       ALA  56  -6.080  -0.825 -16.073
  475    HB1  ALA  56           3HB      ALA  56  -7.692  -3.413 -16.115
  476    HB2  ALA  56           1HB      ALA  56  -6.449  -2.966 -17.287
  477    HB3  ALA  56           2HB      ALA  56  -7.932  -2.017 -17.173
  478    H    VAL  57           H        VAL  57  -8.490  -0.206 -16.078
  479    HA   VAL  57           HA       VAL  57  -9.115   0.814 -13.537
  480    HB   VAL  57           HB       VAL  57 -11.060   0.468 -15.875
  481   HG11  VAL  57          1HG1      VAL  57 -12.049   1.253 -13.715
  482   HG12  VAL  57          2HG1      VAL  57 -12.074   2.527 -14.932
  483   HG13  VAL  57          3HG1      VAL  57 -10.854   2.547 -13.664
  484   HG21  VAL  57          3HG2      VAL  57  -8.984   2.649 -15.376
  485   HG22  VAL  57          1HG2      VAL  57 -10.237   2.718 -16.614
  486   HG23  VAL  57          2HG2      VAL  57  -8.971   1.499 -16.709
  487    H    GLY  58           H        GLY  58 -10.652   0.262 -12.056
  488    HA2  GLY  58           1HA      GLY  58 -12.635  -1.120 -11.460
  489    HA3  GLY  58           2HA      GLY  58 -11.797  -2.504 -12.156
  490    H    GLU  59           H        GLU  59 -12.604  -2.832  -9.688
  491    HA   GLU  59           HA       GLU  59 -10.525  -2.041  -7.785
  492    HB2  GLU  59           1HB      GLU  59 -11.998  -3.232  -6.130
  493    HB3  GLU  59           2HB      GLU  59 -12.831  -1.955  -7.019
  494    HG2  GLU  59           1HG      GLU  59 -13.788  -3.649  -8.566
  495    HG3  GLU  59           2HG      GLU  59 -12.981  -4.925  -7.667
  496    H    HIS  60           H        HIS  60  -8.922  -3.254  -7.071
  497    HA   HIS  60           HA       HIS  60  -8.892  -6.173  -7.510
  498    HB2  HIS  60           1HB      HIS  60  -6.635  -4.298  -8.320
  499    HB3  HIS  60           2HB      HIS  60  -6.627  -6.059  -8.448
  500    HD1  HIS  60           HD1      HIS  60  -8.643  -7.059 -10.038
  501    HD2  HIS  60           HD2      HIS  60  -7.687  -3.032 -10.553
  502    HE1  HIS  60           HE1      HIS  60  -9.622  -6.369 -12.270
  503    HE2  HIS  60           HE2      HIS  60  -9.049  -3.918 -12.599
  504    H    THR  61           H        THR  61  -7.678  -7.287  -6.083
  505    HA   THR  61           HA       THR  61  -6.699  -5.817  -3.666
  506    HB   THR  61           HB       THR  61  -7.735  -8.683  -3.807
  507    HG1  THR  61           HG1      THR  61  -9.623  -7.895  -3.353
  508   HG21  THR  61          3HG2      THR  61  -7.784  -8.449  -1.319
  509   HG22  THR  61          1HG2      THR  61  -7.032  -6.862  -1.457
  510   HG23  THR  61          2HG2      THR  61  -6.143  -8.307  -1.943
  511    H    VAL  62           H        VAL  62  -4.604  -6.030  -3.174
  512    HA   VAL  62           HA       VAL  62  -3.051  -8.360  -4.084
  513    HB   VAL  62           HB       VAL  62  -1.321  -6.894  -5.173
  514   HG11  VAL  62          1HG1      VAL  62  -4.044  -6.555  -6.530
  515   HG12  VAL  62          2HG1      VAL  62  -3.148  -8.070  -6.522
  516   HG13  VAL  62          3HG1      VAL  62  -2.465  -6.650  -7.299
  517   HG21  VAL  62          3HG2      VAL  62  -3.468  -4.739  -4.909
  518   HG22  VAL  62          1HG2      VAL  62  -1.961  -4.576  -5.811
  519   HG23  VAL  62          2HG2      VAL  62  -1.922  -4.753  -4.060
  520    H    LYS  63           H        LYS  63  -1.220  -8.720  -2.944
  521    HA   LYS  63           HA       LYS  63  -1.095  -7.717  -0.291
  522    HB2  LYS  63           1HB      LYS  63   1.046  -9.261  -1.810
  523    HB3  LYS  63           2HB      LYS  63   0.869  -9.151  -0.057
  524    HG2  LYS  63           1HG      LYS  63  -1.158 -10.442  -1.940
  525    HG3  LYS  63           2HG      LYS  63   0.023 -11.317  -0.976
  526    HD2  LYS  63           1HD      LYS  63  -1.020 -10.368   1.102
  527    HD3  LYS  63           2HD      LYS  63  -2.252  -9.600   0.112
  528    HE2  LYS  63           1HE      LYS  63  -2.984 -11.793  -0.738
  529    HE3  LYS  63           2HE      LYS  63  -1.756 -12.584   0.257
  530    HZ1  LYS  63           3HZ      LYS  63  -3.589 -10.711   1.561
  531    HZ2  LYS  63           1HZ      LYS  63  -2.860 -12.114   2.174
  532    HZ3  LYS  63           2HZ      LYS  63  -4.193 -12.239   1.126
  533    H    ILE  64           H        ILE  64   0.604  -6.607   0.714
  534    HA   ILE  64           HA       ILE  64   1.689  -4.402  -0.948
  535    HB   ILE  64           HB       ILE  64   1.826  -4.636   2.104
  536   HG12  ILE  64          1HG1      ILE  64  -0.539  -4.957   1.568
  537   HG13  ILE  64          2HG1      ILE  64  -0.331  -3.306   2.134
  538   HG21  ILE  64          1HG2      ILE  64   1.854  -2.159   1.954
  539   HG22  ILE  64          2HG2      ILE  64   1.747  -2.238   0.197
  540   HG23  ILE  64          3HG2      ILE  64   3.180  -2.857   1.022
  541   HD11  ILE  64          3HD1      ILE  64  -0.806  -4.280  -0.687
  542   HD12  ILE  64          1HD1      ILE  64  -0.141  -2.685  -0.388
  543   HD13  ILE  64          2HD1      ILE  64  -1.713  -3.098   0.234
  544    H    TYR  65           H        TYR  65   3.697  -4.688  -1.728
  545    HA   TYR  65           HA       TYR  65   5.566  -6.607  -0.514
  546    HB2  TYR  65           1HB      TYR  65   5.964  -4.785  -2.928
  547    HB3  TYR  65           2HB      TYR  65   7.012  -6.116  -2.439
  548    HD1  TYR  65           HD1      TYR  65   6.199  -8.504  -2.584
  549    HD2  TYR  65           HD2      TYR  65   3.829  -5.218  -4.080
  550    HE1  TYR  65           HE1      TYR  65   4.809 -10.082  -3.892
  551    HE2  TYR  65           HE2      TYR  65   2.456  -6.813  -5.376
  552    HH   TYR  65           HH       TYR  65   2.589  -9.017  -6.298
  553    H    TRP  66           H        TRP  66   6.073  -5.614   1.451
  554    HA   TRP  66           HA       TRP  66   7.278  -2.942   1.460
  555    HB2  TRP  66           1HB      TRP  66   7.351  -3.308   3.958
  556    HB3  TRP  66           2HB      TRP  66   5.745  -3.379   3.263
  557    HD1  TRP  66           HD1      TRP  66   8.520  -5.984   3.930
  558    HE1  TRP  66           HE1      TRP  66   7.458  -8.051   4.966
  559    HE3  TRP  66           HE3      TRP  66   3.641  -4.525   3.910
  560    HZ2  TRP  66           HZ2      TRP  66   4.862  -9.008   5.669
  561    HZ3  TRP  66           HZ3      TRP  66   1.882  -6.055   4.759
  562    HH2  TRP  66           HH2      TRP  66   2.488  -8.293   5.638
  563    H    GLN  67           H        GLN  67   9.293  -2.645   2.741
  564    HA   GLN  67           HA       GLN  67  11.241  -4.879   2.475
  565    HB2  GLN  67           1HB      GLN  67  11.679  -2.076   1.385
  566    HB3  GLN  67           2HB      GLN  67  12.901  -3.348   1.467
  567    HG2  GLN  67           1HG      GLN  67  11.473  -4.773  -0.014
  568    HG3  GLN  67           2HG      GLN  67  10.313  -3.451  -0.142
  569   HE21  GLN  67          2HE2      GLN  67  10.923  -1.570  -1.398
  570   HE22  GLN  67          1HE2      GLN  67  12.277  -1.588  -2.422
  571    H    LEU  68           H        LEU  68  12.478  -5.065   4.190
  572    HA   LEU  68           HA       LEU  68  12.889  -2.741   5.965
  573    HB2  LEU  68           1HB      LEU  68  12.709  -5.400   7.336
  574    HB3  LEU  68           2HB      LEU  68  12.286  -3.794   7.899
  575    HG   LEU  68           HG       LEU  68  10.319  -3.924   6.106
  576   HD11  LEU  68          1HD1      LEU  68  10.727  -5.874   4.860
  577   HD12  LEU  68          2HD1      LEU  68   9.520  -6.422   6.003
  578   HD13  LEU  68          3HD1      LEU  68  11.202  -6.828   6.257
  579   HD21  LEU  68          3HD2      LEU  68   8.841  -5.013   7.767
  580   HD22  LEU  68          1HD2      LEU  68   9.933  -3.853   8.524
  581   HD23  LEU  68          2HD2      LEU  68  10.262  -5.573   8.639
  582    HA   PRO  69           HA       PRO  69  17.125  -4.266   5.316
  583    HB2  PRO  69           1HB      PRO  69  18.521  -2.149   6.284
  584    HB3  PRO  69           2HB      PRO  69  17.563  -2.007   4.795
  585    HG2  PRO  69           1HG      PRO  69  16.840  -1.122   7.585
  586    HG3  PRO  69           2HG      PRO  69  16.650  -0.250   6.047
  587    HD2  PRO  69           1HD      PRO  69  14.582  -1.689   7.252
  588    HD3  PRO  69           2HD      PRO  69  14.672  -1.365   5.509
  589    H    ALA  70           H        ALA  70  16.368  -5.912   7.059
  590    HA   ALA  70           HA       ALA  70  18.359  -6.050   9.131
  591    HB1  ALA  70           3HB      ALA  70  16.857  -5.939  11.072
  592    HB2  ALA  70           1HB      ALA  70  15.487  -5.637  10.005
  593    HB3  ALA  70           2HB      ALA  70  16.758  -4.440  10.159
  594    H    GLY  71           H        GLY  71  16.834  -7.740  10.866
  595    HA2  GLY  71           1HA      GLY  71  16.555 -10.211   9.194
  596    HA3  GLY  71           2HA      GLY  71  17.116 -10.157  10.863
  597    H    ILE  72           H        ILE  72  14.354  -8.575   9.312
  598    HA   ILE  72           HA       ILE  72  12.565  -9.552  11.444
  599    HB   ILE  72           HB       ILE  72  12.160  -7.496   9.231
  600   HG12  ILE  72          1HG1      ILE  72  12.426  -7.082  12.260
  601   HG13  ILE  72          2HG1      ILE  72  13.777  -6.910  11.152
  602   HG21  ILE  72          1HG2      ILE  72   9.994  -8.507   9.827
  603   HG22  ILE  72          2HG2      ILE  72  10.082  -6.930  10.572
  604   HG23  ILE  72          3HG2      ILE  72  10.373  -8.363  11.539
  605   HD11  ILE  72          3HD1      ILE  72  11.201  -5.302  11.025
  606   HD12  ILE  72          1HD1      ILE  72  12.571  -5.139   9.930
  607   HD13  ILE  72          2HD1      ILE  72  12.749  -4.721  11.630
  608    H    GLU  73           H        GLU  73  10.715 -10.673  11.040
  609    HA   GLU  73           HA       GLU  73  10.535 -12.153   8.455
  610    HB2  GLU  73           1HB      GLU  73   9.484 -12.882  11.216
  611    HB3  GLU  73           2HB      GLU  73   9.357 -13.880   9.763
  612    HG2  GLU  73           1HG      GLU  73  11.978 -12.996  11.052
  613    HG3  GLU  73           2HG      GLU  73  11.252 -14.586  11.232
  614    H    MET  74           H        MET  74   8.390 -12.715   7.761
  615    HA   MET  74           HA       MET  74   6.412 -10.512   8.208
  616    HB2  MET  74           1HB      MET  74   5.546 -11.375   5.892
  617    HB3  MET  74           2HB      MET  74   7.032 -10.430   5.917
  618    HG2  MET  74           1HG      MET  74   8.382 -12.492   5.815
  619    HG3  MET  74           2HG      MET  74   6.922 -13.465   5.859
  620    HE1  MET  74           3HE      MET  74   8.605 -11.021   2.382
  621    HE2  MET  74           1HE      MET  74   9.523 -11.962   3.565
  622    HE3  MET  74           2HE      MET  74   8.654 -10.515   4.066
  623    H    VAL  75           H        VAL  75   4.987 -11.190   9.658
  624    HA   VAL  75           HA       VAL  75   4.259 -13.876  10.196
  625    HB   VAL  75           HB       VAL  75   2.656 -11.338  10.692
  626   HG11  VAL  75          1HG1      VAL  75   1.168 -13.278  10.906
  627   HG12  VAL  75          2HG1      VAL  75   1.542 -12.677  12.510
  628   HG13  VAL  75          3HG1      VAL  75   2.354 -14.118  11.896
  629   HG21  VAL  75          3HG2      VAL  75   3.662 -11.408  12.935
  630   HG22  VAL  75          1HG2      VAL  75   4.935 -11.401  11.724
  631   HG23  VAL  75          2HG2      VAL  75   4.508 -12.898  12.527
  632    H    SER  76           H        SER  76   1.863 -11.549   9.024
  633    HA   SER  76           HA       SER  76   1.270 -12.821   6.552
  634    HB2  SER  76           1HB      SER  76  -0.298 -13.651   8.994
  635    HB3  SER  76           2HB      SER  76  -1.005 -13.743   7.386
  636    HG   SER  76           HG       SER  76   1.211 -14.879   6.988
  637    H    ILE  77           H        ILE  77  -0.651 -11.886   5.588
  638    HA   ILE  77           HA       ILE  77  -2.062 -10.174   5.100
  639    HB   ILE  77           HB       ILE  77  -3.775  -9.863   6.713
  640   HG12  ILE  77          1HG1      ILE  77  -1.791  -9.724   9.017
  641   HG13  ILE  77          2HG1      ILE  77  -2.443  -8.330   8.220
  642   HG21  ILE  77          1HG2      ILE  77  -2.466 -12.042   8.300
  643   HG22  ILE  77          2HG2      ILE  77  -3.069 -12.326   6.669
  644   HG23  ILE  77          3HG2      ILE  77  -4.169 -11.790   7.940
  645   HD11  ILE  77          3HD1      ILE  77  -4.731  -9.151   8.866
  646   HD12  ILE  77          1HD1      ILE  77  -3.684  -8.670  10.198
  647   HD13  ILE  77          2HD1      ILE  77  -3.917 -10.377   9.844
  648    HA   PRO  78           HA       PRO  78  -3.550  -8.311   5.622
  649    HB2  PRO  78           1HB      PRO  78  -4.257  -5.762   5.748
  650    HB3  PRO  78           2HB      PRO  78  -3.887  -6.664   7.232
  651    HG2  PRO  78           1HG      PRO  78  -2.311  -4.523   5.954
  652    HG3  PRO  78           2HG      PRO  78  -2.208  -5.170   7.597
  653    HD2  PRO  78           1HD      PRO  78  -0.546  -5.918   5.219
  654    HD3  PRO  78           2HD      PRO  78  -0.237  -6.289   6.929
  655    H    ASP  79           H        ASP  79  -4.993  -7.332   4.037
  656    HA   ASP  79           HA       ASP  79  -3.581  -6.867   1.457
  657    HB2  ASP  79           1HB      ASP  79  -5.850  -7.799   0.545
  658    HB3  ASP  79           2HB      ASP  79  -4.706  -8.936   1.223
  659    H    VAL  80           H        VAL  80  -4.665  -5.479   0.017
  660    HA   VAL  80           HA       VAL  80  -6.516  -3.502   1.293
  661    HB   VAL  80           HB       VAL  80  -4.075  -2.843  -0.412
  662   HG11  VAL  80          1HG1      VAL  80  -6.162  -1.076   0.944
  663   HG12  VAL  80          2HG1      VAL  80  -5.894  -1.230  -0.792
  664   HG13  VAL  80          3HG1      VAL  80  -4.671  -0.477   0.222
  665   HG21  VAL  80          3HG2      VAL  80  -3.453  -3.549   1.886
  666   HG22  VAL  80          1HG2      VAL  80  -4.623  -2.419   2.565
  667   HG23  VAL  80          2HG2      VAL  80  -3.213  -1.814   1.697
  668    H    THR  81           H        THR  81  -8.197  -3.042   0.144
  669    HA   THR  81           HA       THR  81  -8.277  -3.642  -2.781
  670    HB   THR  81           HB       THR  81 -10.616  -3.929  -0.825
  671    HG1  THR  81           HG1      THR  81  -9.648  -5.692  -0.296
  672   HG21  THR  81          3HG2      THR  81 -11.625  -5.165  -2.725
  673   HG22  THR  81          1HG2      THR  81 -10.185  -4.869  -3.702
  674   HG23  THR  81          2HG2      THR  81 -11.217  -3.522  -3.212
  675    H    TYR  82           H        TYR  82  -8.985  -2.063  -4.014
  676    HA   TYR  82           HA       TYR  82 -10.544   0.201  -2.934
  677    HB2  TYR  82           1HB      TYR  82  -8.993   1.864  -3.866
  678    HB3  TYR  82           2HB      TYR  82  -8.211   0.907  -2.618
  679    HD1  TYR  82           HD2      TYR  82  -8.430   1.482  -6.299
  680    HD2  TYR  82           HD1      TYR  82  -6.364  -0.646  -3.171
  681    HE1  TYR  82           HE2      TYR  82  -6.658   0.826  -7.901
  682    HE2  TYR  82           HE1      TYR  82  -4.602  -1.292  -4.785
  683    HH   TYR  82           HH       TYR  82  -4.313  -1.557  -7.191
  684    H    THR  83           H        THR  83 -10.760   1.835  -4.901
  685    HA   THR  83           HA       THR  83 -11.526   0.254  -7.340
  686    HB   THR  83           HB       THR  83 -13.145   2.546  -6.139
  687    HG1  THR  83           HG1      THR  83 -13.153  -0.203  -5.775
  688   HG21  THR  83          3HG2      THR  83 -13.405   2.277  -8.603
  689   HG22  THR  83          1HG2      THR  83 -14.865   1.764  -7.761
  690   HG23  THR  83          2HG2      THR  83 -13.740   0.564  -8.382
  691    H    LEU  84           H        LEU  84 -10.815   1.021  -9.191
  692    HA   LEU  84           HA       LEU  84  -9.638   3.745  -9.287
  693    HB2  LEU  84           1HB      LEU  84  -8.110   1.779  -9.728
  694    HB3  LEU  84           2HB      LEU  84  -9.065   1.398 -11.139
  695    HG   LEU  84           HG       LEU  84  -8.519   3.622 -12.127
  696   HD11  LEU  84          1HD1      LEU  84  -7.126   4.065  -9.457
  697   HD12  LEU  84          2HD1      LEU  84  -8.148   5.162 -10.383
  698   HD13  LEU  84          3HD1      LEU  84  -6.508   4.869 -10.901
  699   HD21  LEU  84          3HD2      LEU  84  -7.055   1.821 -12.753
  700   HD22  LEU  84          1HD2      LEU  84  -6.163   1.911 -11.235
  701   HD23  LEU  84          2HD2      LEU  84  -6.018   3.205 -12.418
  702    H    LYS  85           H        LYS  85 -10.300   5.192 -10.803
  703    HA   LYS  85           HA       LYS  85 -12.195   4.384 -12.932
  704    HB2  LYS  85           1HB      LYS  85 -12.833   6.058 -10.556
  705    HB3  LYS  85           2HB      LYS  85 -13.320   6.794 -12.076
  706    HG2  LYS  85           1HG      LYS  85 -14.619   4.812 -12.695
  707    HG3  LYS  85           2HG      LYS  85 -14.064   3.943 -11.265
  708    HD2  LYS  85           1HD      LYS  85 -15.490   6.611 -10.874
  709    HD3  LYS  85           2HD      LYS  85 -16.453   5.188 -11.260
  710    HE2  LYS  85           1HE      LYS  85 -14.475   5.244  -8.958
  711    HE3  LYS  85           2HE      LYS  85 -16.199   5.593  -8.784
  712    HZ1  LYS  85           3HZ      LYS  85 -16.376   3.357 -10.123
  713    HZ2  LYS  85           1HZ      LYS  85 -16.227   3.365  -8.435
  714    HZ3  LYS  85           2HZ      LYS  85 -14.867   3.070  -9.408
  715    H    ALA  86           H        ALA  86 -12.549   6.031 -14.523
  716    HA   ALA  86           HA       ALA  86 -10.077   7.192 -15.407
  717    HB1  ALA  86           3HB      ALA  86 -11.377   7.836 -17.394
  718    HB2  ALA  86           1HB      ALA  86 -12.877   7.396 -16.562
  719    HB3  ALA  86           2HB      ALA  86 -11.693   6.154 -16.958
  720    H    LYS  87           H        LYS  87  -9.685   9.369 -15.843
  721    HA   LYS  87           HA       LYS  87 -10.326  11.188 -13.855
  722    HB2  LYS  87           1HB      LYS  87  -8.385  11.412 -15.393
  723    HB3  LYS  87           2HB      LYS  87  -9.487  11.786 -16.712
  724    HG2  LYS  87           1HG      LYS  87  -8.598  13.888 -15.908
  725    HG3  LYS  87           2HG      LYS  87 -10.266  13.829 -15.373
  726    HD2  LYS  87           1HD      LYS  87  -9.538  13.147 -13.106
  727    HD3  LYS  87           2HD      LYS  87  -7.867  13.096 -13.653
  728    HE2  LYS  87           1HE      LYS  87  -7.954  15.520 -14.109
  729    HE3  LYS  87           2HE      LYS  87  -9.640  15.558 -13.583
  730    HZ1  LYS  87           3HZ      LYS  87  -8.017  16.186 -11.831
  731    HZ2  LYS  87           1HZ      LYS  87  -7.395  14.610 -11.889
  732    HZ3  LYS  87           2HZ      LYS  87  -9.006  14.871 -11.407
  733    H    GLU  88           H        GLU  88 -12.009  12.508 -13.477
  734    HA   GLU  88           HA       GLU  88 -13.725  13.578 -15.517
  735    HB2  GLU  88           1HB      GLU  88 -15.797  12.422 -14.798
  736    HB3  GLU  88           2HB      GLU  88 -14.619  11.279 -15.439
  737    HG2  GLU  88           1HG      GLU  88 -13.909  10.742 -13.086
  738    HG3  GLU  88           2HG      GLU  88 -15.174  11.811 -12.484
  739    H    ASP  89           H        ASP  89 -12.067  14.220 -13.046
  740    HA   ASP  89           HA       ASP  89 -13.563  14.934 -10.885
  741    HB2  ASP  89           1HB      ASP  89 -11.107  15.072 -11.002
  742    HB3  ASP  89           2HB      ASP  89 -11.243  16.529 -11.980
  743    HA   PRO  90           HA       PRO  90 -15.970  18.297 -12.914
  744    HB2  PRO  90           1HB      PRO  90 -18.058  18.458 -11.237
  745    HB3  PRO  90           2HB      PRO  90 -17.820  16.985 -12.209
  746    HG2  PRO  90           1HG      PRO  90 -17.063  17.473  -9.327
  747    HG3  PRO  90           2HG      PRO  90 -17.917  16.081 -10.033
  748    HD2  PRO  90           1HD      PRO  90 -15.167  16.094  -9.546
  749    HD3  PRO  90           2HD      PRO  90 -15.924  15.111 -10.804
  750    H    LEU  91           H        LEU  91 -14.744  18.235  -9.659
  751    HA   LEU  91           HA       LEU  91 -15.334  20.892  -8.845
  752    HB2  LEU  91           1HB      LEU  91 -12.951  19.181  -8.022
  753    HB3  LEU  91           2HB      LEU  91 -13.662  20.512  -7.100
  754    HG   LEU  91           HG       LEU  91 -15.065  17.885  -7.799
  755   HD11  LEU  91          1HD1      LEU  91 -13.965  18.906  -5.149
  756   HD12  LEU  91          2HD1      LEU  91 -13.279  17.600  -6.123
  757   HD13  LEU  91          3HD1      LEU  91 -14.866  17.406  -5.379
  758   HD21  LEU  91          3HD2      LEU  91 -16.807  19.509  -7.614
  759   HD22  LEU  91          1HD2      LEU  91 -16.013  20.365  -6.296
  760   HD23  LEU  91          2HD2      LEU  91 -16.746  18.783  -6.019
  761    H    GLU  92           H        GLU  92 -12.514  19.533 -10.508
  762    HA   GLU  92           HA       GLU  92 -11.262  22.214 -10.739
  763    HB2  GLU  92           1HB      GLU  92 -10.320  19.443 -11.581
  764    HB3  GLU  92           2HB      GLU  92  -9.379  20.925 -11.778
  765    HG2  GLU  92           1HG      GLU  92  -9.431  21.290  -9.323
  766    HG3  GLU  92           2HG      GLU  92 -10.369  19.814  -9.119
  767    H    HIS  93           H        HIS  93 -11.336  19.664 -13.206
  768    HA   HIS  93           HA       HIS  93 -11.792  21.605 -15.316
  769    HB2  HIS  93           1HB      HIS  93 -11.665  18.562 -15.415
  770    HB3  HIS  93           2HB      HIS  93 -11.573  19.653 -16.803
  771    HD1  HIS  93           HD1      HIS  93  -9.579  18.283 -13.973
  772    HD2  HIS  93           HD2      HIS  93  -9.125  21.192 -16.924
  773    HE1  HIS  93           HE1      HIS  93  -7.120  18.893 -14.006
  774    HE2  HIS  93           HE2      HIS  93  -6.827  20.666 -15.800
  775    H    HIS  94           H        HIS  94 -13.489  21.408 -16.864
  776    HA   HIS  94           HA       HIS  94 -16.079  21.330 -15.702
  777    HB2  HIS  94           1HB      HIS  94 -15.178  22.594 -17.856
  778    HB3  HIS  94           2HB      HIS  94 -15.680  21.147 -18.720
  779    HD1  HIS  94           HD1      HIS  94 -16.934  24.319 -17.686
  780    HD2  HIS  94           HD2      HIS  94 -18.585  20.505 -17.872
  781    HE1  HIS  94           HE1      HIS  94 -19.445  24.623 -17.603
  782    HE2  HIS  94           HE2      HIS  94 -20.469  22.302 -17.719
  783    H    HIS  95           H        HIS  95 -17.655  19.800 -15.720
  784    HA   HIS  95           HA       HIS  95 -17.038  17.078 -15.806
  785    HB2  HIS  95           1HB      HIS  95 -19.004  18.055 -14.629
  786    HB3  HIS  95           2HB      HIS  95 -19.778  18.359 -16.182
  787    HD1  HIS  95           HD1      HIS  95 -21.141  16.462 -17.124
  788    HD2  HIS  95           HD2      HIS  95 -18.454  15.149 -14.225
  789    HE1  HIS  95           HE1      HIS  95 -21.585  13.991 -16.807
  790    HE2  HIS  95           HE2      HIS  95 -19.954  13.175 -15.039
  791    H    HIS  96           H        HIS  96 -19.167  18.760 -18.144
  792    HA   HIS  96           HA       HIS  96 -17.952  17.340 -20.410
  793    HB2  HIS  96           1HB      HIS  96 -20.091  16.338 -21.137
  794    HB3  HIS  96           2HB      HIS  96 -19.613  15.713 -19.560
  795    HD1  HIS  96           HD1      HIS  96 -20.541  18.307 -17.948
  796    HD2  HIS  96           HD2      HIS  96 -22.876  16.174 -20.662
  797    HE1  HIS  96           HE1      HIS  96 -22.952  18.811 -17.366
  798    HE2  HIS  96           HE2      HIS  96 -24.390  17.518 -19.012
  799    H    HIS  97           H        HIS  97 -18.502  18.211 -22.408
  800    HA   HIS  97           HA       HIS  97 -19.044  21.017 -22.437
  801    HB2  HIS  97           1HB      HIS  97 -17.589  19.874 -24.099
  802    HB3  HIS  97           2HB      HIS  97 -18.996  19.055 -24.771
  803    HD1  HIS  97           HD1      HIS  97 -17.753  22.608 -24.147
  804    HD2  HIS  97           HD2      HIS  97 -20.315  20.548 -26.710
  805    HE1  HIS  97           HE1      HIS  97 -18.556  24.292 -25.860
  806    HE2  HIS  97           HE2      HIS  97 -20.119  23.052 -27.431
  807    H    HIS  98           H        HIS  98 -20.911  22.083 -22.695
  808    HA   HIS  98           HA       HIS  98 -23.443  20.782 -22.508
  809    HB2  HIS  98           1HB      HIS  98 -22.994  23.069 -21.637
  810    HB3  HIS  98           2HB      HIS  98 -22.812  23.660 -23.285
  811    HD1  HIS  98           HD1      HIS  98 -24.968  23.824 -24.745
  812    HD2  HIS  98           HD2      HIS  98 -25.676  22.552 -20.838
  813    HE1  HIS  98           HE1      HIS  98 -27.472  23.954 -24.393
  814    HE2  HIS  98           HE2      HIS  98 -27.921  23.182 -22.015
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1  -2.055  24.657   6.377
    2    H2   MET   1           2H       MET   1  -1.601  23.048   6.074
    3    H3   MET   1           3H       MET   1  -0.472  24.303   5.879
    4    HA   MET   1           HA       MET   1  -0.227  24.644   8.141
    5    HB2  MET   1           1HB      MET   1  -2.693  24.708   8.568
    6    HB3  MET   1           2HB      MET   1  -2.739  22.949   8.518
    7    HG2  MET   1           1HG      MET   1  -1.214  22.844  10.472
    8    HG3  MET   1           2HG      MET   1  -1.113  24.606  10.494
    9    HE1  MET   1           3HE      MET   1  -3.180  23.828  13.651
   10    HE2  MET   1           1HE      MET   1  -1.841  24.756  12.964
   11    HE3  MET   1           2HE      MET   1  -1.787  22.996  12.965
   12    H    LYS   2           H        LYS   2  -1.356  21.567   6.800
   13    HA   LYS   2           HA       LYS   2   1.167  20.262   7.219
   14    HB2  LYS   2           1HB      LYS   2   0.362  18.541   8.852
   15    HB3  LYS   2           2HB      LYS   2   0.409  20.160   9.551
   16    HG2  LYS   2           1HG      LYS   2  -2.036  20.410   9.132
   17    HG3  LYS   2           2HG      LYS   2  -2.089  18.777   8.467
   18    HD2  LYS   2           1HD      LYS   2  -1.335  17.854  10.637
   19    HD3  LYS   2           2HD      LYS   2  -1.249  19.484  11.308
   20    HE2  LYS   2           1HE      LYS   2  -3.368  18.368  11.960
   21    HE3  LYS   2           2HE      LYS   2  -3.687  19.770  10.938
   22    HZ1  LYS   2           3HZ      LYS   2  -4.382  18.487   9.238
   23    HZ2  LYS   2           1HZ      LYS   2  -4.716  17.376  10.477
   24    HZ3  LYS   2           2HZ      LYS   2  -3.286  17.233   9.572
   25    H    THR   3           H        THR   3   1.198  18.109   6.390
   26    HA   THR   3           HA       THR   3  -0.454  17.747   4.070
   27    HB   THR   3           HB       THR   3   0.789  15.637   3.790
   28    HG1  THR   3           HG1      THR   3   2.256  15.045   5.446
   29   HG21  THR   3          3HG2      THR   3   2.580  17.867   4.834
   30   HG22  THR   3          1HG2      THR   3   1.939  17.763   3.193
   31   HG23  THR   3          2HG2      THR   3   3.084  16.551   3.774
   32    H    LEU   4           H        LEU   4  -1.690  15.715   3.668
   33    HA   LEU   4           HA       LEU   4  -3.717  15.339   5.682
   34    HB2  LEU   4           1HB      LEU   4  -3.244  13.712   3.140
   35    HB3  LEU   4           2HB      LEU   4  -4.754  13.856   4.043
   36    HG   LEU   4           HG       LEU   4  -3.340  16.121   2.560
   37   HD11  LEU   4          1HD1      LEU   4  -5.919  14.639   1.921
   38   HD12  LEU   4          2HD1      LEU   4  -4.390  14.464   1.054
   39   HD13  LEU   4          3HD1      LEU   4  -5.261  15.997   1.007
   40   HD21  LEU   4          3HD2      LEU   4  -5.884  16.092   4.247
   41   HD22  LEU   4          1HD2      LEU   4  -5.599  17.327   3.016
   42   HD23  LEU   4          2HD2      LEU   4  -4.498  17.177   4.370
   43    H    TYR   5           H        TYR   5  -3.241  14.220   7.482
   44    HA   TYR   5           HA       TYR   5  -2.530  12.549   8.908
   45    HB2  TYR   5           1HB      TYR   5  -2.964  10.789   6.455
   46    HB3  TYR   5           2HB      TYR   5  -2.872  10.231   8.122
   47    HD1  TYR   5           HD2      TYR   5  -4.691  10.797   9.765
   48    HD2  TYR   5           HD1      TYR   5  -5.000  11.929   5.610
   49    HE1  TYR   5           HE2      TYR   5  -7.115  11.237  10.050
   50    HE2  TYR   5           HE1      TYR   5  -7.421  12.362   5.921
   51    HH   TYR   5           HH       TYR   5  -9.211  11.221   8.255
   52    H    ASP   6           H        ASP   6  -0.956  10.412   8.816
   53    HA   ASP   6           HA       ASP   6   1.684  11.469   8.128
   54    HB2  ASP   6           1HB      ASP   6   0.853   8.844   9.432
   55    HB3  ASP   6           2HB      ASP   6   2.498   9.475   9.336
   56    H    LEU   7           H        LEU   7  -0.598  10.051   6.306
   57    HA   LEU   7           HA       LEU   7  -0.633   8.781   4.390
   58    HB2  LEU   7           1HB      LEU   7   2.272   9.635   4.188
   59    HB3  LEU   7           2HB      LEU   7   1.245   9.127   2.848
   60    HG   LEU   7           HG       LEU   7   0.712  11.601   4.569
   61   HD11  LEU   7          1HD1      LEU   7   1.933  11.418   1.790
   62   HD12  LEU   7          2HD1      LEU   7   2.795  11.864   3.262
   63   HD13  LEU   7          3HD1      LEU   7   1.523  12.911   2.638
   64   HD21  LEU   7          3HD2      LEU   7  -0.575  10.583   1.989
   65   HD22  LEU   7          1HD2      LEU   7  -0.822  12.209   2.621
   66   HD23  LEU   7          2HD2      LEU   7  -1.367  10.825   3.543
   67    HA   PRO   8           HA       PRO   8   1.352   5.183   6.707
   68    HB2  PRO   8           1HB      PRO   8  -1.272   4.021   5.684
   69    HB3  PRO   8           2HB      PRO   8  -0.462   3.719   7.243
   70    HG2  PRO   8           1HG      PRO   8  -2.536   5.349   7.199
   71    HG3  PRO   8           2HG      PRO   8  -1.076   5.853   8.089
   72    HD2  PRO   8           1HD      PRO   8  -1.965   6.738   5.314
   73    HD3  PRO   8           2HD      PRO   8  -1.350   7.736   6.657
   74    H    ILE   9           H        ILE   9  -0.471   5.080   3.665
   75    HA   ILE   9           HA       ILE   9   1.686   3.442   2.381
   76    HB   ILE   9           HB       ILE   9  -1.312   3.350   1.874
   77   HG12  ILE   9          1HG1      ILE   9   0.505   1.188   3.070
   78   HG13  ILE   9          2HG1      ILE   9  -0.489   2.256   4.053
   79   HG21  ILE   9          1HG2      ILE   9  -0.065   2.900  -0.217
   80   HG22  ILE   9          2HG2      ILE   9  -0.671   1.371   0.389
   81   HG23  ILE   9          3HG2      ILE   9   1.020   1.796   0.631
   82   HD11  ILE   9          3HD1      ILE   9  -1.608   0.098   3.665
   83   HD12  ILE   9          1HD1      ILE   9  -1.566   0.377   1.925
   84   HD13  ILE   9          2HD1      ILE   9  -2.517   1.436   2.967
   85    H    VAL  10           H        VAL  10   2.528   4.224   0.599
   86    HA   VAL  10           HA       VAL  10   1.483   6.763  -0.564
   87    HB   VAL  10           HB       VAL  10   4.201   5.442  -0.991
   88   HG11  VAL  10          1HG1      VAL  10   4.830   7.713  -1.828
   89   HG12  VAL  10          2HG1      VAL  10   3.167   8.249  -1.608
   90   HG13  VAL  10          3HG1      VAL  10   3.545   7.014  -2.808
   91   HG21  VAL  10          3HG2      VAL  10   5.036   7.168   0.599
   92   HG22  VAL  10          1HG2      VAL  10   3.888   6.086   1.386
   93   HG23  VAL  10          2HG2      VAL  10   3.378   7.701   0.889
   94    H    LEU  11           H        LEU  11   0.772   6.870  -2.628
   95    HA   LEU  11           HA       LEU  11   0.493   4.326  -4.134
   96    HB2  LEU  11           1HB      LEU  11  -1.428   6.092  -3.567
   97    HB3  LEU  11           2HB      LEU  11  -0.807   6.948  -4.966
   98    HG   LEU  11           HG       LEU  11  -2.617   5.529  -5.745
   99   HD11  LEU  11          1HD1      LEU  11  -0.121   3.989  -6.526
  100   HD12  LEU  11          2HD1      LEU  11  -0.481   5.596  -7.140
  101   HD13  LEU  11          3HD1      LEU  11  -1.580   4.274  -7.466
  102   HD21  LEU  11          3HD2      LEU  11  -2.280   3.835  -3.659
  103   HD22  LEU  11          1HD2      LEU  11  -1.371   2.908  -4.859
  104   HD23  LEU  11          2HD2      LEU  11  -3.055   3.324  -5.150
  105    H    ARG  12           H        ARG  12   2.112   3.901  -5.474
  106    HA   ARG  12           HA       ARG  12   3.533   6.090  -6.928
  107    HB2  ARG  12           1HB      ARG  12   4.835   4.419  -5.502
  108    HB3  ARG  12           2HB      ARG  12   4.400   3.187  -6.680
  109    HG2  ARG  12           1HG      ARG  12   5.513   4.467  -8.475
  110    HG3  ARG  12           2HG      ARG  12   5.919   5.744  -7.333
  111    HD2  ARG  12           1HD      ARG  12   7.252   4.086  -6.008
  112    HD3  ARG  12           2HD      ARG  12   6.928   2.873  -7.248
  113    HE   ARG  12           HE       ARG  12   8.840   5.028  -7.393
  114   HH11  ARG  12          1HH2      ARG  12   6.723   3.001  -9.268
  115   HH12  ARG  12          2HH2      ARG  12   7.585   3.248 -10.750
  116   HH21  ARG  12          1HH1      ARG  12   9.955   5.346  -9.342
  117   HH22  ARG  12          2HH1      ARG  12   9.408   4.573 -10.792
  118    H    ASN  13           H        ASN  13   3.955   5.882  -9.160
  119    HA   ASN  13           HA       ASN  13   3.325   5.588 -11.325
  120    HB2  ASN  13           1HB      ASN  13   2.663   2.758 -10.410
  121    HB3  ASN  13           2HB      ASN  13   2.962   3.282 -12.061
  122   HD21  ASN  13          2HD2      ASN  13   4.477   1.578  -9.768
  123   HD22  ASN  13          1HD2      ASN  13   6.084   2.055 -10.026
  124    H    LEU  14           H        LEU  14   1.403   6.847  -9.793
  125    HA   LEU  14           HA       LEU  14  -1.155   5.630  -9.968
  126    HB2  LEU  14           1HB      LEU  14  -0.330   7.598  -8.454
  127    HB3  LEU  14           2HB      LEU  14  -0.787   8.646  -9.774
  128    HG   LEU  14           HG       LEU  14  -2.741   6.631  -8.511
  129   HD11  LEU  14          1HD1      LEU  14  -3.712   8.518  -7.259
  130   HD12  LEU  14          2HD1      LEU  14  -2.426   9.571  -7.846
  131   HD13  LEU  14          3HD1      LEU  14  -2.042   8.219  -6.781
  132   HD21  LEU  14          3HD2      LEU  14  -4.469   8.229  -9.543
  133   HD22  LEU  14          1HD2      LEU  14  -3.527   7.308 -10.701
  134   HD23  LEU  14          2HD2      LEU  14  -3.138   8.998 -10.406
  135    HA   PRO  15           HA       PRO  15  -1.539   6.370 -14.506
  136    HB2  PRO  15           1HB      PRO  15  -4.425   5.950 -13.781
  137    HB3  PRO  15           2HB      PRO  15  -3.555   5.289 -15.165
  138    HG2  PRO  15           1HG      PRO  15  -4.067   3.733 -13.049
  139    HG3  PRO  15           2HG      PRO  15  -2.489   3.650 -13.855
  140    HD2  PRO  15           1HD      PRO  15  -3.189   4.925 -11.206
  141    HD3  PRO  15           2HD      PRO  15  -1.704   4.118 -11.726
  142    H    GLU  16           H        GLU  16  -2.185   8.170 -15.722
  143    HA   GLU  16           HA       GLU  16  -2.888  10.583 -14.239
  144    HB2  GLU  16           1HB      GLU  16  -2.582  11.654 -16.572
  145    HB3  GLU  16           2HB      GLU  16  -1.154  10.923 -15.852
  146    HG2  GLU  16           1HG      GLU  16  -2.928   9.307 -17.740
  147    HG3  GLU  16           2HG      GLU  16  -1.676  10.370 -18.368
  148    H    ASP  17           H        ASP  17  -4.484   8.401 -16.484
  149    HA   ASP  17           HA       ASP  17  -6.792  10.204 -16.850
  150    HB2  ASP  17           1HB      ASP  17  -6.184   7.425 -17.916
  151    HB3  ASP  17           2HB      ASP  17  -7.549   8.430 -18.402
  152    H    LEU  18           H        LEU  18  -5.822   7.904 -14.601
  153    HA   LEU  18           HA       LEU  18  -8.664   7.328 -13.784
  154    HB2  LEU  18           1HB      LEU  18  -6.399   5.433 -13.094
  155    HB3  LEU  18           2HB      LEU  18  -8.106   5.146 -13.053
  156    HG   LEU  18           HG       LEU  18  -6.571   5.634 -15.648
  157   HD11  LEU  18          1HD1      LEU  18  -6.818   3.188 -16.059
  158   HD12  LEU  18          2HD1      LEU  18  -7.428   3.002 -14.424
  159   HD13  LEU  18          3HD1      LEU  18  -5.789   3.550 -14.688
  160   HD21  LEU  18          3HD2      LEU  18  -8.871   6.167 -16.014
  161   HD22  LEU  18          1HD2      LEU  18  -9.453   4.814 -15.060
  162   HD23  LEU  18          2HD2      LEU  18  -8.702   4.546 -16.635
  163    H    VAL  19           H        VAL  19  -9.106   7.329 -11.565
  164    HA   VAL  19           HA       VAL  19  -7.029   8.366  -9.701
  165    HB   VAL  19           HB       VAL  19  -8.453  10.205  -8.916
  166   HG11  VAL  19          1HG1      VAL  19  -8.221  11.722 -10.818
  167   HG12  VAL  19          2HG1      VAL  19  -8.157  10.377 -11.947
  168   HG13  VAL  19          3HG1      VAL  19  -6.841  10.623 -10.797
  169   HG21  VAL  19          3HG2      VAL  19 -10.401   9.222 -11.055
  170   HG22  VAL  19          1HG2      VAL  19 -10.519  10.832 -10.335
  171   HG23  VAL  19          2HG2      VAL  19 -10.707   9.398  -9.332
  172    H    LEU  20           H        LEU  20  -7.652   8.295  -7.500
  173    HA   LEU  20           HA       LEU  20  -9.216   5.916  -6.863
  174    HB2  LEU  20           1HB      LEU  20  -6.952   6.404  -5.916
  175    HB3  LEU  20           2HB      LEU  20  -7.624   7.801  -5.088
  176    HG   LEU  20           HG       LEU  20  -9.150   6.285  -3.821
  177   HD11  LEU  20          1HD1      LEU  20  -9.533   4.343  -5.086
  178   HD12  LEU  20          2HD1      LEU  20  -8.430   3.754  -3.857
  179   HD13  LEU  20          3HD1      LEU  20  -7.826   4.122  -5.474
  180   HD21  LEU  20          3HD2      LEU  20  -6.978   6.920  -2.843
  181   HD22  LEU  20          1HD2      LEU  20  -6.198   5.561  -3.657
  182   HD23  LEU  20          2HD2      LEU  20  -7.377   5.262  -2.385
  183    H    GLU  21           H        GLU  21 -11.291   5.981  -6.204
  184    HA   GLU  21           HA       GLU  21 -12.680   8.529  -5.801
  185    HB2  GLU  21           1HB      GLU  21 -14.716   7.107  -5.702
  186    HB3  GLU  21           2HB      GLU  21 -13.747   6.778  -7.141
  187    HG2  GLU  21           1HG      GLU  21 -12.755   4.793  -6.032
  188    HG3  GLU  21           2HG      GLU  21 -13.713   5.107  -4.589
  189    H    LYS  22           H        LYS  22 -11.196   6.187  -3.798
  190    HA   LYS  22           HA       LYS  22 -12.137   7.623  -1.418
  191    HB2  LYS  22           1HB      LYS  22 -13.819   5.794  -1.860
  192    HB3  LYS  22           2HB      LYS  22 -12.544   4.612  -1.582
  193    HG2  LYS  22           1HG      LYS  22 -12.212   5.541   0.721
  194    HG3  LYS  22           2HG      LYS  22 -13.519   6.688   0.428
  195    HD2  LYS  22           1HD      LYS  22 -15.106   4.809   0.112
  196    HD3  LYS  22           2HD      LYS  22 -13.801   3.655   0.393
  197    HE2  LYS  22           1HE      LYS  22 -15.154   4.019   2.454
  198    HE3  LYS  22           2HE      LYS  22 -13.483   4.540   2.680
  199    HZ1  LYS  22           3HZ      LYS  22 -14.073   6.765   2.506
  200    HZ2  LYS  22           1HZ      LYS  22 -15.332   6.103   3.430
  201    HZ3  LYS  22           2HZ      LYS  22 -15.570   6.427   1.778
  202    HA   PRO  23           HA       PRO  23  -7.805   6.726  -0.531
  203    HB2  PRO  23           1HB      PRO  23  -7.685   7.288   2.195
  204    HB3  PRO  23           2HB      PRO  23  -7.710   8.545   0.935
  205    HG2  PRO  23           1HG      PRO  23 -10.038   7.415   2.492
  206    HG3  PRO  23           2HG      PRO  23  -9.605   9.124   2.232
  207    HD2  PRO  23           1HD      PRO  23 -11.489   8.031   0.713
  208    HD3  PRO  23           2HD      PRO  23 -10.271   9.061  -0.077
  209    H    LEU  24           H        LEU  24  -6.532   5.111   0.377
  210    HA   LEU  24           HA       LEU  24  -7.357   2.564   0.440
  211    HB2  LEU  24           1HB      LEU  24  -5.188   3.679   2.249
  212    HB3  LEU  24           2HB      LEU  24  -5.318   2.009   1.730
  213    HG   LEU  24           HG       LEU  24  -5.378   3.464  -0.743
  214   HD11  LEU  24          1HD1      LEU  24  -3.246   4.674   1.060
  215   HD12  LEU  24          2HD1      LEU  24  -4.658   5.517   0.431
  216   HD13  LEU  24          3HD1      LEU  24  -3.411   4.949  -0.677
  217   HD21  LEU  24          3HD2      LEU  24  -3.022   2.112   0.622
  218   HD22  LEU  24          1HD2      LEU  24  -3.086   2.525  -1.093
  219   HD23  LEU  24          2HD2      LEU  24  -4.205   1.337  -0.424
  220    HA   PRO  25           HA       PRO  25  -9.836   1.978   4.116
  221    HB2  PRO  25           1HB      PRO  25  -9.580  -0.712   4.657
  222    HB3  PRO  25           2HB      PRO  25 -10.438  -0.124   3.210
  223    HG2  PRO  25           1HG      PRO  25  -7.540  -0.969   3.437
  224    HG3  PRO  25           2HG      PRO  25  -8.772  -1.553   2.288
  225    HD2  PRO  25           1HD      PRO  25  -7.065   0.370   1.515
  226    HD3  PRO  25           2HD      PRO  25  -8.778   0.513   1.069
  227    H    GLU  26           H        GLU  26  -6.493   0.919   4.244
  228    HA   GLU  26           HA       GLU  26  -4.929   0.898   5.869
  229    HB2  GLU  26           1HB      GLU  26  -5.893   3.332   6.016
  230    HB3  GLU  26           2HB      GLU  26  -6.650   2.809   7.515
  231    HG2  GLU  26           1HG      GLU  26  -3.658   2.727   6.910
  232    HG3  GLU  26           2HG      GLU  26  -4.459   3.904   7.944
  233    H    VAL  27           H        VAL  27  -4.455  -0.562   7.421
  234    HA   VAL  27           HA       VAL  27  -6.354  -1.289   9.537
  235    HB   VAL  27           HB       VAL  27  -6.255  -3.741   8.978
  236   HG11  VAL  27          1HG1      VAL  27  -8.235  -2.292   8.293
  237   HG12  VAL  27          2HG1      VAL  27  -8.003  -3.723   7.295
  238   HG13  VAL  27          3HG1      VAL  27  -7.513  -2.151   6.688
  239   HG21  VAL  27          3HG2      VAL  27  -4.232  -3.736   7.544
  240   HG22  VAL  27          1HG2      VAL  27  -5.075  -2.745   6.345
  241   HG23  VAL  27          2HG2      VAL  27  -5.615  -4.390   6.667
  242    H    SER  28           H        SER  28  -5.269  -3.386  10.652
  243    HA   SER  28           HA       SER  28  -2.621  -2.447  11.553
  244    HB2  SER  28           1HB      SER  28  -4.376  -2.917  13.228
  245    HB3  SER  28           2HB      SER  28  -4.477  -4.584  12.664
  246    HG   SER  28           HG       SER  28  -2.468  -3.271  14.100
  247    H    VAL  29           H        VAL  29  -1.094  -4.243  12.195
  248    HA   VAL  29           HA       VAL  29  -1.044  -6.635  10.482
  249    HB   VAL  29           HB       VAL  29  -0.091  -4.924   9.005
  250   HG11  VAL  29          1HG1      VAL  29   1.928  -3.647   9.623
  251   HG12  VAL  29          2HG1      VAL  29   1.939  -4.388  11.210
  252   HG13  VAL  29          3HG1      VAL  29   0.626  -3.304  10.754
  253   HG21  VAL  29          3HG2      VAL  29   0.927  -7.256   9.049
  254   HG22  VAL  29          1HG2      VAL  29   2.201  -6.627  10.096
  255   HG23  VAL  29          2HG2      VAL  29   2.022  -6.014   8.458
  256    H    THR  30           H        THR  30   0.628  -8.122  11.124
  257    HA   THR  30           HA       THR  30   1.688  -7.659  13.893
  258    HB   THR  30           HB       THR  30   0.946 -10.333  12.604
  259    HG1  THR  30           HG1      THR  30  -0.521  -8.814  14.502
  260   HG21  THR  30          3HG2      THR  30   1.018 -11.135  14.943
  261   HG22  THR  30          1HG2      THR  30   1.372  -9.509  15.517
  262   HG23  THR  30          2HG2      THR  30   2.559 -10.376  14.557
  263    H    ILE  31           H        ILE  31   3.842  -7.729  14.077
  264    HA   ILE  31           HA       ILE  31   5.523  -9.085  12.013
  265    HB   ILE  31           HB       ILE  31   6.021  -6.452  13.430
  266   HG12  ILE  31          1HG1      ILE  31   4.404  -6.277  11.564
  267   HG13  ILE  31          2HG1      ILE  31   5.910  -5.473  11.156
  268   HG21  ILE  31          1HG2      ILE  31   7.767  -7.961  11.471
  269   HG22  ILE  31          2HG2      ILE  31   8.158  -7.652  13.161
  270   HG23  ILE  31          3HG2      ILE  31   8.074  -6.316  12.022
  271   HD11  ILE  31          3HD1      ILE  31   6.422  -7.876   9.999
  272   HD12  ILE  31          1HD1      ILE  31   5.525  -6.598   9.183
  273   HD13  ILE  31          2HD1      ILE  31   4.665  -7.912   9.965
  274    H    ARG  32           H        ARG  32   7.422 -10.022  12.739
  275    HA   ARG  32           HA       ARG  32   7.684 -10.515  15.684
  276    HB2  ARG  32           1HB      ARG  32   7.928 -12.466  13.364
  277    HB3  ARG  32           2HB      ARG  32   8.504 -12.852  14.984
  278    HG2  ARG  32           1HG      ARG  32   5.616 -12.000  14.527
  279    HG3  ARG  32           2HG      ARG  32   6.098 -13.673  14.302
  280    HD2  ARG  32           1HD      ARG  32   6.853 -13.791  16.638
  281    HD3  ARG  32           2HD      ARG  32   6.469 -12.094  16.879
  282    HE   ARG  32           HE       ARG  32   4.158 -13.413  15.938
  283   HH11  ARG  32          1HH2      ARG  32   6.219 -13.250  18.732
  284   HH12  ARG  32          2HH2      ARG  32   4.956 -13.646  19.848
  285   HH21  ARG  32          1HH1      ARG  32   2.513 -13.926  17.405
  286   HH22  ARG  32          2HH1      ARG  32   2.863 -14.028  19.098
  287    H    ALA  33           H        ALA  33   9.488  -9.639  16.365
  288    HA   ALA  33           HA       ALA  33  12.027 -10.340  15.291
  289    HB1  ALA  33           3HB      ALA  33  12.466  -8.647  13.794
  290    HB2  ALA  33           1HB      ALA  33  12.071  -7.416  14.995
  291    HB3  ALA  33           2HB      ALA  33  10.810  -8.088  13.975
  292    H    TYR  34           H        TYR  34  13.782  -8.911  16.355
  293    HA   TYR  34           HA       TYR  34  13.465  -9.204  19.162
  294    HB2  TYR  34           1HB      TYR  34  15.611  -7.809  17.523
  295    HB3  TYR  34           2HB      TYR  34  15.750  -8.139  19.239
  296    HD1  TYR  34           HD1      TYR  34  16.013 -10.471  20.082
  297    HD2  TYR  34           HD2      TYR  34  15.678  -9.671  15.857
  298    HE1  TYR  34           HE1      TYR  34  16.773 -12.775  19.576
  299    HE2  TYR  34           HE2      TYR  34  16.444 -11.980  15.370
  300    HH   TYR  34           HH       TYR  34  17.959 -13.912  17.540
  301    HA   PRO  35           HA       PRO  35  11.799  -5.121  20.068
  302    HB2  PRO  35           1HB      PRO  35  12.434  -4.762  22.701
  303    HB3  PRO  35           2HB      PRO  35  11.259  -5.997  22.182
  304    HG2  PRO  35           1HG      PRO  35  14.203  -6.360  22.788
  305    HG3  PRO  35           2HG      PRO  35  12.820  -7.310  23.390
  306    HD2  PRO  35           1HD      PRO  35  14.293  -8.183  21.252
  307    HD3  PRO  35           2HD      PRO  35  12.535  -8.451  21.320
  308    H    GLU  36           H        GLU  36  15.188  -5.783  20.521
  309    HA   GLU  36           HA       GLU  36  16.123  -3.158  21.106
  310    HB2  GLU  36           1HB      GLU  36  18.323  -4.060  20.773
  311    HB3  GLU  36           2HB      GLU  36  17.344  -5.405  21.357
  312    HG2  GLU  36           1HG      GLU  36  17.000  -6.044  18.862
  313    HG3  GLU  36           2HG      GLU  36  18.283  -4.891  18.506
  314    H    ILE  37           H        ILE  37  15.611  -4.846  18.021
  315    HA   ILE  37           HA       ILE  37  16.561  -2.514  16.463
  316    HB   ILE  37           HB       ILE  37  16.101  -3.819  14.452
  317   HG12  ILE  37          1HG1      ILE  37  14.796  -5.816  16.353
  318   HG13  ILE  37          2HG1      ILE  37  14.028  -4.973  15.023
  319   HG21  ILE  37          1HG2      ILE  37  18.212  -4.261  15.924
  320   HG22  ILE  37          2HG2      ILE  37  17.807  -5.497  14.739
  321   HG23  ILE  37          3HG2      ILE  37  17.403  -5.745  16.430
  322   HD11  ILE  37          3HD1      ILE  37  14.415  -7.172  14.218
  323   HD12  ILE  37          1HD1      ILE  37  16.034  -7.235  14.905
  324   HD13  ILE  37          2HD1      ILE  37  15.705  -6.223  13.489
  325    H    LEU  38           H        LEU  38  13.523  -3.966  17.441
  326    HA   LEU  38           HA       LEU  38  11.870  -2.318  15.713
  327    HB2  LEU  38           1HB      LEU  38  11.211  -3.926  18.169
  328    HB3  LEU  38           2HB      LEU  38   9.980  -3.049  17.303
  329    HG   LEU  38           HG       LEU  38  11.741  -5.146  15.926
  330   HD11  LEU  38          1HD1      LEU  38   9.024  -5.583  17.225
  331   HD12  LEU  38          2HD1      LEU  38  10.553  -6.270  17.770
  332   HD13  LEU  38          3HD1      LEU  38   9.874  -6.760  16.221
  333   HD21  LEU  38          3HD2      LEU  38   9.780  -5.234  14.316
  334   HD22  LEU  38          1HD2      LEU  38  10.548  -3.657  14.352
  335   HD23  LEU  38          2HD2      LEU  38   9.034  -3.911  15.207
  336    H    ASN  39           H        ASN  39  13.164  -1.984  18.948
  337    HA   ASN  39           HA       ASN  39  11.605   0.375  19.633
  338    HB2  ASN  39           1HB      ASN  39  12.480  -1.164  21.368
  339    HB3  ASN  39           2HB      ASN  39  14.129  -0.773  20.894
  340   HD21  ASN  39          2HD2      ASN  39  11.268   0.434  22.588
  341   HD22  ASN  39          1HD2      ASN  39  12.018   1.805  23.251
  342    H    ASN  40           H        ASN  40  14.304  -0.232  17.674
  343    HA   ASN  40           HA       ASN  40  15.330   2.569  17.827
  344    HB2  ASN  40           1HB      ASN  40  16.518  -0.045  16.820
  345    HB3  ASN  40           2HB      ASN  40  17.239   1.511  16.440
  346   HD21  ASN  40          2HD2      ASN  40  16.858   2.828  18.977
  347   HD22  ASN  40          1HD2      ASN  40  17.819   2.029  20.126
  348    H    LEU  41           H        LEU  41  13.893   0.171  15.662
  349    HA   LEU  41           HA       LEU  41  14.295   1.586  13.252
  350    HB2  LEU  41           1HB      LEU  41  12.965  -0.862  14.009
  351    HB3  LEU  41           2HB      LEU  41  11.773   0.037  13.136
  352    HG   LEU  41           HG       LEU  41  14.580  -0.543  12.078
  353   HD11  LEU  41          1HD1      LEU  41  13.470  -2.211  10.598
  354   HD12  LEU  41          2HD1      LEU  41  11.959  -1.952  11.483
  355   HD13  LEU  41          3HD1      LEU  41  13.369  -2.615  12.313
  356   HD21  LEU  41          3HD2      LEU  41  12.108   0.731  10.824
  357   HD22  LEU  41          1HD2      LEU  41  13.431   0.087   9.849
  358   HD23  LEU  41          2HD2      LEU  41  13.722   1.401  10.975
  359    H    THR  42           H        THR  42  13.032   3.029  12.144
  360    HA   THR  42           HA       THR  42  10.768   4.301  13.629
  361    HB   THR  42           HB       THR  42  12.610   5.862  13.627
  362    HG1  THR  42           HG1      THR  42  10.356   6.361  12.661
  363   HG21  THR  42          3HG2      THR  42  13.962   4.802  11.814
  364   HG22  THR  42          1HG2      THR  42  13.767   6.538  11.562
  365   HG23  THR  42          2HG2      THR  42  12.795   5.404  10.634
  366    H    LYS  43           H        LYS  43   9.030   4.944  12.455
  367    HA   LYS  43           HA       LYS  43   8.187   3.314  10.348
  368    HB2  LYS  43           1HB      LYS  43   6.304   4.923  10.135
  369    HB3  LYS  43           2HB      LYS  43   6.648   4.513  11.818
  370    HG2  LYS  43           1HG      LYS  43   8.014   6.633  12.015
  371    HG3  LYS  43           2HG      LYS  43   7.523   7.059  10.372
  372    HD2  LYS  43           1HD      LYS  43   5.148   7.032  11.069
  373    HD3  LYS  43           2HD      LYS  43   5.636   6.589  12.707
  374    HE2  LYS  43           1HE      LYS  43   5.197   9.037  12.514
  375    HE3  LYS  43           2HE      LYS  43   6.880   8.711  12.934
  376    HZ1  LYS  43           3HZ      LYS  43   6.180   8.892  10.099
  377    HZ2  LYS  43           1HZ      LYS  43   7.611   9.340  10.892
  378    HZ3  LYS  43           2HZ      LYS  43   6.239  10.334  10.992
  379    H    GLU  44           H        GLU  44   9.785   6.453  10.227
  380    HA   GLU  44           HA       GLU  44   9.399   7.089   7.508
  381    HB2  GLU  44           1HB      GLU  44  11.764   7.730   9.313
  382    HB3  GLU  44           2HB      GLU  44  11.404   8.537   7.784
  383    HG2  GLU  44           1HG      GLU  44   9.226   9.302   8.701
  384    HG3  GLU  44           2HG      GLU  44   9.584   8.497  10.226
  385    H    GLN  45           H        GLN  45  11.391   4.673   8.975
  386    HA   GLN  45           HA       GLN  45  13.221   4.390   6.716
  387    HB2  GLN  45           1HB      GLN  45  13.931   3.934   9.054
  388    HB3  GLN  45           2HB      GLN  45  12.817   2.580   9.100
  389    HG2  GLN  45           1HG      GLN  45  14.066   1.447   7.287
  390    HG3  GLN  45           2HG      GLN  45  15.119   2.848   7.117
  391   HE21  GLN  45          2HE2      GLN  45  15.855   3.450   9.711
  392   HE22  GLN  45          1HE2      GLN  45  16.631   2.124  10.435
  393    H    ILE  46           H        ILE  46  10.395   2.658   8.004
  394    HA   ILE  46           HA       ILE  46  10.514   0.427   6.282
  395    HB   ILE  46           HB       ILE  46   7.949   1.670   7.392
  396   HG12  ILE  46          1HG1      ILE  46   9.524   1.527   9.259
  397   HG13  ILE  46          2HG1      ILE  46   8.343   0.239   9.424
  398   HG21  ILE  46          1HG2      ILE  46   8.712  -1.218   6.776
  399   HG22  ILE  46          2HG2      ILE  46   7.645  -0.214   5.803
  400   HG23  ILE  46          3HG2      ILE  46   7.164  -0.682   7.431
  401   HD11  ILE  46          3HD1      ILE  46  10.133  -1.258   8.235
  402   HD12  ILE  46          1HD1      ILE  46  10.401  -0.790   9.910
  403   HD13  ILE  46          2HD1      ILE  46  11.241   0.054   8.617
  404    H    SER  47           H        SER  47  10.035   0.183   4.187
  405    HA   SER  47           HA       SER  47   8.948   2.475   2.643
  406    HB2  SER  47           1HB      SER  47  11.157   1.250   2.075
  407    HB3  SER  47           2HB      SER  47  10.134  -0.033   1.454
  408    HG   SER  47           HG       SER  47   9.419   2.528   0.715
  409    H    LEU  48           H        LEU  48   6.861   2.444   2.245
  410    HA   LEU  48           HA       LEU  48   5.453  -0.107   1.600
  411    HB2  LEU  48           1HB      LEU  48   4.771   1.978   3.685
  412    HB3  LEU  48           2HB      LEU  48   3.454   1.101   2.932
  413    HG   LEU  48           HG       LEU  48   5.814  -0.396   4.186
  414   HD11  LEU  48          1HD1      LEU  48   4.902   1.047   5.951
  415   HD12  LEU  48          2HD1      LEU  48   4.526  -0.644   6.262
  416   HD13  LEU  48          3HD1      LEU  48   3.280   0.434   5.629
  417   HD21  LEU  48          3HD2      LEU  48   3.877  -2.145   4.508
  418   HD22  LEU  48          1HD2      LEU  48   4.532  -1.919   2.901
  419   HD23  LEU  48          2HD2      LEU  48   2.991  -1.189   3.346
  420    H    TRP  49           H        TRP  49   4.629   0.035  -0.339
  421    HA   TRP  49           HA       TRP  49   2.995   2.251  -1.125
  422    HB2  TRP  49           1HB      TRP  49   4.290   3.147  -2.922
  423    HB3  TRP  49           2HB      TRP  49   5.473   2.921  -1.637
  424    HD1  TRP  49           HD1      TRP  49   4.421   1.524  -5.005
  425    HE1  TRP  49           HE1      TRP  49   6.243  -0.038  -5.906
  426    HE3  TRP  49           HE3      TRP  49   7.398   1.236  -0.885
  427    HZ2  TRP  49           HZ2      TRP  49   8.641  -1.281  -4.989
  428    HZ3  TRP  49           HZ3      TRP  49   9.442  -0.174  -0.922
  429    HH2  TRP  49           HH2      TRP  49  10.068  -1.428  -2.964
  430    H    ILE  50           H        ILE  50   2.555   1.840  -3.679
  431    HA   ILE  50           HA       ILE  50   2.281  -1.066  -4.220
  432    HB   ILE  50           HB       ILE  50  -0.162   0.796  -4.285
  433   HG12  ILE  50          1HG1      ILE  50   0.544  -1.312  -2.184
  434   HG13  ILE  50          2HG1      ILE  50   0.569   0.423  -1.926
  435   HG21  ILE  50          1HG2      ILE  50   0.132  -2.228  -4.582
  436   HG22  ILE  50          2HG2      ILE  50  -0.274  -1.102  -5.873
  437   HG23  ILE  50          3HG2      ILE  50  -1.405  -1.373  -4.568
  438   HD11  ILE  50          3HD1      ILE  50  -1.466  -0.499  -1.026
  439   HD12  ILE  50          1HD1      ILE  50  -1.888  -1.175  -2.597
  440   HD13  ILE  50          2HD1      ILE  50  -1.818   0.578  -2.378
  441    H    ASP  51           H        ASP  51   1.897  -1.529  -6.394
  442    HA   ASP  51           HA       ASP  51   2.616   0.631  -8.318
  443    HB2  ASP  51           1HB      ASP  51   2.707  -2.401  -8.515
  444    HB3  ASP  51           2HB      ASP  51   3.178  -1.296  -9.802
  445    H    ALA  52           H        ALA  52   0.823   1.587  -9.077
  446    HA   ALA  52           HA       ALA  52  -1.640   0.048  -9.634
  447    HB1  ALA  52           3HB      ALA  52  -0.948   2.999  -9.696
  448    HB2  ALA  52           1HB      ALA  52  -1.998   2.156  -8.560
  449    HB3  ALA  52           2HB      ALA  52  -2.516   2.363 -10.229
  450    H    THR  53           H        THR  53   1.177   0.484 -11.231
  451    HA   THR  53           HA       THR  53   0.223   1.123 -13.890
  452    HB   THR  53           HB       THR  53   2.560   1.521 -13.691
  453    HG1  THR  53           HG1      THR  53   2.678   0.499 -15.508
  454   HG21  THR  53          3HG2      THR  53   2.753  -1.168 -12.273
  455   HG22  THR  53          1HG2      THR  53   3.021   0.429 -11.567
  456   HG23  THR  53          2HG2      THR  53   4.145  -0.207 -12.763
  457    H    GLY  54           H        GLY  54   0.280  -0.403 -15.670
  458    HA2  GLY  54           1HA      GLY  54  -0.399  -2.355 -16.720
  459    HA3  GLY  54           2HA      GLY  54   0.213  -3.240 -15.329
  460    H    LYS  55           H        LYS  55  -1.526  -1.899 -13.400
  461    HA   LYS  55           HA       LYS  55  -3.769  -3.633 -13.472
  462    HB2  LYS  55           1HB      LYS  55  -2.992  -1.249 -11.769
  463    HB3  LYS  55           2HB      LYS  55  -4.641  -1.838 -11.639
  464    HG2  LYS  55           1HG      LYS  55  -3.323  -2.903  -9.896
  465    HG3  LYS  55           2HG      LYS  55  -3.716  -4.131 -11.096
  466    HD2  LYS  55           1HD      LYS  55  -1.453  -3.849 -12.108
  467    HD3  LYS  55           2HD      LYS  55  -1.075  -2.626 -10.897
  468    HE2  LYS  55           1HE      LYS  55  -1.356  -4.303  -9.099
  469    HE3  LYS  55           2HE      LYS  55  -1.784  -5.528 -10.294
  470    HZ1  LYS  55           3HZ      LYS  55   0.761  -4.767  -9.438
  471    HZ2  LYS  55           1HZ      LYS  55   0.622  -4.328 -11.071
  472    HZ3  LYS  55           2HZ      LYS  55   0.346  -5.937 -10.598
  473    H    ALA  56           H        ALA  56  -5.855  -3.353 -14.035
  474    HA   ALA  56           HA       ALA  56  -6.549  -1.051 -15.809
  475    HB1  ALA  56           3HB      ALA  56  -8.278  -2.577 -16.693
  476    HB2  ALA  56           1HB      ALA  56  -7.802  -3.817 -15.527
  477    HB3  ALA  56           2HB      ALA  56  -6.683  -3.322 -16.797
  478    H    VAL  57           H        VAL  57  -8.888  -0.484 -15.754
  479    HA   VAL  57           HA       VAL  57  -9.624   0.552 -13.259
  480    HB   VAL  57           HB       VAL  57 -11.482   0.027 -15.634
  481   HG11  VAL  57          1HG1      VAL  57 -12.659   2.047 -14.802
  482   HG12  VAL  57          2HG1      VAL  57 -11.488   2.183 -13.492
  483   HG13  VAL  57          3HG1      VAL  57 -12.594   0.814 -13.541
  484   HG21  VAL  57          3HG2      VAL  57 -10.788   2.276 -16.453
  485   HG22  VAL  57          1HG2      VAL  57  -9.423   1.168 -16.428
  486   HG23  VAL  57          2HG2      VAL  57  -9.605   2.368 -15.160
  487    H    GLY  58           H        GLY  58 -11.063  -0.137 -11.720
  488    HA2  GLY  58           1HA      GLY  58 -13.023  -1.569 -11.141
  489    HA3  GLY  58           2HA      GLY  58 -12.177  -2.917 -11.886
  490    H    GLU  59           H        GLU  59 -12.871  -3.482  -9.480
  491    HA   GLU  59           HA       GLU  59 -10.701  -2.778  -7.589
  492    HB2  GLU  59           1HB      GLU  59 -12.235  -3.756  -5.862
  493    HB3  GLU  59           2HB      GLU  59 -12.931  -2.382  -6.715
  494    HG2  GLU  59           1HG      GLU  59 -14.183  -3.944  -8.202
  495    HG3  GLU  59           2HG      GLU  59 -13.520  -5.308  -7.311
  496    H    HIS  60           H        HIS  60  -9.179  -4.133  -7.044
  497    HA   HIS  60           HA       HIS  60  -9.536  -7.040  -7.204
  498    HB2  HIS  60           1HB      HIS  60  -6.959  -6.647  -8.409
  499    HB3  HIS  60           2HB      HIS  60  -8.403  -7.233  -9.222
  500    HD1  HIS  60           HD1      HIS  60  -9.524  -5.704 -10.885
  501    HD2  HIS  60           HD2      HIS  60  -6.567  -3.753  -8.689
  502    HE1  HIS  60           HE1      HIS  60  -9.271  -3.407 -11.913
  503    HE2  HIS  60           HE2      HIS  60  -7.464  -2.205 -10.591
  504    H    THR  61           H        THR  61  -7.977  -8.204  -6.073
  505    HA   THR  61           HA       THR  61  -6.885  -6.801  -3.746
  506    HB   THR  61           HB       THR  61  -6.846  -9.778  -4.417
  507    HG1  THR  61           HG1      THR  61  -8.537  -8.921  -2.483
  508   HG21  THR  61          3HG2      THR  61  -6.455  -8.262  -1.821
  509   HG22  THR  61          1HG2      THR  61  -5.201  -9.159  -2.676
  510   HG23  THR  61          2HG2      THR  61  -6.564 -10.010  -1.950
  511    H    VAL  62           H        VAL  62  -4.696  -6.536  -3.340
  512    HA   VAL  62           HA       VAL  62  -2.698  -7.708  -5.222
  513    HB   VAL  62           HB       VAL  62  -1.600  -5.504  -5.537
  514   HG11  VAL  62          1HG1      VAL  62  -3.266  -6.327  -7.216
  515   HG12  VAL  62          2HG1      VAL  62  -3.196  -4.567  -7.145
  516   HG13  VAL  62          3HG1      VAL  62  -4.531  -5.422  -6.383
  517   HG21  VAL  62          3HG2      VAL  62  -2.873  -3.413  -4.929
  518   HG22  VAL  62          1HG2      VAL  62  -2.367  -4.329  -3.513
  519   HG23  VAL  62          2HG2      VAL  62  -4.039  -4.410  -4.060
  520    H    LYS  63           H        LYS  63  -0.600  -7.778  -4.470
  521    HA   LYS  63           HA       LYS  63  -0.348  -7.749  -1.513
  522    HB2  LYS  63           1HB      LYS  63   1.600  -9.203  -1.868
  523    HB3  LYS  63           2HB      LYS  63   0.159  -9.865  -2.640
  524    HG2  LYS  63           1HG      LYS  63   0.941  -8.947  -4.832
  525    HG3  LYS  63           2HG      LYS  63   2.413  -8.365  -4.050
  526    HD2  LYS  63           1HD      LYS  63   2.994 -10.692  -3.395
  527    HD3  LYS  63           2HD      LYS  63   1.522 -11.282  -4.172
  528    HE2  LYS  63           1HE      LYS  63   3.470 -11.583  -5.661
  529    HE3  LYS  63           2HE      LYS  63   2.340 -10.417  -6.355
  530    HZ1  LYS  63           3HZ      LYS  63   3.698  -8.637  -5.740
  531    HZ2  LYS  63           1HZ      LYS  63   4.782  -9.799  -6.335
  532    HZ3  LYS  63           2HZ      LYS  63   4.611  -9.578  -4.660
  533    H    ILE  64           H        ILE  64   1.249  -6.697  -0.472
  534    HA   ILE  64           HA       ILE  64   2.434  -4.353  -1.843
  535    HB   ILE  64           HB       ILE  64   2.654  -4.986   1.149
  536   HG12  ILE  64          1HG1      ILE  64   0.556  -3.455   1.350
  537   HG13  ILE  64          2HG1      ILE  64   0.281  -3.756  -0.359
  538   HG21  ILE  64          1HG2      ILE  64   2.576  -2.377  -0.409
  539   HG22  ILE  64          2HG2      ILE  64   4.035  -3.131   0.224
  540   HG23  ILE  64          3HG2      ILE  64   2.795  -2.533   1.320
  541   HD11  ILE  64          3HD1      ILE  64  -0.671  -5.773   0.092
  542   HD12  ILE  64          1HD1      ILE  64  -0.676  -5.258   1.768
  543   HD13  ILE  64          2HD1      ILE  64   0.623  -6.274   1.188
  544    H    TYR  65           H        TYR  65   4.593  -4.273  -2.364
  545    HA   TYR  65           HA       TYR  65   6.245  -6.571  -2.281
  546    HB2  TYR  65           1HB      TYR  65   7.034  -3.647  -2.569
  547    HB3  TYR  65           2HB      TYR  65   8.130  -4.995  -2.869
  548    HD1  TYR  65           HD2      TYR  65   5.091  -3.221  -4.105
  549    HD2  TYR  65           HD1      TYR  65   7.868  -6.433  -4.872
  550    HE1  TYR  65           HE2      TYR  65   4.222  -3.444  -6.414
  551    HE2  TYR  65           HE1      TYR  65   6.985  -6.637  -7.177
  552    HH   TYR  65           HH       TYR  65   4.985  -6.102  -8.431
  553    H    TRP  66           H        TRP  66   6.360  -3.648  -0.254
  554    HA   TRP  66           HA       TRP  66   7.221  -3.221   1.796
  555    HB2  TRP  66           1HB      TRP  66   5.725  -5.503   2.086
  556    HB3  TRP  66           2HB      TRP  66   7.270  -6.144   2.614
  557    HD1  TRP  66           HD1      TRP  66   8.444  -3.796   4.253
  558    HE1  TRP  66           HE1      TRP  66   7.331  -2.986   6.425
  559    HE3  TRP  66           HE3      TRP  66   3.719  -5.575   3.522
  560    HZ2  TRP  66           HZ2      TRP  66   4.767  -3.062   7.681
  561    HZ3  TRP  66           HZ3      TRP  66   1.958  -5.177   5.215
  562    HH2  TRP  66           HH2      TRP  66   2.475  -3.920   7.279
  563    H    GLN  67           H        GLN  67   9.262  -2.784   2.466
  564    HA   GLN  67           HA       GLN  67  11.459  -4.737   1.984
  565    HB2  GLN  67           1HB      GLN  67  11.712  -1.794   1.231
  566    HB3  GLN  67           2HB      GLN  67  12.915  -3.049   1.012
  567    HG2  GLN  67           1HG      GLN  67  10.208  -2.947  -0.382
  568    HG3  GLN  67           2HG      GLN  67  11.747  -2.529  -1.117
  569   HE21  GLN  67          2HE2      GLN  67  13.300  -4.707   0.066
  570   HE22  GLN  67          1HE2      GLN  67  12.764  -6.144  -0.662
  571    H    LEU  68           H        LEU  68  12.685  -4.970   3.677
  572    HA   LEU  68           HA       LEU  68  12.871  -2.817   5.733
  573    HB2  LEU  68           1HB      LEU  68  12.677  -5.770   6.412
  574    HB3  LEU  68           2HB      LEU  68  12.645  -4.401   7.510
  575    HG   LEU  68           HG       LEU  68  10.471  -3.756   5.843
  576   HD11  LEU  68          1HD1      LEU  68  10.472  -6.785   6.122
  577   HD12  LEU  68          2HD1      LEU  68  10.635  -5.885   4.615
  578   HD13  LEU  68          3HD1      LEU  68   9.134  -5.813   5.524
  579   HD21  LEU  68          3HD2      LEU  68  10.313  -5.464   8.332
  580   HD22  LEU  68          1HD2      LEU  68   8.994  -4.523   7.647
  581   HD23  LEU  68          2HD2      LEU  68  10.413  -3.712   8.302
  582    HA   PRO  69           HA       PRO  69  17.214  -4.077   4.974
  583    HB2  PRO  69           1HB      PRO  69  18.528  -1.951   5.948
  584    HB3  PRO  69           2HB      PRO  69  17.412  -1.724   4.579
  585    HG2  PRO  69           1HG      PRO  69  16.854  -1.271   7.519
  586    HG3  PRO  69           2HG      PRO  69  16.616  -0.137   6.166
  587    HD2  PRO  69           1HD      PRO  69  14.567  -1.737   7.113
  588    HD3  PRO  69           2HD      PRO  69  14.670  -1.242   5.407
  589    H    ALA  70           H        ALA  70  15.998  -5.508   6.967
  590    HA   ALA  70           HA       ALA  70  18.164  -5.839   8.939
  591    HB1  ALA  70           3HB      ALA  70  15.286  -5.346   9.760
  592    HB2  ALA  70           1HB      ALA  70  16.604  -4.196   9.950
  593    HB3  ALA  70           2HB      ALA  70  16.625  -5.710  10.848
  594    H    GLY  71           H        GLY  71  16.591  -7.529  10.625
  595    HA2  GLY  71           1HA      GLY  71  16.306  -9.974   8.913
  596    HA3  GLY  71           2HA      GLY  71  16.835  -9.947  10.589
  597    H    ILE  72           H        ILE  72  14.107  -8.397   8.933
  598    HA   ILE  72           HA       ILE  72  12.249  -9.419  11.021
  599    HB   ILE  72           HB       ILE  72  11.903  -7.212   8.956
  600   HG12  ILE  72          1HG1      ILE  72  12.270  -7.017  11.986
  601   HG13  ILE  72          2HG1      ILE  72  13.566  -6.751  10.835
  602   HG21  ILE  72          1HG2      ILE  72  10.114  -8.187  11.232
  603   HG22  ILE  72          2HG2      ILE  72   9.703  -8.192   9.516
  604   HG23  ILE  72          3HG2      ILE  72   9.838  -6.676  10.380
  605   HD11  ILE  72          3HD1      ILE  72  10.995  -5.130  10.846
  606   HD12  ILE  72          1HD1      ILE  72  12.459  -4.830   9.912
  607   HD13  ILE  72          2HD1      ILE  72  12.476  -4.668  11.652
  608    H    GLU  73           H        GLU  73  10.524 -10.645  10.545
  609    HA   GLU  73           HA       GLU  73  10.213 -11.715   7.756
  610    HB2  GLU  73           1HB      GLU  73   9.587 -13.037  10.428
  611    HB3  GLU  73           2HB      GLU  73   9.353 -13.771   8.840
  612    HG2  GLU  73           1HG      GLU  73  12.040 -12.860   9.959
  613    HG3  GLU  73           2HG      GLU  73  11.475 -14.527   9.931
  614    H    MET  74           H        MET  74   8.195 -11.846   6.881
  615    HA   MET  74           HA       MET  74   6.138 -10.093   8.041
  616    HB2  MET  74           1HB      MET  74   6.722 -10.109   5.564
  617    HB3  MET  74           2HB      MET  74   5.972 -11.694   5.450
  618    HG2  MET  74           1HG      MET  74   3.821 -10.735   6.242
  619    HG3  MET  74           2HG      MET  74   4.579  -9.153   6.379
  620    HE1  MET  74           3HE      MET  74   2.511 -11.401   4.146
  621    HE2  MET  74           1HE      MET  74   4.096 -12.151   3.907
  622    HE3  MET  74           2HE      MET  74   3.287 -11.349   2.565
  623    H    VAL  75           H        VAL  75   4.874 -10.973   9.561
  624    HA   VAL  75           HA       VAL  75   4.420 -13.751   9.978
  625    HB   VAL  75           HB       VAL  75   2.662 -11.416  10.809
  626   HG11  VAL  75          1HG1      VAL  75   2.758 -14.273  11.852
  627   HG12  VAL  75          2HG1      VAL  75   1.385 -13.505  11.058
  628   HG13  VAL  75          3HG1      VAL  75   1.892 -12.960  12.650
  629   HG21  VAL  75          3HG2      VAL  75   3.924 -11.483  12.901
  630   HG22  VAL  75          1HG2      VAL  75   5.068 -11.329  11.580
  631   HG23  VAL  75          2HG2      VAL  75   4.835 -12.883  12.348
  632    H    SER  76           H        SER  76   1.855 -11.460   9.027
  633    HA   SER  76           HA       SER  76   1.017 -12.899   6.696
  634    HB2  SER  76           1HB      SER  76   0.330 -14.530   8.442
  635    HB3  SER  76           2HB      SER  76  -0.554 -13.248   9.285
  636    HG   SER  76           HG       SER  76  -1.348 -13.183   6.780
  637    H    ILE  77           H        ILE  77  -0.784 -11.858   5.703
  638    HA   ILE  77           HA       ILE  77  -2.141 -10.080   5.173
  639    HB   ILE  77           HB       ILE  77  -3.906  -9.855   6.725
  640   HG12  ILE  77          1HG1      ILE  77  -1.975  -9.380   9.049
  641   HG13  ILE  77          2HG1      ILE  77  -2.753  -8.113   8.133
  642   HG21  ILE  77          1HG2      ILE  77  -2.484 -11.835   8.509
  643   HG22  ILE  77          2HG2      ILE  77  -3.095 -12.264   6.913
  644   HG23  ILE  77          3HG2      ILE  77  -4.198 -11.689   8.154
  645   HD11  ILE  77          3HD1      ILE  77  -3.986  -8.451  10.170
  646   HD12  ILE  77          1HD1      ILE  77  -4.097 -10.186   9.888
  647   HD13  ILE  77          2HD1      ILE  77  -4.967  -9.063   8.840
  648    HA   PRO  78           HA       PRO  78  -3.579  -8.075   5.660
  649    HB2  PRO  78           1HB      PRO  78  -4.016  -5.454   5.387
  650    HB3  PRO  78           2HB      PRO  78  -3.831  -6.177   7.004
  651    HG2  PRO  78           1HG      PRO  78  -1.978  -4.365   5.574
  652    HG3  PRO  78           2HG      PRO  78  -1.989  -4.828   7.286
  653    HD2  PRO  78           1HD      PRO  78  -0.368  -5.989   5.078
  654    HD3  PRO  78           2HD      PRO  78  -0.152  -6.186   6.833
  655    H    ASP  79           H        ASP  79  -4.797  -7.868   3.822
  656    HA   ASP  79           HA       ASP  79  -3.326  -7.472   1.297
  657    HB2  ASP  79           1HB      ASP  79  -5.742  -8.202   0.419
  658    HB3  ASP  79           2HB      ASP  79  -4.651  -9.407   1.045
  659    H    VAL  80           H        VAL  80  -4.213  -6.119  -0.334
  660    HA   VAL  80           HA       VAL  80  -5.726  -3.764   0.743
  661    HB   VAL  80           HB       VAL  80  -3.666  -3.714  -1.502
  662   HG11  VAL  80          1HG1      VAL  80  -3.819  -1.243  -1.133
  663   HG12  VAL  80          2HG1      VAL  80  -5.066  -1.499   0.067
  664   HG13  VAL  80          3HG1      VAL  80  -5.365  -1.908  -1.613
  665   HG21  VAL  80          3HG2      VAL  80  -3.385  -2.900   1.424
  666   HG22  VAL  80          1HG2      VAL  80  -2.174  -2.630   0.168
  667   HG23  VAL  80          2HG2      VAL  80  -2.585  -4.268   0.655
  668    H    THR  81           H        THR  81  -7.541  -3.293  -0.174
  669    HA   THR  81           HA       THR  81  -8.164  -4.129  -2.972
  670    HB   THR  81           HB       THR  81 -10.103  -4.563  -0.646
  671    HG1  THR  81           HG1      THR  81  -9.031  -6.299  -0.282
  672   HG21  THR  81          3HG2      THR  81 -11.103  -4.280  -2.929
  673   HG22  THR  81          1HG2      THR  81 -11.327  -5.916  -2.309
  674   HG23  THR  81          2HG2      THR  81 -10.083  -5.596  -3.520
  675    H    TYR  82           H        TYR  82  -8.889  -2.445  -4.051
  676    HA   TYR  82           HA       TYR  82 -10.576  -0.378  -2.765
  677    HB2  TYR  82           1HB      TYR  82  -9.200   1.449  -3.647
  678    HB3  TYR  82           2HB      TYR  82  -8.259   0.452  -2.545
  679    HD1  TYR  82           HD2      TYR  82  -6.757  -1.414  -3.547
  680    HD2  TYR  82           HD1      TYR  82  -8.396   1.766  -5.941
  681    HE1  TYR  82           HE2      TYR  82  -5.046  -1.832  -5.288
  682    HE2  TYR  82           HE1      TYR  82  -6.678   1.337  -7.671
  683    HH   TYR  82           HH       TYR  82  -5.123  -0.145  -8.384
  684    H    THR  83           H        THR  83 -10.972   1.343  -4.645
  685    HA   THR  83           HA       THR  83 -11.841  -0.196  -7.077
  686    HB   THR  83           HB       THR  83 -13.406   2.049  -5.725
  687    HG1  THR  83           HG1      THR  83 -14.439   0.539  -4.632
  688   HG21  THR  83          3HG2      THR  83 -15.248   1.246  -7.149
  689   HG22  THR  83          1HG2      THR  83 -14.232  -0.055  -7.768
  690   HG23  THR  83          2HG2      THR  83 -13.862   1.616  -8.172
  691    H    LEU  84           H        LEU  84 -10.922   0.540  -8.840
  692    HA   LEU  84           HA       LEU  84  -9.904   3.317  -8.982
  693    HB2  LEU  84           1HB      LEU  84  -8.365   1.396  -9.493
  694    HB3  LEU  84           2HB      LEU  84  -9.373   0.970 -10.847
  695    HG   LEU  84           HG       LEU  84  -8.901   3.159 -11.905
  696   HD11  LEU  84          1HD1      LEU  84  -7.424   3.740  -9.317
  697   HD12  LEU  84          2HD1      LEU  84  -8.492   4.781 -10.262
  698   HD13  LEU  84          3HD1      LEU  84  -6.857   4.488 -10.813
  699   HD21  LEU  84          3HD2      LEU  84  -6.389   2.793 -12.292
  700   HD22  LEU  84          1HD2      LEU  84  -7.409   1.375 -12.548
  701   HD23  LEU  84          2HD2      LEU  84  -6.462   1.533 -11.067
  702    H    LYS  85           H        LYS  85 -10.795   4.794 -10.302
  703    HA   LYS  85           HA       LYS  85 -12.702   4.012 -12.424
  704    HB2  LYS  85           1HB      LYS  85 -13.195   6.008 -10.198
  705    HB3  LYS  85           2HB      LYS  85 -14.207   5.897 -11.633
  706    HG2  LYS  85           1HG      LYS  85 -13.773   3.536  -9.739
  707    HG3  LYS  85           2HG      LYS  85 -15.089   4.668  -9.560
  708    HD2  LYS  85           1HD      LYS  85 -15.919   4.081 -11.831
  709    HD3  LYS  85           2HD      LYS  85 -14.615   2.924 -12.015
  710    HE2  LYS  85           1HE      LYS  85 -15.443   1.650 -10.068
  711    HE3  LYS  85           2HE      LYS  85 -16.780   2.792  -9.904
  712    HZ1  LYS  85           3HZ      LYS  85 -17.292   2.226 -12.303
  713    HZ2  LYS  85           1HZ      LYS  85 -17.618   1.014 -11.161
  714    HZ3  LYS  85           2HZ      LYS  85 -16.224   0.918 -12.128
  715    H    ALA  86           H        ALA  86 -13.226   5.768 -13.848
  716    HA   ALA  86           HA       ALA  86 -10.864   7.000 -14.857
  717    HB1  ALA  86           3HB      ALA  86 -12.387   7.912 -16.575
  718    HB2  ALA  86           1HB      ALA  86 -13.779   7.409 -15.612
  719    HB3  ALA  86           2HB      ALA  86 -12.700   6.199 -16.301
  720    H    LYS  87           H        LYS  87 -10.337   9.169 -15.001
  721    HA   LYS  87           HA       LYS  87 -10.843  10.821 -12.776
  722    HB2  LYS  87           1HB      LYS  87  -9.451  12.428 -13.919
  723    HB3  LYS  87           2HB      LYS  87  -8.822  10.823 -14.265
  724    HG2  LYS  87           1HG      LYS  87  -8.864  11.492 -16.500
  725    HG3  LYS  87           2HG      LYS  87 -10.568  11.093 -16.411
  726    HD2  LYS  87           1HD      LYS  87 -10.661  13.293 -17.285
  727    HD3  LYS  87           2HD      LYS  87 -10.847  13.618 -15.560
  728    HE2  LYS  87           1HE      LYS  87  -9.197  15.159 -16.572
  729    HE3  LYS  87           2HE      LYS  87  -8.403  14.095 -15.413
  730    HZ1  LYS  87           3HZ      LYS  87  -7.755  14.452 -18.074
  731    HZ2  LYS  87           1HZ      LYS  87  -8.448  12.906 -17.986
  732    HZ3  LYS  87           2HZ      LYS  87  -7.115  13.295 -17.007
  733    H    GLU  88           H        GLU  88 -11.776  13.023 -12.866
  734    HA   GLU  88           HA       GLU  88 -13.786  13.607 -14.897
  735    HB2  GLU  88           1HB      GLU  88 -14.801  11.893 -13.195
  736    HB3  GLU  88           2HB      GLU  88 -14.802  13.216 -12.037
  737    HG2  GLU  88           1HG      GLU  88 -16.238  14.550 -13.593
  738    HG3  GLU  88           2HG      GLU  88 -16.228  13.217 -14.734
  739    H    ASP  89           H        ASP  89 -11.361  14.658 -13.280
  740    HA   ASP  89           HA       ASP  89 -11.999  16.819 -11.719
  741    HB2  ASP  89           1HB      ASP  89  -9.714  16.550 -13.686
  742    HB3  ASP  89           2HB      ASP  89  -9.771  17.707 -12.355
  743    HA   PRO  90           HA       PRO  90 -13.747  19.376 -15.132
  744    HB2  PRO  90           1HB      PRO  90 -15.291  21.067 -13.761
  745    HB3  PRO  90           2HB      PRO  90 -15.671  19.324 -13.703
  746    HG2  PRO  90           1HG      PRO  90 -14.091  20.951 -11.700
  747    HG3  PRO  90           2HG      PRO  90 -15.478  19.877 -11.396
  748    HD2  PRO  90           1HD      PRO  90 -12.854  19.015 -11.136
  749    HD3  PRO  90           2HD      PRO  90 -14.164  17.927 -11.606
  750    H    LEU  91           H        LEU  91 -11.885  20.443 -12.400
  751    HA   LEU  91           HA       LEU  91 -11.422  23.150 -13.135
  752    HB2  LEU  91           1HB      LEU  91  -9.573  21.316 -11.556
  753    HB3  LEU  91           2HB      LEU  91  -9.622  23.079 -11.491
  754    HG   LEU  91           HG       LEU  91 -11.870  21.212 -10.617
  755   HD11  LEU  91          1HD1      LEU  91  -9.923  21.157  -9.095
  756   HD12  LEU  91          2HD1      LEU  91 -11.298  21.950  -8.328
  757   HD13  LEU  91          3HD1      LEU  91  -9.969  22.916  -8.967
  758   HD21  LEU  91          3HD2      LEU  91 -12.953  23.229 -11.304
  759   HD22  LEU  91          1HD2      LEU  91 -11.665  24.255 -10.671
  760   HD23  LEU  91          2HD2      LEU  91 -12.772  23.428  -9.573
  761    H    GLU  92           H        GLU  92  -9.695  20.163 -13.923
  762    HA   GLU  92           HA       GLU  92  -7.429  21.322 -15.152
  763    HB2  GLU  92           1HB      GLU  92  -7.632  18.917 -14.520
  764    HB3  GLU  92           2HB      GLU  92  -8.757  18.671 -15.849
  765    HG2  GLU  92           1HG      GLU  92  -6.997  19.325 -17.473
  766    HG3  GLU  92           2HG      GLU  92  -5.881  19.634 -16.149
  767    H    HIS  93           H        HIS  93  -9.886  19.607 -17.067
  768    HA   HIS  93           HA       HIS  93 -10.330  21.914 -18.830
  769    HB2  HIS  93           1HB      HIS  93  -8.930  19.386 -19.815
  770    HB3  HIS  93           2HB      HIS  93  -9.621  20.611 -20.882
  771    HD1  HIS  93           HD1      HIS  93  -8.732  23.203 -19.790
  772    HD2  HIS  93           HD2      HIS  93  -6.204  19.887 -19.758
  773    HE1  HIS  93           HE1      HIS  93  -6.372  24.105 -19.625
  774    HE2  HIS  93           HE2      HIS  93  -4.819  22.096 -19.599
  775    H    HIS  94           H        HIS  94 -12.232  21.831 -19.806
  776    HA   HIS  94           HA       HIS  94 -14.170  19.836 -19.003
  777    HB2  HIS  94           1HB      HIS  94 -14.754  22.240 -19.265
  778    HB3  HIS  94           2HB      HIS  94 -14.456  22.126 -20.997
  779    HD1  HIS  94           HD1      HIS  94 -16.357  19.760 -18.674
  780    HD2  HIS  94           HD2      HIS  94 -17.000  22.033 -22.110
  781    HE1  HIS  94           HE1      HIS  94 -18.701  19.216 -19.463
  782    HE2  HIS  94           HE2      HIS  94 -19.109  20.594 -21.557
  783    H    HIS  95           H        HIS  95 -13.347  17.907 -19.916
  784    HA   HIS  95           HA       HIS  95 -12.961  17.571 -22.769
  785    HB2  HIS  95           1HB      HIS  95 -12.692  15.165 -22.142
  786    HB3  HIS  95           2HB      HIS  95 -11.675  16.229 -21.172
  787    HD1  HIS  95           HD1      HIS  95 -12.337  16.596 -18.680
  788    HD2  HIS  95           HD2      HIS  95 -14.779  13.881 -20.691
  789    HE1  HIS  95           HE1      HIS  95 -13.702  15.410 -16.906
  790    HE2  HIS  95           HE2      HIS  95 -15.195  13.750 -18.118
  791    H    HIS  96           H        HIS  96 -14.168  15.856 -23.947
  792    HA   HIS  96           HA       HIS  96 -16.105  15.189 -24.971
  793    HB2  HIS  96           1HB      HIS  96 -16.135  13.710 -22.970
  794    HB3  HIS  96           2HB      HIS  96 -17.072  14.915 -22.094
  795    HD1  HIS  96           HD1      HIS  96 -17.326  12.669 -25.155
  796    HD2  HIS  96           HD2      HIS  96 -19.824  14.829 -22.611
  797    HE1  HIS  96           HE1      HIS  96 -19.698  12.083 -25.816
  798    HE2  HIS  96           HE2      HIS  96 -21.234  13.394 -24.274
  799    H    HIS  97           H        HIS  97 -16.721  17.081 -26.004
  800    HA   HIS  97           HA       HIS  97 -19.230  18.249 -25.225
  801    HB2  HIS  97           1HB      HIS  97 -17.703  19.528 -23.719
  802    HB3  HIS  97           2HB      HIS  97 -16.779  20.064 -25.116
  803    HD1  HIS  97           HD1      HIS  97 -20.243  20.370 -23.590
  804    HD2  HIS  97           HD2      HIS  97 -17.899  22.252 -26.478
  805    HE1  HIS  97           HE1      HIS  97 -21.512  22.442 -24.302
  806    HE2  HIS  97           HE2      HIS  97 -20.096  23.600 -26.064
  807    H    HIS  98           H        HIS  98 -16.304  19.102 -27.081
  808    HA   HIS  98           HA       HIS  98 -17.672  20.224 -29.297
  809    HB2  HIS  98           1HB      HIS  98 -15.271  20.631 -28.761
  810    HB3  HIS  98           2HB      HIS  98 -14.894  18.970 -29.203
  811    HD1  HIS  98           HD1      HIS  98 -16.263  22.169 -30.738
  812    HD2  HIS  98           HD2      HIS  98 -14.533  18.577 -31.950
  813    HE1  HIS  98           HE1      HIS  98 -15.860  22.373 -33.228
  814    HE2  HIS  98           HE2      HIS  98 -14.805  20.189 -33.984
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1   0.504   5.709  21.955
    2    H2   MET   1           2H       MET   1  -0.964   4.852  21.969
    3    H3   MET   1           3H       MET   1  -0.035   4.976  23.386
    4    HA   MET   1           HA       MET   1  -1.584   6.577  23.824
    5    HB2  MET   1           1HB      MET   1   0.514   7.976  22.108
    6    HB3  MET   1           2HB      MET   1  -0.574   8.803  23.224
    7    HG2  MET   1           1HG      MET   1   0.373   7.496  25.111
    8    HG3  MET   1           2HG      MET   1   1.475   6.690  23.992
    9    HE1  MET   1           3HE      MET   1   3.735   7.402  25.046
   10    HE2  MET   1           1HE      MET   1   2.636   7.834  26.364
   11    HE3  MET   1           2HE      MET   1   3.915   8.942  25.881
   12    H    LYS   2           H        LYS   2  -3.482   5.961  22.699
   13    HA   LYS   2           HA       LYS   2  -5.209   6.152  21.203
   14    HB2  LYS   2           1HB      LYS   2  -3.947   8.875  20.663
   15    HB3  LYS   2           2HB      LYS   2  -5.596   8.395  20.276
   16    HG2  LYS   2           1HG      LYS   2  -6.118   8.087  22.657
   17    HG3  LYS   2           2HG      LYS   2  -4.448   8.439  23.097
   18    HD2  LYS   2           1HD      LYS   2  -5.816  10.436  23.471
   19    HD3  LYS   2           2HD      LYS   2  -4.691  10.739  22.151
   20    HE2  LYS   2           1HE      LYS   2  -6.453  10.595  20.503
   21    HE3  LYS   2           2HE      LYS   2  -7.560   9.821  21.642
   22    HZ1  LYS   2           3HZ      LYS   2  -8.236  11.787  22.321
   23    HZ2  LYS   2           1HZ      LYS   2  -7.299  12.506  21.103
   24    HZ3  LYS   2           2HZ      LYS   2  -6.648  12.292  22.659
   25    H    THR   3           H        THR   3  -5.387   7.423  18.710
   26    HA   THR   3           HA       THR   3  -4.330   5.504  16.953
   27    HB   THR   3           HB       THR   3  -6.277   6.812  16.314
   28    HG1  THR   3           HG1      THR   3  -4.113   7.681  14.707
   29   HG21  THR   3          3HG2      THR   3  -4.468   9.258  16.367
   30   HG22  THR   3          1HG2      THR   3  -5.718   8.903  17.554
   31   HG23  THR   3          2HG2      THR   3  -6.156   9.233  15.883
   32    H    LEU   4           H        LEU   4  -2.514   5.455  15.681
   33    HA   LEU   4           HA       LEU   4  -0.400   7.529  16.160
   34    HB2  LEU   4           1HB      LEU   4  -0.033   4.592  15.432
   35    HB3  LEU   4           2HB      LEU   4   1.223   5.745  15.892
   36    HG   LEU   4           HG       LEU   4  -1.034   4.763  17.700
   37   HD11  LEU   4          1HD1      LEU   4   0.766   3.600  18.934
   38   HD12  LEU   4          2HD1      LEU   4   1.944   4.167  17.751
   39   HD13  LEU   4          3HD1      LEU   4   0.679   3.038  17.263
   40   HD21  LEU   4          3HD2      LEU   4  -0.500   6.980  18.460
   41   HD22  LEU   4          1HD2      LEU   4   1.226   6.757  18.180
   42   HD23  LEU   4          2HD2      LEU   4   0.423   5.925  19.514
   43    H    TYR   5           H        TYR   5   0.679   8.361  14.491
   44    HA   TYR   5           HA       TYR   5  -0.523   8.311  11.876
   45    HB2  TYR   5           1HB      TYR   5   2.148   9.477  12.785
   46    HB3  TYR   5           2HB      TYR   5   1.344   9.818  11.253
   47    HD1  TYR   5           HD2      TYR   5   1.227  10.363  14.928
   48    HD2  TYR   5           HD1      TYR   5  -0.705  11.233  11.168
   49    HE1  TYR   5           HE2      TYR   5  -0.102  12.152  16.013
   50    HE2  TYR   5           HE1      TYR   5  -2.027  13.019  12.275
   51    HH   TYR   5           HH       TYR   5  -1.368  14.499  14.801
   52    H    ASP   6           H        ASP   6  -0.398   6.102  11.248
   53    HA   ASP   6           HA       ASP   6   2.135   4.711  11.057
   54    HB2  ASP   6           1HB      ASP   6   0.805   2.952   9.940
   55    HB3  ASP   6           2HB      ASP   6   0.052   3.468  11.446
   56    H    LEU   7           H        LEU   7   1.337   7.336   9.519
   57    HA   LEU   7           HA       LEU   7   1.868   8.314   7.549
   58    HB2  LEU   7           1HB      LEU   7   3.689   5.935   7.098
   59    HB3  LEU   7           2HB      LEU   7   3.850   7.544   6.401
   60    HG   LEU   7           HG       LEU   7   4.086   6.857   9.370
   61   HD11  LEU   7          1HD1      LEU   7   6.020   6.122   7.984
   62   HD12  LEU   7          2HD1      LEU   7   6.452   7.411   9.106
   63   HD13  LEU   7          3HD1      LEU   7   6.207   7.777   7.397
   64   HD21  LEU   7          3HD2      LEU   7   3.237   9.099   9.319
   65   HD22  LEU   7          1HD2      LEU   7   4.196   9.532   7.904
   66   HD23  LEU   7          2HD2      LEU   7   4.970   9.312   9.477
   67    HA   PRO   8           HA       PRO   8  -1.355   6.044   5.153
   68    HB2  PRO   8           1HB      PRO   8  -0.869   8.491   3.409
   69    HB3  PRO   8           2HB      PRO   8  -2.417   7.703   3.810
   70    HG2  PRO   8           1HG      PRO   8  -1.721   9.925   5.090
   71    HG3  PRO   8           2HG      PRO   8  -2.422   8.571   6.005
   72    HD2  PRO   8           1HD      PRO   8   0.476   9.439   5.867
   73    HD3  PRO   8           2HD      PRO   8  -0.445   8.798   7.253
   74    H    ILE   9           H        ILE   9  -1.450   5.133   2.974
   75    HA   ILE   9           HA       ILE   9   1.152   4.196   2.096
   76    HB   ILE   9           HB       ILE   9  -1.619   3.664   0.928
   77   HG12  ILE   9          1HG1      ILE   9   0.039   1.923   2.831
   78   HG13  ILE   9          2HG1      ILE   9  -1.273   2.958   3.378
   79   HG21  ILE   9          1HG2      ILE   9   0.167   3.126  -0.707
   80   HG22  ILE   9          2HG2      ILE   9  -0.451   1.621  -0.050
   81   HG23  ILE   9          3HG2      ILE   9   1.079   2.266   0.530
   82   HD11  ILE   9          3HD1      ILE   9  -2.069   0.658   3.077
   83   HD12  ILE   9          1HD1      ILE   9  -1.555   0.682   1.389
   84   HD13  ILE   9          2HD1      ILE   9  -2.858   1.740   1.930
   85    H    VAL  10           H        VAL  10   2.122   4.559   0.130
   86    HA   VAL  10           HA       VAL  10   1.303   7.031  -1.300
   87    HB   VAL  10           HB       VAL  10   3.968   5.539  -1.470
   88   HG11  VAL  10          1HG1      VAL  10   3.490   7.024  -3.408
   89   HG12  VAL  10          2HG1      VAL  10   4.769   7.711  -2.413
   90   HG13  VAL  10          3HG1      VAL  10   3.131   8.355  -2.308
   91   HG21  VAL  10          3HG2      VAL  10   3.591   6.353   0.838
   92   HG22  VAL  10          1HG2      VAL  10   3.180   7.953   0.219
   93   HG23  VAL  10          2HG2      VAL  10   4.822   7.330   0.042
   94    H    LEU  11           H        LEU  11   0.693   7.012  -3.358
   95    HA   LEU  11           HA       LEU  11   0.354   4.388  -4.685
   96    HB2  LEU  11           1HB      LEU  11  -1.467   6.356  -4.400
   97    HB3  LEU  11           2HB      LEU  11  -0.705   6.969  -5.849
   98    HG   LEU  11           HG       LEU  11  -2.585   5.559  -6.532
   99   HD11  LEU  11          1HD1      LEU  11  -1.536   4.088  -8.063
  100   HD12  LEU  11          2HD1      LEU  11  -0.152   3.799  -7.020
  101   HD13  LEU  11          3HD1      LEU  11  -0.351   5.345  -7.809
  102   HD21  LEU  11          3HD2      LEU  11  -2.056   4.037  -4.228
  103   HD22  LEU  11          1HD2      LEU  11  -1.642   2.935  -5.524
  104   HD23  LEU  11          2HD2      LEU  11  -3.243   3.654  -5.457
  105    H    ARG  12           H        ARG  12   2.036   3.770  -5.857
  106    HA   ARG  12           HA       ARG  12   3.641   5.745  -7.398
  107    HB2  ARG  12           1HB      ARG  12   4.759   4.097  -5.822
  108    HB3  ARG  12           2HB      ARG  12   4.262   2.809  -6.914
  109    HG2  ARG  12           1HG      ARG  12   5.516   3.871  -8.765
  110    HG3  ARG  12           2HG      ARG  12   5.995   5.192  -7.706
  111    HD2  ARG  12           1HD      ARG  12   6.703   2.267  -7.273
  112    HD3  ARG  12           2HD      ARG  12   7.794   3.496  -7.920
  113    HE   ARG  12           HE       ARG  12   6.765   4.450  -5.483
  114   HH11  ARG  12          1HH2      ARG  12   8.809   1.913  -6.682
  115   HH12  ARG  12          2HH2      ARG  12   9.759   1.820  -5.236
  116   HH21  ARG  12          1HH1      ARG  12   7.993   4.323  -3.606
  117   HH22  ARG  12          2HH1      ARG  12   9.296   3.187  -3.493
  118    H    ASN  13           H        ASN  13   4.059   5.448  -9.588
  119    HA   ASN  13           HA       ASN  13   3.499   5.050 -11.752
  120    HB2  ASN  13           1HB      ASN  13   2.692   2.298 -10.726
  121    HB3  ASN  13           2HB      ASN  13   3.066   2.730 -12.383
  122   HD21  ASN  13          2HD2      ASN  13   4.419   1.096  -9.922
  123   HD22  ASN  13          1HD2      ASN  13   6.057   1.469 -10.159
  124    H    LEU  14           H        LEU  14   1.606   6.480 -10.380
  125    HA   LEU  14           HA       LEU  14  -0.990   5.332 -10.601
  126    HB2  LEU  14           1HB      LEU  14  -0.191   7.283  -9.066
  127    HB3  LEU  14           2HB      LEU  14  -0.514   8.325 -10.424
  128    HG   LEU  14           HG       LEU  14  -2.644   6.403  -9.299
  129   HD11  LEU  14          1HD1      LEU  14  -2.253   9.321  -8.606
  130   HD12  LEU  14          2HD1      LEU  14  -2.038   7.955  -7.530
  131   HD13  LEU  14          3HD1      LEU  14  -3.639   8.339  -8.134
  132   HD21  LEU  14          3HD2      LEU  14  -3.291   7.073 -11.494
  133   HD22  LEU  14          1HD2      LEU  14  -2.742   8.729 -11.261
  134   HD23  LEU  14          2HD2      LEU  14  -4.186   8.147 -10.449
  135    HA   PRO  15           HA       PRO  15  -1.236   5.982 -15.166
  136    HB2  PRO  15           1HB      PRO  15  -4.151   5.756 -14.472
  137    HB3  PRO  15           2HB      PRO  15  -3.303   5.004 -15.818
  138    HG2  PRO  15           1HG      PRO  15  -3.939   3.565 -13.627
  139    HG3  PRO  15           2HG      PRO  15  -2.398   3.316 -14.467
  140    HD2  PRO  15           1HD      PRO  15  -2.929   4.657 -11.836
  141    HD3  PRO  15           2HD      PRO  15  -1.489   3.803 -12.410
  142    H    GLU  16           H        GLU  16  -1.751   7.807 -16.437
  143    HA   GLU  16           HA       GLU  16  -2.355  10.282 -15.016
  144    HB2  GLU  16           1HB      GLU  16  -1.865  11.348 -17.214
  145    HB3  GLU  16           2HB      GLU  16  -0.569  10.280 -16.671
  146    HG2  GLU  16           1HG      GLU  16  -1.436   8.472 -18.146
  147    HG3  GLU  16           2HG      GLU  16  -2.719   9.540 -18.699
  148    H    ASP  17           H        ASP  17  -4.058   8.086 -17.121
  149    HA   ASP  17           HA       ASP  17  -6.275   9.991 -17.604
  150    HB2  ASP  17           1HB      ASP  17  -5.812   7.145 -18.570
  151    HB3  ASP  17           2HB      ASP  17  -7.109   8.217 -19.100
  152    H    LEU  18           H        LEU  18  -5.420   7.767 -15.245
  153    HA   LEU  18           HA       LEU  18  -8.279   7.347 -14.430
  154    HB2  LEU  18           1HB      LEU  18  -6.070   5.410 -13.683
  155    HB3  LEU  18           2HB      LEU  18  -7.781   5.188 -13.586
  156    HG   LEU  18           HG       LEU  18  -6.296   5.495 -16.237
  157   HD11  LEU  18          1HD1      LEU  18  -6.662   3.058 -16.548
  158   HD12  LEU  18          2HD1      LEU  18  -7.267   2.961 -14.904
  159   HD13  LEU  18          3HD1      LEU  18  -5.608   3.408 -15.196
  160   HD21  LEU  18          3HD2      LEU  18  -8.533   4.397 -17.076
  161   HD22  LEU  18          1HD2      LEU  18  -8.531   6.093 -16.662
  162   HD23  LEU  18          2HD2      LEU  18  -9.205   4.928 -15.536
  163    H    VAL  19           H        VAL  19  -8.729   7.458 -12.207
  164    HA   VAL  19           HA       VAL  19  -6.597   8.452 -10.400
  165    HB   VAL  19           HB       VAL  19  -7.881  10.413  -9.705
  166   HG11  VAL  19          1HG1      VAL  19  -7.549  11.812 -11.676
  167   HG12  VAL  19          2HG1      VAL  19  -7.649  10.423 -12.744
  168   HG13  VAL  19          3HG1      VAL  19  -6.271  10.597 -11.661
  169   HG21  VAL  19          3HG2      VAL  19 -10.190   9.730 -10.050
  170   HG22  VAL  19          1HG2      VAL  19  -9.923   9.426 -11.763
  171   HG23  VAL  19          2HG2      VAL  19  -9.929  11.083 -11.145
  172    H    LEU  20           H        LEU  20  -7.236   8.560  -8.192
  173    HA   LEU  20           HA       LEU  20  -8.885   6.279  -7.445
  174    HB2  LEU  20           1HB      LEU  20  -6.629   6.723  -6.486
  175    HB3  LEU  20           2HB      LEU  20  -7.240   8.205  -5.762
  176    HG   LEU  20           HG       LEU  20  -8.846   6.847  -4.396
  177   HD11  LEU  20          1HD1      LEU  20  -9.319   4.858  -5.567
  178   HD12  LEU  20          2HD1      LEU  20  -8.262   4.296  -4.283
  179   HD13  LEU  20          3HD1      LEU  20  -7.620   4.525  -5.911
  180   HD21  LEU  20          3HD2      LEU  20  -7.139   5.852  -2.883
  181   HD22  LEU  20          1HD2      LEU  20  -6.599   7.416  -3.497
  182   HD23  LEU  20          2HD2      LEU  20  -5.951   5.930  -4.181
  183    H    GLU  21           H        GLU  21 -10.837   6.405  -6.404
  184    HA   GLU  21           HA       GLU  21 -12.264   8.963  -6.448
  185    HB2  GLU  21           1HB      GLU  21 -14.232   7.606  -5.860
  186    HB3  GLU  21           2HB      GLU  21 -13.356   6.906  -7.213
  187    HG2  GLU  21           1HG      GLU  21 -12.287   5.256  -5.729
  188    HG3  GLU  21           2HG      GLU  21 -13.101   5.956  -4.335
  189    H    LYS  22           H        LYS  22 -10.781   6.893  -4.077
  190    HA   LYS  22           HA       LYS  22 -11.271   8.911  -2.011
  191    HB2  LYS  22           1HB      LYS  22 -13.225   7.325  -1.949
  192    HB3  LYS  22           2HB      LYS  22 -12.102   6.041  -1.511
  193    HG2  LYS  22           1HG      LYS  22 -11.442   7.308   0.526
  194    HG3  LYS  22           2HG      LYS  22 -12.513   8.627   0.065
  195    HD2  LYS  22           1HD      LYS  22 -13.593   7.253   1.775
  196    HD3  LYS  22           2HD      LYS  22 -14.464   7.103   0.250
  197    HE2  LYS  22           1HE      LYS  22 -12.326   5.041   0.895
  198    HE3  LYS  22           2HE      LYS  22 -13.906   4.909   1.661
  199    HZ1  LYS  22           3HZ      LYS  22 -13.343   3.907  -0.729
  200    HZ2  LYS  22           1HZ      LYS  22 -13.950   5.422  -1.190
  201    HZ3  LYS  22           2HZ      LYS  22 -14.904   4.377  -0.247
  202    HA   PRO  23           HA       PRO  23  -6.970   7.757  -1.147
  203    HB2  PRO  23           1HB      PRO  23  -7.785   8.494   1.684
  204    HB3  PRO  23           2HB      PRO  23  -6.292   8.923   0.810
  205    HG2  PRO  23           1HG      PRO  23  -8.243  10.722   1.048
  206    HG3  PRO  23           2HG      PRO  23  -7.384  10.545  -0.501
  207    HD2  PRO  23           1HD      PRO  23 -10.168   9.590   0.217
  208    HD3  PRO  23           2HD      PRO  23  -9.534  10.207  -1.331
  209    H    LEU  24           H        LEU  24  -5.797   6.106  -0.134
  210    HA   LEU  24           HA       LEU  24  -7.199   3.686   0.391
  211    HB2  LEU  24           1HB      LEU  24  -4.273   4.296   0.771
  212    HB3  LEU  24           2HB      LEU  24  -4.992   2.691   0.654
  213    HG   LEU  24           HG       LEU  24  -5.083   4.792  -1.568
  214   HD11  LEU  24          1HD1      LEU  24  -3.336   2.327  -1.227
  215   HD12  LEU  24          2HD1      LEU  24  -2.795   4.012  -1.312
  216   HD13  LEU  24          3HD1      LEU  24  -3.500   3.230  -2.721
  217   HD21  LEU  24          3HD2      LEU  24  -5.998   1.877  -1.482
  218   HD22  LEU  24          1HD2      LEU  24  -5.800   2.780  -2.985
  219   HD23  LEU  24          2HD2      LEU  24  -7.000   3.290  -1.821
  220    HA   PRO  25           HA       PRO  25  -7.789   4.599   4.838
  221    HB2  PRO  25           1HB      PRO  25  -8.467   1.633   4.865
  222    HB3  PRO  25           2HB      PRO  25  -9.345   2.982   5.630
  223    HG2  PRO  25           1HG      PRO  25 -10.298   1.937   3.393
  224    HG3  PRO  25           2HG      PRO  25 -10.247   3.707   3.573
  225    HD2  PRO  25           1HD      PRO  25  -8.336   1.935   2.006
  226    HD3  PRO  25           2HD      PRO  25  -9.087   3.485   1.545
  227    H    GLU  26           H        GLU  26  -6.878   3.800   6.886
  228    HA   GLU  26           HA       GLU  26  -4.127   2.860   6.582
  229    HB2  GLU  26           1HB      GLU  26  -5.647   3.694   9.095
  230    HB3  GLU  26           2HB      GLU  26  -3.906   3.492   8.939
  231    HG2  GLU  26           1HG      GLU  26  -5.591   5.552   7.463
  232    HG3  GLU  26           2HG      GLU  26  -4.536   5.884   8.831
  233    H    VAL  27           H        VAL  27  -3.283   1.082   7.646
  234    HA   VAL  27           HA       VAL  27  -5.063  -0.857   8.961
  235    HB   VAL  27           HB       VAL  27  -5.282  -1.359   6.554
  236   HG11  VAL  27          1HG1      VAL  27  -3.351  -2.100   5.218
  237   HG12  VAL  27          2HG1      VAL  27  -2.265  -1.813   6.574
  238   HG13  VAL  27          3HG1      VAL  27  -3.085  -0.457   5.801
  239   HG21  VAL  27          3HG2      VAL  27  -4.738  -3.735   6.659
  240   HG22  VAL  27          1HG2      VAL  27  -5.281  -3.226   8.253
  241   HG23  VAL  27          2HG2      VAL  27  -3.562  -3.467   7.942
  242    H    SER  28           H        SER  28  -4.015  -2.185  10.357
  243    HA   SER  28           HA       SER  28  -1.222  -1.528  11.037
  244    HB2  SER  28           1HB      SER  28  -3.271  -3.277  12.440
  245    HB3  SER  28           2HB      SER  28  -1.690  -2.831  13.082
  246    HG   SER  28           HG       SER  28  -2.341  -0.677  13.045
  247    H    VAL  29           H        VAL  29   0.236  -3.303  11.620
  248    HA   VAL  29           HA       VAL  29  -0.089  -5.813   9.997
  249    HB   VAL  29           HB       VAL  29   2.184  -5.611   9.151
  250   HG11  VAL  29          1HG1      VAL  29   0.813  -2.899   8.821
  251   HG12  VAL  29          2HG1      VAL  29   0.387  -4.343   7.930
  252   HG13  VAL  29          3HG1      VAL  29   1.970  -3.631   7.711
  253   HG21  VAL  29          3HG2      VAL  29   3.336  -4.526  11.053
  254   HG22  VAL  29          1HG2      VAL  29   2.390  -3.058  10.822
  255   HG23  VAL  29          2HG2      VAL  29   3.580  -3.547   9.614
  256    H    THR  30           H        THR  30   1.271  -7.594  10.761
  257    HA   THR  30           HA       THR  30   2.076  -7.289  13.646
  258    HB   THR  30           HB       THR  30   1.082  -9.881  12.362
  259    HG1  THR  30           HG1      THR  30  -0.616  -8.638  14.076
  260   HG21  THR  30          3HG2      THR  30   2.398  -9.965  14.545
  261   HG22  THR  30          1HG2      THR  30   0.740 -10.541  14.709
  262   HG23  THR  30          2HG2      THR  30   1.175  -8.927  15.263
  263    H    ILE  31           H        ILE  31   4.200  -7.423  13.877
  264    HA   ILE  31           HA       ILE  31   5.805  -9.257  12.158
  265    HB   ILE  31           HB       ILE  31   6.627  -6.523  13.190
  266   HG12  ILE  31          1HG1      ILE  31   5.027  -6.395  11.279
  267   HG13  ILE  31          2HG1      ILE  31   6.628  -5.861  10.804
  268   HG21  ILE  31          1HG2      ILE  31   8.655  -6.948  11.724
  269   HG22  ILE  31          2HG2      ILE  31   8.092  -8.608  11.545
  270   HG23  ILE  31          3HG2      ILE  31   8.565  -8.006  13.136
  271   HD11  ILE  31          3HD1      ILE  31   5.070  -8.240   9.909
  272   HD12  ILE  31          1HD1      ILE  31   6.811  -8.464  10.007
  273   HD13  ILE  31          2HD1      ILE  31   6.138  -7.199   8.996
  274    H    ARG  32           H        ARG  32   7.227 -10.519  13.166
  275    HA   ARG  32           HA       ARG  32   7.343 -10.450  16.163
  276    HB2  ARG  32           1HB      ARG  32   6.241 -12.449  15.165
  277    HB3  ARG  32           2HB      ARG  32   7.723 -12.820  14.288
  278    HG2  ARG  32           1HG      ARG  32   8.948 -13.016  16.459
  279    HG3  ARG  32           2HG      ARG  32   7.463 -12.644  17.324
  280    HD2  ARG  32           1HD      ARG  32   6.413 -14.672  16.342
  281    HD3  ARG  32           2HD      ARG  32   7.939 -15.062  15.544
  282    HE   ARG  32           HE       ARG  32   7.292 -15.450  18.328
  283   HH11  ARG  32          1HH2      ARG  32   9.883 -14.781  16.098
  284   HH12  ARG  32          2HH2      ARG  32  11.120 -15.354  17.164
  285   HH21  ARG  32          1HH1      ARG  32   8.932 -16.172  19.714
  286   HH22  ARG  32          2HH1      ARG  32  10.585 -16.136  19.199
  287    H    ALA  33           H        ALA  33   9.217  -9.724  16.902
  288    HA   ALA  33           HA       ALA  33  11.736 -10.780  16.036
  289    HB1  ALA  33           3HB      ALA  33  10.788  -8.616  14.469
  290    HB2  ALA  33           1HB      ALA  33  12.446  -9.200  14.525
  291    HB3  ALA  33           2HB      ALA  33  11.939  -7.863  15.556
  292    H    TYR  34           H        TYR  34  13.563  -9.325  17.051
  293    HA   TYR  34           HA       TYR  34  13.184  -9.421  19.851
  294    HB2  TYR  34           1HB      TYR  34  15.392  -8.171  18.179
  295    HB3  TYR  34           2HB      TYR  34  15.488  -8.414  19.912
  296    HD1  TYR  34           HD2      TYR  34  15.462 -10.742  20.883
  297    HD2  TYR  34           HD1      TYR  34  15.655 -10.081  16.624
  298    HE1  TYR  34           HE2      TYR  34  16.169 -13.091  20.540
  299    HE2  TYR  34           HE1      TYR  34  16.359 -12.438  16.301
  300    HH   TYR  34           HH       TYR  34  16.972 -14.328  17.305
  301    HA   PRO  35           HA       PRO  35  11.605  -5.251  20.451
  302    HB2  PRO  35           1HB      PRO  35  12.202  -4.750  23.085
  303    HB3  PRO  35           2HB      PRO  35  10.943  -5.903  22.588
  304    HG2  PRO  35           1HG      PRO  35  13.779  -6.470  23.443
  305    HG3  PRO  35           2HG      PRO  35  12.283  -7.324  23.885
  306    HD2  PRO  35           1HD      PRO  35  13.987  -8.260  21.912
  307    HD3  PRO  35           2HD      PRO  35  12.231  -8.554  21.884
  308    H    GLU  36           H        GLU  36  14.962  -5.965  21.012
  309    HA   GLU  36           HA       GLU  36  15.956  -3.339  21.475
  310    HB2  GLU  36           1HB      GLU  36  18.142  -4.285  21.141
  311    HB3  GLU  36           2HB      GLU  36  17.155  -5.560  21.852
  312    HG2  GLU  36           1HG      GLU  36  16.721  -6.348  19.389
  313    HG3  GLU  36           2HG      GLU  36  18.054  -5.282  18.959
  314    H    ILE  37           H        ILE  37  15.443  -5.164  18.471
  315    HA   ILE  37           HA       ILE  37  16.452  -2.941  16.809
  316    HB   ILE  37           HB       ILE  37  15.990  -4.373  14.881
  317   HG12  ILE  37          1HG1      ILE  37  14.686  -6.226  16.910
  318   HG13  ILE  37          2HG1      ILE  37  13.908  -5.463  15.540
  319   HG21  ILE  37          1HG2      ILE  37  17.248  -6.242  16.942
  320   HG22  ILE  37          2HG2      ILE  37  18.082  -4.763  16.467
  321   HG23  ILE  37          3HG2      ILE  37  17.708  -5.992  15.264
  322   HD11  ILE  37          3HD1      ILE  37  15.844  -7.763  15.583
  323   HD12  ILE  37          1HD1      ILE  37  15.648  -6.811  14.106
  324   HD13  ILE  37          2HD1      ILE  37  14.276  -7.653  14.803
  325    H    LEU  38           H        LEU  38  13.359  -4.329  17.772
  326    HA   LEU  38           HA       LEU  38  11.750  -2.766  15.973
  327    HB2  LEU  38           1HB      LEU  38  11.075  -4.148  18.553
  328    HB3  LEU  38           2HB      LEU  38   9.863  -3.374  17.573
  329    HG   LEU  38           HG       LEU  38  11.662  -5.590  16.470
  330   HD11  LEU  38          1HD1      LEU  38   8.898  -5.889  17.689
  331   HD12  LEU  38          2HD1      LEU  38  10.397  -6.512  18.373
  332   HD13  LEU  38          3HD1      LEU  38   9.785  -7.166  16.855
  333   HD21  LEU  38          3HD2      LEU  38   9.770  -5.832  14.801
  334   HD22  LEU  38          1HD2      LEU  38  10.528  -4.248  14.720
  335   HD23  LEU  38          2HD2      LEU  38   8.991  -4.444  15.546
  336    H    ASN  39           H        ASN  39  12.987  -2.270  19.222
  337    HA   ASN  39           HA       ASN  39  11.512   0.147  19.748
  338    HB2  ASN  39           1HB      ASN  39  12.409  -1.253  21.574
  339    HB3  ASN  39           2HB      ASN  39  14.053  -0.944  21.024
  340   HD21  ASN  39          2HD2      ASN  39  11.114   0.929  21.972
  341   HD22  ASN  39          1HD2      ASN  39  11.970   2.129  22.811
  342    H    ASN  40           H        ASN  40  14.164  -0.609  17.777
  343    HA   ASN  40           HA       ASN  40  15.255   2.165  17.768
  344    HB2  ASN  40           1HB      ASN  40  16.839   0.262  18.053
  345    HB3  ASN  40           2HB      ASN  40  16.335  -0.384  16.495
  346   HD21  ASN  40          2HD2      ASN  40  17.833   2.521  17.998
  347   HD22  ASN  40          1HD2      ASN  40  18.685   2.989  16.607
  348    H    LEU  41           H        LEU  41  13.578  -0.214  15.814
  349    HA   LEU  41           HA       LEU  41  13.938   0.979  13.295
  350    HB2  LEU  41           1HB      LEU  41  12.701  -1.353  14.220
  351    HB3  LEU  41           2HB      LEU  41  11.315  -0.438  13.693
  352    HG   LEU  41           HG       LEU  41  12.089  -1.869  11.879
  353   HD11  LEU  41          1HD1      LEU  41  11.257   0.471  11.338
  354   HD12  LEU  41          2HD1      LEU  41  12.267  -0.290  10.111
  355   HD13  LEU  41          3HD1      LEU  41  12.947   0.946  11.151
  356   HD21  LEU  41          3HD2      LEU  41  14.257  -2.196  11.199
  357   HD22  LEU  41          1HD2      LEU  41  14.675  -1.629  12.813
  358   HD23  LEU  41          2HD2      LEU  41  14.742  -0.522  11.448
  359    H    THR  42           H        THR  42  12.766   2.510  12.192
  360    HA   THR  42           HA       THR  42  10.617   3.991  13.680
  361    HB   THR  42           HB       THR  42  12.586   5.385  13.656
  362    HG1  THR  42           HG1      THR  42  10.621   6.387  13.136
  363   HG21  THR  42          3HG2      THR  42  13.772   5.974  11.590
  364   HG22  THR  42          1HG2      THR  42  12.684   4.952  10.659
  365   HG23  THR  42          2HG2      THR  42  13.812   4.225  11.807
  366    H    LYS  43           H        LYS  43   8.893   4.683  12.523
  367    HA   LYS  43           HA       LYS  43   7.909   3.130  10.447
  368    HB2  LYS  43           1HB      LYS  43   7.232   6.001  11.157
  369    HB3  LYS  43           2HB      LYS  43   6.227   4.949  10.151
  370    HG2  LYS  43           1HG      LYS  43   5.939   3.373  12.021
  371    HG3  LYS  43           2HG      LYS  43   6.998   4.353  13.045
  372    HD2  LYS  43           1HD      LYS  43   5.440   6.253  12.883
  373    HD3  LYS  43           2HD      LYS  43   4.382   5.323  11.822
  374    HE2  LYS  43           1HE      LYS  43   3.535   5.290  14.144
  375    HE3  LYS  43           2HE      LYS  43   4.022   3.669  13.640
  376    HZ1  LYS  43           3HZ      LYS  43   5.783   3.665  15.028
  377    HZ2  LYS  43           1HZ      LYS  43   4.839   4.774  15.894
  378    HZ3  LYS  43           2HZ      LYS  43   6.074   5.331  14.867
  379    H    GLU  44           H        GLU  44   9.663   6.199  10.245
  380    HA   GLU  44           HA       GLU  44   9.340   6.786   7.532
  381    HB2  GLU  44           1HB      GLU  44  11.764   7.280   9.305
  382    HB3  GLU  44           2HB      GLU  44  11.462   8.092   7.768
  383    HG2  GLU  44           1HG      GLU  44   9.606   8.228  10.184
  384    HG3  GLU  44           2HG      GLU  44  10.771   9.473   9.754
  385    H    GLN  45           H        GLN  45  11.210   4.287   9.014
  386    HA   GLN  45           HA       GLN  45  13.014   3.851   6.804
  387    HB2  GLN  45           1HB      GLN  45  13.503   3.193   9.190
  388    HB3  GLN  45           2HB      GLN  45  12.288   1.939   9.039
  389    HG2  GLN  45           1HG      GLN  45  14.495   0.948   8.651
  390    HG3  GLN  45           2HG      GLN  45  13.613   0.942   7.132
  391   HE21  GLN  45          2HE2      GLN  45  14.811   1.743   5.384
  392   HE22  GLN  45          1HE2      GLN  45  16.115   2.820   5.510
  393    H    ILE  46           H        ILE  46   9.918   2.498   7.838
  394    HA   ILE  46           HA       ILE  46   9.913   0.317   5.993
  395    HB   ILE  46           HB       ILE  46   7.403   1.615   7.161
  396   HG12  ILE  46          1HG1      ILE  46   8.929   1.422   9.059
  397   HG13  ILE  46          2HG1      ILE  46   7.767   0.112   9.176
  398   HG21  ILE  46          1HG2      ILE  46   8.116  -1.305   6.602
  399   HG22  ILE  46          2HG2      ILE  46   7.186  -0.294   5.521
  400   HG23  ILE  46          3HG2      ILE  46   6.547  -0.689   7.113
  401   HD11  ILE  46          3HD1      ILE  46   9.547  -1.328   7.999
  402   HD12  ILE  46          1HD1      ILE  46   9.888  -0.857   9.652
  403   HD13  ILE  46          2HD1      ILE  46  10.662  -0.016   8.319
  404    H    SER  47           H        SER  47   9.529   0.350   3.882
  405    HA   SER  47           HA       SER  47   8.368   2.795   2.594
  406    HB2  SER  47           1HB      SER  47  10.715   1.911   2.021
  407    HB3  SER  47           2HB      SER  47   9.890   0.621   1.190
  408    HG   SER  47           HG       SER  47  10.185   2.275  -0.265
  409    H    LEU  48           H        LEU  48   6.251   2.549   2.292
  410    HA   LEU  48           HA       LEU  48   5.171  -0.037   1.220
  411    HB2  LEU  48           1HB      LEU  48   3.742   1.976   3.009
  412    HB3  LEU  48           2HB      LEU  48   3.105   0.433   2.446
  413    HG   LEU  48           HG       LEU  48   5.522   0.765   4.253
  414   HD11  LEU  48          1HD1      LEU  48   2.714  -0.171   4.903
  415   HD12  LEU  48          2HD1      LEU  48   3.439   1.356   5.408
  416   HD13  LEU  48          3HD1      LEU  48   4.077  -0.169   6.027
  417   HD21  LEU  48          3HD2      LEU  48   5.800  -1.311   3.045
  418   HD22  LEU  48          1HD2      LEU  48   4.098  -1.716   3.192
  419   HD23  LEU  48          2HD2      LEU  48   5.159  -1.779   4.599
  420    H    TRP  49           H        TRP  49   4.225   0.054  -0.647
  421    HA   TRP  49           HA       TRP  49   2.699   2.317  -1.529
  422    HB2  TRP  49           1HB      TRP  49   4.037   3.014  -3.403
  423    HB3  TRP  49           2HB      TRP  49   5.162   2.899  -2.056
  424    HD1  TRP  49           HD1      TRP  49   4.157   1.065  -5.263
  425    HE1  TRP  49           HE1      TRP  49   6.033  -0.519  -5.964
  426    HE3  TRP  49           HE3      TRP  49   7.215   1.525  -1.211
  427    HZ2  TRP  49           HZ2      TRP  49   8.509  -1.492  -4.945
  428    HZ3  TRP  49           HZ3      TRP  49   9.339   0.246  -1.118
  429    HH2  TRP  49           HH2      TRP  49   9.991  -1.257  -2.971
  430    H    ILE  50           H        ILE  50   2.237   1.831  -4.056
  431    HA   ILE  50           HA       ILE  50   1.789  -1.070  -4.474
  432    HB   ILE  50           HB       ILE  50  -0.531   0.883  -4.855
  433   HG12  ILE  50          1HG1      ILE  50   0.128  -0.714  -2.367
  434   HG13  ILE  50          2HG1      ILE  50   0.070   1.031  -2.465
  435   HG21  ILE  50          1HG2      ILE  50  -0.550  -1.376  -5.998
  436   HG22  ILE  50          2HG2      ILE  50  -1.873  -1.163  -4.864
  437   HG23  ILE  50          3HG2      ILE  50  -0.472  -2.135  -4.407
  438   HD11  ILE  50          3HD1      ILE  50  -2.272  -0.866  -2.727
  439   HD12  ILE  50          1HD1      ILE  50  -2.360   0.866  -3.051
  440   HD13  ILE  50          2HD1      ILE  50  -1.963   0.282  -1.435
  441    H    ASP  51           H        ASP  51   1.565  -1.657  -6.616
  442    HA   ASP  51           HA       ASP  51   2.439   0.355  -8.627
  443    HB2  ASP  51           1HB      ASP  51   2.995  -1.656  -9.980
  444    HB3  ASP  51           2HB      ASP  51   3.824  -1.646  -8.427
  445    H    ALA  52           H        ALA  52   0.722   1.335  -9.532
  446    HA   ALA  52           HA       ALA  52  -1.770  -0.142 -10.129
  447    HB1  ALA  52           3HB      ALA  52  -2.117   2.018  -9.168
  448    HB2  ALA  52           1HB      ALA  52  -2.513   2.187 -10.879
  449    HB3  ALA  52           2HB      ALA  52  -0.959   2.776 -10.258
  450    H    THR  53           H        THR  53   1.138   0.153 -11.618
  451    HA   THR  53           HA       THR  53   0.337   0.695 -14.342
  452    HB   THR  53           HB       THR  53   2.676   1.016 -14.019
  453    HG1  THR  53           HG1      THR  53   3.041  -1.574 -14.837
  454   HG21  THR  53          3HG2      THR  53   2.987  -0.012 -11.842
  455   HG22  THR  53          1HG2      THR  53   4.119  -0.777 -12.954
  456   HG23  THR  53          2HG2      THR  53   2.643  -1.618 -12.489
  457    H    GLY  54           H        GLY  54   0.337  -0.876 -16.050
  458    HA2  GLY  54           1HA      GLY  54  -0.384  -2.833 -17.057
  459    HA3  GLY  54           2HA      GLY  54   0.211  -3.701 -15.644
  460    H    LYS  55           H        LYS  55  -1.487  -2.260 -13.764
  461    HA   LYS  55           HA       LYS  55  -3.778  -3.935 -13.797
  462    HB2  LYS  55           1HB      LYS  55  -2.862  -1.588 -12.104
  463    HB3  LYS  55           2HB      LYS  55  -4.530  -2.114 -11.943
  464    HG2  LYS  55           1HG      LYS  55  -3.245  -3.247 -10.234
  465    HG3  LYS  55           2HG      LYS  55  -3.676  -4.446 -11.447
  466    HD2  LYS  55           1HD      LYS  55  -1.396  -4.184 -12.468
  467    HD3  LYS  55           2HD      LYS  55  -0.986  -3.030 -11.199
  468    HE2  LYS  55           1HE      LYS  55  -0.137  -5.288 -10.633
  469    HE3  LYS  55           2HE      LYS  55  -1.381  -4.792  -9.484
  470    HZ1  LYS  55           3HZ      LYS  55  -2.961  -6.164 -10.504
  471    HZ2  LYS  55           1HZ      LYS  55  -1.560  -7.116 -10.434
  472    HZ3  LYS  55           2HZ      LYS  55  -2.016  -6.384 -11.900
  473    H    ALA  56           H        ALA  56  -5.866  -3.527 -14.289
  474    HA   ALA  56           HA       ALA  56  -6.457  -1.164 -16.019
  475    HB1  ALA  56           3HB      ALA  56  -7.840  -3.874 -15.805
  476    HB2  ALA  56           1HB      ALA  56  -6.703  -3.401 -17.068
  477    HB3  ALA  56           2HB      ALA  56  -8.258  -2.581 -16.933
  478    H    VAL  57           H        VAL  57  -8.817  -0.561 -15.930
  479    HA   VAL  57           HA       VAL  57  -9.441   0.492 -13.423
  480    HB   VAL  57           HB       VAL  57 -11.456  -0.037 -15.664
  481   HG11  VAL  57          1HG1      VAL  57 -11.251   2.206 -13.621
  482   HG12  VAL  57          2HG1      VAL  57 -12.352   0.839 -13.464
  483   HG13  VAL  57          3HG1      VAL  57 -12.553   1.994 -14.784
  484   HG21  VAL  57          3HG2      VAL  57 -10.778   2.182 -16.576
  485   HG22  VAL  57          1HG2      VAL  57  -9.432   1.046 -16.626
  486   HG23  VAL  57          2HG2      VAL  57  -9.502   2.279 -15.375
  487    H    GLY  58           H        GLY  58 -10.853  -0.132 -11.821
  488    HA2  GLY  58           1HA      GLY  58 -12.789  -1.600 -11.169
  489    HA3  GLY  58           2HA      GLY  58 -11.884  -2.943 -11.841
  490    H    GLU  59           H        GLU  59 -12.660  -3.220  -9.320
  491    HA   GLU  59           HA       GLU  59 -10.386  -2.478  -7.564
  492    HB2  GLU  59           1HB      GLU  59 -11.926  -3.084  -5.708
  493    HB3  GLU  59           2HB      GLU  59 -12.588  -1.819  -6.740
  494    HG2  GLU  59           1HG      GLU  59 -13.940  -3.535  -7.954
  495    HG3  GLU  59           2HG      GLU  59 -13.336  -4.768  -6.853
  496    H    HIS  60           H        HIS  60  -9.009  -3.899  -6.808
  497    HA   HIS  60           HA       HIS  60  -9.629  -6.755  -6.672
  498    HB2  HIS  60           1HB      HIS  60  -8.716  -6.378  -8.976
  499    HB3  HIS  60           2HB      HIS  60  -7.241  -5.724  -8.267
  500    HD1  HIS  60           HD1      HIS  60  -9.337  -8.892  -7.788
  501    HD2  HIS  60           HD2      HIS  60  -5.343  -7.728  -8.049
  502    HE1  HIS  60           HE1      HIS  60  -7.959 -10.998  -7.523
  503    HE2  HIS  60           HE2      HIS  60  -5.520 -10.307  -7.681
  504    H    THR  61           H        THR  61  -8.119  -7.924  -5.424
  505    HA   THR  61           HA       THR  61  -6.912  -6.349  -3.246
  506    HB   THR  61           HB       THR  61  -6.350  -8.840  -2.456
  507    HG1  THR  61           HG1      THR  61  -6.788 -10.063  -4.126
  508   HG21  THR  61          3HG2      THR  61  -8.070  -7.459  -1.354
  509   HG22  THR  61          1HG2      THR  61  -8.646  -9.114  -1.558
  510   HG23  THR  61          2HG2      THR  61  -9.218  -7.848  -2.641
  511    H    VAL  62           H        VAL  62  -4.742  -6.189  -2.852
  512    HA   VAL  62           HA       VAL  62  -2.795  -7.595  -4.596
  513    HB   VAL  62           HB       VAL  62  -1.657  -5.439  -5.177
  514   HG11  VAL  62          1HG1      VAL  62  -3.321  -6.539  -6.759
  515   HG12  VAL  62          2HG1      VAL  62  -3.175  -4.796  -6.978
  516   HG13  VAL  62          3HG1      VAL  62  -4.564  -5.458  -6.130
  517   HG21  VAL  62          3HG2      VAL  62  -4.176  -4.178  -3.999
  518   HG22  VAL  62          1HG2      VAL  62  -2.935  -3.322  -4.900
  519   HG23  VAL  62          2HG2      VAL  62  -2.548  -4.027  -3.339
  520    H    LYS  63           H        LYS  63  -0.655  -7.491  -3.878
  521    HA   LYS  63           HA       LYS  63  -0.409  -7.280  -0.951
  522    HB2  LYS  63           1HB      LYS  63   1.577  -8.359  -2.989
  523    HB3  LYS  63           2HB      LYS  63   1.635  -8.569  -1.239
  524    HG2  LYS  63           1HG      LYS  63  -0.544  -9.667  -3.068
  525    HG3  LYS  63           2HG      LYS  63   0.787 -10.601  -2.398
  526    HD2  LYS  63           1HD      LYS  63  -0.066 -10.069  -0.082
  527    HD3  LYS  63           2HD      LYS  63  -1.457  -9.269  -0.810
  528    HE2  LYS  63           1HE      LYS  63  -0.730 -12.184  -1.218
  529    HE3  LYS  63           2HE      LYS  63  -2.035 -11.580  -0.194
  530    HZ1  LYS  63           3HZ      LYS  63  -1.804 -11.480  -3.136
  531    HZ2  LYS  63           1HZ      LYS  63  -2.813 -10.396  -2.310
  532    HZ3  LYS  63           2HZ      LYS  63  -3.081 -12.069  -2.185
  533    H    ILE  64           H        ILE  64   1.117  -6.098   0.079
  534    HA   ILE  64           HA       ILE  64   2.056  -3.663  -1.348
  535    HB   ILE  64           HB       ILE  64   2.209  -4.201   1.665
  536   HG12  ILE  64          1HG1      ILE  64  -0.137  -4.608   1.091
  537   HG13  ILE  64          2HG1      ILE  64  -0.024  -3.020   1.838
  538   HG21  ILE  64          1HG2      ILE  64   3.456  -2.244   0.799
  539   HG22  ILE  64          2HG2      ILE  64   2.079  -1.719   1.771
  540   HG23  ILE  64          3HG2      ILE  64   1.993  -1.637   0.012
  541   HD11  ILE  64          3HD1      ILE  64  -0.383  -3.659  -1.106
  542   HD12  ILE  64          1HD1      ILE  64   0.058  -2.063  -0.527
  543   HD13  ILE  64          2HD1      ILE  64  -1.458  -2.769  -0.053
  544    H    TYR  65           H        TYR  65   4.087  -3.738  -2.122
  545    HA   TYR  65           HA       TYR  65   5.992  -5.745  -1.407
  546    HB2  TYR  65           1HB      TYR  65   5.823  -4.485  -3.632
  547    HB3  TYR  65           2HB      TYR  65   6.585  -3.112  -2.843
  548    HD1  TYR  65           HD2      TYR  65   8.965  -3.288  -2.003
  549    HD2  TYR  65           HD1      TYR  65   7.109  -6.544  -4.137
  550    HE1  TYR  65           HE2      TYR  65  11.183  -4.339  -2.351
  551    HE2  TYR  65           HE1      TYR  65   9.335  -7.580  -4.472
  552    HH   TYR  65           HH       TYR  65  12.139  -6.489  -2.815
  553    H    TRP  66           H        TRP  66   6.326  -5.623   0.813
  554    HA   TRP  66           HA       TRP  66   7.062  -3.210   2.188
  555    HB2  TRP  66           1HB      TRP  66   7.197  -4.578   4.148
  556    HB3  TRP  66           2HB      TRP  66   5.906  -5.268   3.173
  557    HD1  TRP  66           HD1      TRP  66   9.307  -6.037   4.567
  558    HE1  TRP  66           HE1      TRP  66   9.947  -8.465   4.076
  559    HE3  TRP  66           HE3      TRP  66   5.549  -7.268   1.355
  560    HZ2  TRP  66           HZ2      TRP  66   8.992 -10.661   2.489
  561    HZ3  TRP  66           HZ3      TRP  66   5.433  -9.536   0.363
  562    HH2  TRP  66           HH2      TRP  66   7.150 -11.235   0.929
  563    H    GLN  67           H        GLN  67   9.079  -2.619   3.030
  564    HA   GLN  67           HA       GLN  67  11.488  -4.119   2.207
  565    HB2  GLN  67           1HB      GLN  67  10.904  -2.523   0.313
  566    HB3  GLN  67           2HB      GLN  67  11.139  -1.211   1.438
  567    HG2  GLN  67           1HG      GLN  67  13.191  -1.474   0.158
  568    HG3  GLN  67           2HG      GLN  67  13.506  -1.965   1.818
  569   HE21  GLN  67          2HE2      GLN  67  15.063  -3.608   1.528
  570   HE22  GLN  67          1HE2      GLN  67  14.824  -4.978   0.556
  571    H    LEU  68           H        LEU  68  12.521  -4.333   4.029
  572    HA   LEU  68           HA       LEU  68  13.181  -1.977   5.645
  573    HB2  LEU  68           1HB      LEU  68  12.590  -3.665   7.743
  574    HB3  LEU  68           2HB      LEU  68  11.499  -2.440   7.129
  575    HG   LEU  68           HG       LEU  68  10.441  -4.142   5.634
  576   HD11  LEU  68          1HD1      LEU  68  12.145  -5.757   5.240
  577   HD12  LEU  68          2HD1      LEU  68  10.985  -6.609   6.236
  578   HD13  LEU  68          3HD1      LEU  68  12.466  -5.992   6.954
  579   HD21  LEU  68          3HD2      LEU  68  10.507  -4.794   8.592
  580   HD22  LEU  68          1HD2      LEU  68   9.316  -5.435   7.456
  581   HD23  LEU  68          2HD2      LEU  68   9.407  -3.704   7.750
  582    HA   PRO  69           HA       PRO  69  16.956  -4.493   5.631
  583    HB2  PRO  69           1HB      PRO  69  18.726  -2.733   6.652
  584    HB3  PRO  69           2HB      PRO  69  17.931  -2.399   5.094
  585    HG2  PRO  69           1HG      PRO  69  17.247  -1.303   7.826
  586    HG3  PRO  69           2HG      PRO  69  17.381  -0.441   6.277
  587    HD2  PRO  69           1HD      PRO  69  14.942  -1.338   7.344
  588    HD3  PRO  69           2HD      PRO  69  15.235  -1.037   5.618
  589    H    ALA  70           H        ALA  70  15.878  -5.938   7.244
  590    HA   ALA  70           HA       ALA  70  17.455  -6.087   9.711
  591    HB1  ALA  70           3HB      ALA  70  14.433  -5.815   9.762
  592    HB2  ALA  70           1HB      ALA  70  15.581  -4.633  10.380
  593    HB3  ALA  70           2HB      ALA  70  15.440  -6.208  11.161
  594    H    GLY  71           H        GLY  71  16.210  -7.988  11.052
  595    HA2  GLY  71           1HA      GLY  71  16.000 -10.345   9.212
  596    HA3  GLY  71           2HA      GLY  71  16.749 -10.360  10.805
  597    H    ILE  72           H        ILE  72  13.711  -8.874   9.755
  598    HA   ILE  72           HA       ILE  72  12.284 -10.048  12.027
  599    HB   ILE  72           HB       ILE  72  10.410  -8.701  11.233
  600   HG12  ILE  72          1HG1      ILE  72  11.427  -7.011   9.167
  601   HG13  ILE  72          2HG1      ILE  72  11.949  -8.613   8.673
  602   HG21  ILE  72          1HG2      ILE  72  12.089  -7.652  12.666
  603   HG22  ILE  72          2HG2      ILE  72  11.375  -6.482  11.570
  604   HG23  ILE  72          3HG2      ILE  72  12.981  -7.136  11.245
  605   HD11  ILE  72          3HD1      ILE  72   9.110  -7.760   9.315
  606   HD12  ILE  72          1HD1      ILE  72   9.588  -9.408   8.917
  607   HD13  ILE  72          2HD1      ILE  72   9.761  -8.128   7.721
  608    H    GLU  73           H        GLU  73  10.265 -11.152  11.746
  609    HA   GLU  73           HA       GLU  73  10.256 -13.054   9.436
  610    HB2  GLU  73           1HB      GLU  73   9.002 -13.296  12.200
  611    HB3  GLU  73           2HB      GLU  73   8.947 -14.523  10.929
  612    HG2  GLU  73           1HG      GLU  73  11.436 -14.643  10.954
  613    HG3  GLU  73           2HG      GLU  73  11.477 -13.445  12.248
  614    H    MET  74           H        MET  74   8.764 -12.708   7.941
  615    HA   MET  74           HA       MET  74   6.620 -10.810   8.229
  616    HB2  MET  74           1HB      MET  74   7.009 -12.917   6.061
  617    HB3  MET  74           2HB      MET  74   5.945 -11.509   5.981
  618    HG2  MET  74           1HG      MET  74   7.920 -10.821   4.805
  619    HG3  MET  74           2HG      MET  74   8.118 -10.083   6.386
  620    HE1  MET  74           3HE      MET  74  11.766 -10.930   5.579
  621    HE2  MET  74           1HE      MET  74  10.559  -9.707   5.996
  622    HE3  MET  74           2HE      MET  74  10.555 -10.447   4.401
  623    H    VAL  75           H        VAL  75   5.106 -11.329   9.723
  624    HA   VAL  75           HA       VAL  75   4.165 -13.936  10.350
  625    HB   VAL  75           HB       VAL  75   2.709 -11.287  10.657
  626   HG11  VAL  75          1HG1      VAL  75   1.444 -12.465  12.489
  627   HG12  VAL  75          2HG1      VAL  75   2.203 -13.972  11.989
  628   HG13  VAL  75          3HG1      VAL  75   1.102 -13.140  10.896
  629   HG21  VAL  75          3HG2      VAL  75   3.618 -11.298  12.941
  630   HG22  VAL  75          1HG2      VAL  75   4.943 -11.418  11.797
  631   HG23  VAL  75          2HG2      VAL  75   4.399 -12.849  12.655
  632    H    SER  76           H        SER  76   1.971 -11.528   8.950
  633    HA   SER  76           HA       SER  76   1.367 -12.927   6.540
  634    HB2  SER  76           1HB      SER  76   0.447 -14.590   8.164
  635    HB3  SER  76           2HB      SER  76  -0.540 -13.313   8.879
  636    HG   SER  76           HG       SER  76  -1.881 -14.082   7.373
  637    H    ILE  77           H        ILE  77  -0.488 -11.973   5.456
  638    HA   ILE  77           HA       ILE  77  -1.765 -10.197   4.814
  639    HB   ILE  77           HB       ILE  77  -3.543  -9.749   6.337
  640   HG12  ILE  77          1HG1      ILE  77  -1.832  -9.966   8.854
  641   HG13  ILE  77          2HG1      ILE  77  -2.032  -8.433   8.034
  642   HG21  ILE  77          1HG2      ILE  77  -4.076 -11.666   7.592
  643   HG22  ILE  77          2HG2      ILE  77  -2.393 -12.077   7.839
  644   HG23  ILE  77          3HG2      ILE  77  -3.098 -12.216   6.232
  645   HD11  ILE  77          3HD1      ILE  77  -3.597  -8.591   9.828
  646   HD12  ILE  77          1HD1      ILE  77  -4.160 -10.163   9.268
  647   HD13  ILE  77          2HD1      ILE  77  -4.504  -8.713   8.322
  648    HA   PRO  78           HA       PRO  78  -3.230  -8.230   5.274
  649    HB2  PRO  78           1HB      PRO  78  -3.835  -5.661   5.507
  650    HB3  PRO  78           2HB      PRO  78  -3.491  -6.623   6.962
  651    HG2  PRO  78           1HG      PRO  78  -1.829  -4.502   5.725
  652    HG3  PRO  78           2HG      PRO  78  -1.744  -5.201   7.347
  653    HD2  PRO  78           1HD      PRO  78  -0.165  -5.964   4.924
  654    HD3  PRO  78           2HD      PRO  78   0.171  -6.359   6.625
  655    H    ASP  79           H        ASP  79  -4.621  -7.137   3.746
  656    HA   ASP  79           HA       ASP  79  -3.171  -6.538   1.227
  657    HB2  ASP  79           1HB      ASP  79  -4.413  -8.728   1.310
  658    HB3  ASP  79           2HB      ASP  79  -5.905  -7.842   1.522
  659    H    VAL  80           H        VAL  80  -4.375  -5.177  -0.206
  660    HA   VAL  80           HA       VAL  80  -6.208  -3.261   1.178
  661    HB   VAL  80           HB       VAL  80  -3.855  -2.526  -0.605
  662   HG11  VAL  80          1HG1      VAL  80  -4.441  -0.181   0.078
  663   HG12  VAL  80          2HG1      VAL  80  -5.872  -0.803   0.898
  664   HG13  VAL  80          3HG1      VAL  80  -5.737  -0.933  -0.853
  665   HG21  VAL  80          3HG2      VAL  80  -2.932  -1.531   1.503
  666   HG22  VAL  80          1HG2      VAL  80  -3.133  -3.275   1.652
  667   HG23  VAL  80          2HG2      VAL  80  -4.301  -2.187   2.397
  668    H    THR  81           H        THR  81  -7.993  -2.958   0.156
  669    HA   THR  81           HA       THR  81  -8.244  -3.583  -2.755
  670    HB   THR  81           HB       THR  81 -10.457  -3.656  -0.640
  671    HG1  THR  81           HG1      THR  81  -9.262  -5.917  -1.781
  672   HG21  THR  81          3HG2      THR  81 -11.171  -3.385  -3.027
  673   HG22  THR  81          1HG2      THR  81 -11.646  -4.955  -2.376
  674   HG23  THR  81          2HG2      THR  81 -10.251  -4.831  -3.447
  675    H    TYR  82           H        TYR  82  -8.854  -1.978  -4.007
  676    HA   TYR  82           HA       TYR  82 -10.303   0.383  -2.960
  677    HB2  TYR  82           1HB      TYR  82  -8.711   1.949  -3.995
  678    HB3  TYR  82           2HB      TYR  82  -7.924   0.990  -2.750
  679    HD1  TYR  82           HD1      TYR  82  -8.260   1.494  -6.428
  680    HD2  TYR  82           HD2      TYR  82  -6.181  -0.684  -3.337
  681    HE1  TYR  82           HE1      TYR  82  -6.587   0.718  -8.085
  682    HE2  TYR  82           HE2      TYR  82  -4.521  -1.445  -5.012
  683    HH   TYR  82           HH       TYR  82  -4.222  -1.716  -7.311
  684    H    THR  83           H        THR  83 -10.627   1.934  -4.908
  685    HA   THR  83           HA       THR  83 -11.500   0.319  -7.275
  686    HB   THR  83           HB       THR  83 -12.995   2.624  -5.993
  687    HG1  THR  83           HG1      THR  83 -13.860   1.173  -4.804
  688   HG21  THR  83          3HG2      THR  83 -14.838   1.880  -7.528
  689   HG22  THR  83          1HG2      THR  83 -13.718   0.749  -8.282
  690   HG23  THR  83          2HG2      THR  83 -13.445   2.486  -8.417
  691    H    LEU  84           H        LEU  84 -10.805   1.005  -9.141
  692    HA   LEU  84           HA       LEU  84  -9.564   3.696  -9.367
  693    HB2  LEU  84           1HB      LEU  84  -8.109   1.707  -9.818
  694    HB3  LEU  84           2HB      LEU  84  -9.166   1.252 -11.126
  695    HG   LEU  84           HG       LEU  84  -8.654   3.383 -12.292
  696   HD11  LEU  84          1HD1      LEU  84  -8.129   5.028 -10.701
  697   HD12  LEU  84          2HD1      LEU  84  -6.534   4.676 -11.316
  698   HD13  LEU  84          3HD1      LEU  84  -7.059   3.983  -9.779
  699   HD21  LEU  84          3HD2      LEU  84  -6.195   2.912 -12.766
  700   HD22  LEU  84          1HD2      LEU  84  -7.256   1.506 -12.892
  701   HD23  LEU  84          2HD2      LEU  84  -6.240   1.725 -11.464
  702    H    LYS  85           H        LYS  85 -10.303   5.140 -10.859
  703    HA   LYS  85           HA       LYS  85 -12.291   4.322 -12.911
  704    HB2  LYS  85           1HB      LYS  85 -13.685   6.324 -12.298
  705    HB3  LYS  85           2HB      LYS  85 -13.710   5.021 -11.119
  706    HG2  LYS  85           1HG      LYS  85 -12.281   6.188  -9.585
  707    HG3  LYS  85           2HG      LYS  85 -11.790   7.363 -10.805
  708    HD2  LYS  85           1HD      LYS  85 -13.447   8.325  -9.210
  709    HD3  LYS  85           2HD      LYS  85 -14.036   8.329 -10.866
  710    HE2  LYS  85           1HE      LYS  85 -15.567   6.533 -10.450
  711    HE3  LYS  85           2HE      LYS  85 -14.747   6.045  -8.973
  712    HZ1  LYS  85           3HZ      LYS  85 -15.434   8.089  -7.928
  713    HZ2  LYS  85           1HZ      LYS  85 -16.788   7.266  -8.532
  714    HZ3  LYS  85           2HZ      LYS  85 -16.175   8.615  -9.364
  715    H    ALA  86           H        ALA  86 -12.733   6.053 -14.453
  716    HA   ALA  86           HA       ALA  86 -10.367   7.117 -15.556
  717    HB1  ALA  86           3HB      ALA  86 -11.862   8.089 -17.250
  718    HB2  ALA  86           1HB      ALA  86 -13.254   7.734 -16.225
  719    HB3  ALA  86           2HB      ALA  86 -12.306   6.416 -16.909
  720    H    LYS  87           H        LYS  87  -9.725   9.273 -15.840
  721    HA   LYS  87           HA       LYS  87 -10.059  10.972 -13.600
  722    HB2  LYS  87           1HB      LYS  87  -8.041  10.842 -15.100
  723    HB3  LYS  87           2HB      LYS  87  -8.941  11.702 -16.330
  724    HG2  LYS  87           1HG      LYS  87  -8.856  13.023 -13.585
  725    HG3  LYS  87           2HG      LYS  87  -7.346  13.004 -14.481
  726    HD2  LYS  87           1HD      LYS  87  -8.428  14.120 -16.391
  727    HD3  LYS  87           2HD      LYS  87  -9.972  14.099 -15.556
  728    HE2  LYS  87           1HE      LYS  87  -9.050  15.527 -13.771
  729    HE3  LYS  87           2HE      LYS  87  -7.484  15.536 -14.583
  730    HZ1  LYS  87           3HZ      LYS  87  -8.306  16.770 -16.339
  731    HZ2  LYS  87           1HZ      LYS  87  -9.082  17.468 -15.004
  732    HZ3  LYS  87           2HZ      LYS  87  -9.927  16.383 -16.005
  733    H    GLU  88           H        GLU  88 -11.952  11.913 -13.170
  734    HA   GLU  88           HA       GLU  88 -13.329  13.522 -15.279
  735    HB2  GLU  88           1HB      GLU  88 -14.667  11.659 -13.278
  736    HB3  GLU  88           2HB      GLU  88 -15.511  12.763 -14.367
  737    HG2  GLU  88           1HG      GLU  88 -14.522  11.578 -16.323
  738    HG3  GLU  88           2HG      GLU  88 -13.709  10.462 -15.229
  739    H    ASP  89           H        ASP  89 -12.167  15.274 -14.317
  740    HA   ASP  89           HA       ASP  89 -12.158  16.078 -11.703
  741    HB2  ASP  89           1HB      ASP  89 -11.897  18.402 -12.605
  742    HB3  ASP  89           2HB      ASP  89 -10.827  17.216 -13.341
  743    HA   PRO  90           HA       PRO  90 -16.648  17.098 -11.435
  744    HB2  PRO  90           1HB      PRO  90 -17.059  16.759  -8.811
  745    HB3  PRO  90           2HB      PRO  90 -16.601  15.353  -9.804
  746    HG2  PRO  90           1HG      PRO  90 -14.838  17.050  -8.026
  747    HG3  PRO  90           2HG      PRO  90 -14.928  15.278  -8.135
  748    HD2  PRO  90           1HD      PRO  90 -13.031  16.830  -9.521
  749    HD3  PRO  90           2HD      PRO  90 -13.545  15.209 -10.015
  750    H    LEU  91           H        LEU  91 -14.209  18.474  -9.261
  751    HA   LEU  91           HA       LEU  91 -15.656  20.774  -8.444
  752    HB2  LEU  91           1HB      LEU  91 -13.428  21.617  -7.723
  753    HB3  LEU  91           2HB      LEU  91 -13.740  19.968  -7.197
  754    HG   LEU  91           HG       LEU  91 -12.468  19.522  -9.700
  755   HD11  LEU  91          1HD1      LEU  91 -11.927  21.967  -9.836
  756   HD12  LEU  91          2HD1      LEU  91 -10.494  20.944  -9.797
  757   HD13  LEU  91          3HD1      LEU  91 -10.994  21.823  -8.349
  758   HD21  LEU  91          3HD2      LEU  91 -11.984  18.299  -7.619
  759   HD22  LEU  91          1HD2      LEU  91 -11.148  19.708  -6.966
  760   HD23  LEU  91          2HD2      LEU  91 -10.486  18.855  -8.366
  761    H    GLU  92           H        GLU  92 -13.477  20.205 -11.177
  762    HA   GLU  92           HA       GLU  92 -13.669  23.009 -12.067
  763    HB2  GLU  92           1HB      GLU  92 -11.538  21.706 -12.284
  764    HB3  GLU  92           2HB      GLU  92 -12.322  20.652 -13.454
  765    HG2  GLU  92           1HG      GLU  92 -12.731  22.592 -14.950
  766    HG3  GLU  92           2HG      GLU  92 -11.990  23.667 -13.767
  767    H    HIS  93           H        HIS  93 -15.439  23.632 -13.139
  768    HA   HIS  93           HA       HIS  93 -17.300  23.641 -14.476
  769    HB2  HIS  93           1HB      HIS  93 -15.487  23.473 -16.187
  770    HB3  HIS  93           2HB      HIS  93 -15.626  21.719 -16.150
  771    HD1  HIS  93           HD1      HIS  93 -17.834  24.754 -16.814
  772    HD2  HIS  93           HD2      HIS  93 -17.542  20.743 -17.907
  773    HE1  HIS  93           HE1      HIS  93 -19.655  24.346 -18.523
  774    HE2  HIS  93           HE2      HIS  93 -19.492  21.903 -19.201
  775    H    HIS  94           H        HIS  94 -18.678  22.599 -12.987
  776    HA   HIS  94           HA       HIS  94 -18.981  19.739 -12.834
  777    HB2  HIS  94           1HB      HIS  94 -19.601  21.275 -10.970
  778    HB3  HIS  94           2HB      HIS  94 -20.912  21.926 -11.949
  779    HD1  HIS  94           HD1      HIS  94 -19.761  18.626 -10.444
  780    HD2  HIS  94           HD2      HIS  94 -23.255  20.403 -11.862
  781    HE1  HIS  94           HE1      HIS  94 -21.635  16.991  -9.976
  782    HE2  HIS  94           HE2      HIS  94 -23.774  18.061 -10.835
  783    H    HIS  95           H        HIS  95 -20.681  18.475 -13.628
  784    HA   HIS  95           HA       HIS  95 -22.675  19.530 -15.475
  785    HB2  HIS  95           1HB      HIS  95 -21.877  18.165 -17.402
  786    HB3  HIS  95           2HB      HIS  95 -20.721  19.419 -16.958
  787    HD1  HIS  95           HD1      HIS  95 -18.676  18.599 -15.393
  788    HD2  HIS  95           HD2      HIS  95 -20.827  15.584 -17.302
  789    HE1  HIS  95           HE1      HIS  95 -17.252  16.511 -15.257
  790    HE2  HIS  95           HE2      HIS  95 -18.550  14.662 -16.418
  791    H    HIS  96           H        HIS  96 -24.100  17.843 -16.276
  792    HA   HIS  96           HA       HIS  96 -24.033  15.164 -15.234
  793    HB2  HIS  96           1HB      HIS  96 -26.033  15.444 -13.692
  794    HB3  HIS  96           2HB      HIS  96 -24.565  16.224 -13.106
  795    HD1  HIS  96           HD1      HIS  96 -24.469  18.847 -14.475
  796    HD2  HIS  96           HD2      HIS  96 -28.078  17.229 -13.160
  797    HE1  HIS  96           HE1      HIS  96 -26.072  20.786 -14.234
  798    HE2  HIS  96           HE2      HIS  96 -28.277  19.820 -13.432
  799    H    HIS  97           H        HIS  97 -26.382  17.713 -16.112
  800    HA   HIS  97           HA       HIS  97 -28.205  15.947 -17.433
  801    HB2  HIS  97           1HB      HIS  97 -27.789  18.958 -17.625
  802    HB3  HIS  97           2HB      HIS  97 -29.121  18.117 -18.415
  803    HD1  HIS  97           HD1      HIS  97 -29.708  16.092 -16.073
  804    HD2  HIS  97           HD2      HIS  97 -29.317  20.217 -15.625
  805    HE1  HIS  97           HE1      HIS  97 -30.967  16.704 -13.966
  806    HE2  HIS  97           HE2      HIS  97 -30.741  19.215 -13.676
  807    H    HIS  98           H        HIS  98 -25.507  17.938 -18.576
  808    HA   HIS  98           HA       HIS  98 -24.359  18.009 -20.533
  809    HB2  HIS  98           1HB      HIS  98 -23.987  15.601 -19.935
  810    HB3  HIS  98           2HB      HIS  98 -25.381  15.163 -20.917
  811    HD1  HIS  98           HD1      HIS  98 -24.895  14.684 -23.322
  812    HD2  HIS  98           HD2      HIS  98 -21.921  17.035 -21.592
  813    HE1  HIS  98           HE1      HIS  98 -23.105  14.989 -25.088
  814    HE2  HIS  98           HE2      HIS  98 -21.286  16.423 -24.049
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1  -4.683  14.037  14.277
    2    H2   MET   1           2H       MET   1  -5.494  14.239  15.757
    3    H3   MET   1           3H       MET   1  -6.363  13.822  14.357
    4    HA   MET   1           HA       MET   1  -4.474  12.138  15.895
    5    HB2  MET   1           1HB      MET   1  -7.382  11.829  15.036
    6    HB3  MET   1           2HB      MET   1  -6.459  10.610  15.913
    7    HG2  MET   1           1HG      MET   1  -6.124  12.216  17.788
    8    HG3  MET   1           2HG      MET   1  -7.067  13.417  16.909
    9    HE1  MET   1           3HE      MET   1  -7.157   9.672  18.077
   10    HE2  MET   1           1HE      MET   1  -8.594   9.684  19.106
   11    HE3  MET   1           2HE      MET   1  -7.200  10.676  19.522
   12    H    LYS   2           H        LYS   2  -5.661  12.996  12.781
   13    HA   LYS   2           HA       LYS   2  -4.158  10.755  11.497
   14    HB2  LYS   2           1HB      LYS   2  -6.966  11.692  10.760
   15    HB3  LYS   2           2HB      LYS   2  -5.997  10.556   9.819
   16    HG2  LYS   2           1HG      LYS   2  -5.924   9.006  11.769
   17    HG3  LYS   2           2HG      LYS   2  -6.927  10.129  12.689
   18    HD2  LYS   2           1HD      LYS   2  -8.747   9.882  11.016
   19    HD3  LYS   2           2HD      LYS   2  -7.747   8.752  10.100
   20    HE2  LYS   2           1HE      LYS   2  -7.697   7.212  12.049
   21    HE3  LYS   2           2HE      LYS   2  -8.702   8.342  12.962
   22    HZ1  LYS   2           3HZ      LYS   2 -10.209   6.830  12.091
   23    HZ2  LYS   2           1HZ      LYS   2  -9.418   6.733  10.594
   24    HZ3  LYS   2           2HZ      LYS   2 -10.299   8.127  10.999
   25    H    THR   3           H        THR   3  -3.570  11.178   9.315
   26    HA   THR   3           HA       THR   3  -2.605  12.410   7.669
   27    HB   THR   3           HB       THR   3  -4.434  14.760   8.344
   28    HG1  THR   3           HG1      THR   3  -5.224  12.285   8.121
   29   HG21  THR   3          3HG2      THR   3  -3.663  13.488   5.687
   30   HG22  THR   3          1HG2      THR   3  -2.876  14.909   6.364
   31   HG23  THR   3          2HG2      THR   3  -4.575  14.982   5.894
   32    H    LEU   4           H        LEU   4  -1.865  12.711  10.630
   33    HA   LEU   4           HA       LEU   4  -0.809  15.320  11.053
   34    HB2  LEU   4           1HB      LEU   4   0.144  12.677  12.235
   35    HB3  LEU   4           2HB      LEU   4   0.434  14.283  12.900
   36    HG   LEU   4           HG       LEU   4  -2.298  12.968  12.591
   37   HD11  LEU   4          1HD1      LEU   4  -0.618  13.478  15.077
   38   HD12  LEU   4          2HD1      LEU   4  -0.928  11.901  14.344
   39   HD13  LEU   4          3HD1      LEU   4  -2.249  12.812  15.064
   40   HD21  LEU   4          3HD2      LEU   4  -1.478  15.714  13.659
   41   HD22  LEU   4          1HD2      LEU   4  -2.983  14.941  14.174
   42   HD23  LEU   4          2HD2      LEU   4  -2.733  15.318  12.481
   43    H    TYR   5           H        TYR   5   1.178  12.403  10.660
   44    HA   TYR   5           HA       TYR   5   2.701  13.315   8.436
   45    HB2  TYR   5           1HB      TYR   5   4.857  13.794   9.686
   46    HB3  TYR   5           2HB      TYR   5   3.619  15.016   9.934
   47    HD1  TYR   5           HD1      TYR   5   5.313  12.074  11.493
   48    HD2  TYR   5           HD2      TYR   5   2.554  15.323  12.146
   49    HE1  TYR   5           HE1      TYR   5   5.378  11.656  13.934
   50    HE2  TYR   5           HE2      TYR   5   2.631  14.886  14.583
   51    HH   TYR   5           HH       TYR   5   3.943  13.849  16.219
   52    H    ASP   6           H        ASP   6   1.518  10.959  10.142
   53    HA   ASP   6           HA       ASP   6   3.627   9.131  10.674
   54    HB2  ASP   6           1HB      ASP   6   0.716   8.593   9.962
   55    HB3  ASP   6           2HB      ASP   6   1.824   7.429  10.693
   56    H    LEU   7           H        LEU   7   2.500  10.370   7.766
   57    HA   LEU   7           HA       LEU   7   2.819   9.851   5.574
   58    HB2  LEU   7           1HB      LEU   7   5.212   9.735   6.490
   59    HB3  LEU   7           2HB      LEU   7   5.017   7.993   6.561
   60    HG   LEU   7           HG       LEU   7   4.311   8.275   3.949
   61   HD11  LEU   7          1HD1      LEU   7   6.108  10.702   4.385
   62   HD12  LEU   7          2HD1      LEU   7   4.396  10.766   3.970
   63   HD13  LEU   7          3HD1      LEU   7   5.548  10.089   2.827
   64   HD21  LEU   7          3HD2      LEU   7   7.207   8.435   4.889
   65   HD22  LEU   7          1HD2      LEU   7   6.684   7.915   3.285
   66   HD23  LEU   7          2HD2      LEU   7   6.262   6.958   4.703
   67    HA   PRO   8           HA       PRO   8   0.315   5.894   6.138
   68    HB2  PRO   8           1HB      PRO   8  -1.264   7.407   4.009
   69    HB3  PRO   8           2HB      PRO   8  -1.889   6.438   5.369
   70    HG2  PRO   8           1HG      PRO   8  -1.948   9.057   5.589
   71    HG3  PRO   8           2HG      PRO   8  -1.299   8.115   6.956
   72    HD2  PRO   8           1HD      PRO   8   0.278   9.558   4.784
   73    HD3  PRO   8           2HD      PRO   8   0.499   9.638   6.552
   74    H    ILE   9           H        ILE   9  -0.939   5.120   3.674
   75    HA   ILE   9           HA       ILE   9   1.332   3.926   2.312
   76    HB   ILE   9           HB       ILE   9  -1.656   3.792   1.693
   77   HG12  ILE   9          1HG1      ILE   9   0.127   1.777   3.157
   78   HG13  ILE   9          2HG1      ILE   9  -0.945   2.901   3.979
   79   HG21  ILE   9          1HG2      ILE   9  -0.307   3.172  -0.302
   80   HG22  ILE   9          2HG2      ILE   9  -1.002   1.719   0.393
   81   HG23  ILE   9          3HG2      ILE   9   0.691   2.104   0.685
   82   HD11  ILE   9          3HD1      ILE   9  -2.011   0.711   3.768
   83   HD12  ILE   9          1HD1      ILE   9  -1.827   0.760   2.015
   84   HD13  ILE   9          2HD1      ILE   9  -2.889   1.912   2.823
   85    H    VAL  10           H        VAL  10   2.177   4.506   0.404
   86    HA   VAL  10           HA       VAL  10   1.143   6.942  -0.991
   87    HB   VAL  10           HB       VAL  10   3.950   5.735  -1.078
   88   HG11  VAL  10          1HG1      VAL  10   4.544   7.962  -2.049
   89   HG12  VAL  10          2HG1      VAL  10   2.848   8.430  -2.003
   90   HG13  VAL  10          3HG1      VAL  10   3.374   7.125  -3.064
   91   HG21  VAL  10          3HG2      VAL  10   3.425   6.534   1.207
   92   HG22  VAL  10          1HG2      VAL  10   2.873   8.079   0.552
   93   HG23  VAL  10          2HG2      VAL  10   4.572   7.618   0.430
   94    H    LEU  11           H        LEU  11   0.692   6.850  -3.132
   95    HA   LEU  11           HA       LEU  11   0.633   4.152  -4.352
   96    HB2  LEU  11           1HB      LEU  11  -1.376   5.925  -4.240
   97    HB3  LEU  11           2HB      LEU  11  -0.620   6.574  -5.683
   98    HG   LEU  11           HG       LEU  11  -2.221   5.010  -6.524
   99   HD11  LEU  11          1HD1      LEU  11  -1.026   3.316  -7.649
  100   HD12  LEU  11          2HD1      LEU  11   0.261   3.276  -6.483
  101   HD13  LEU  11          3HD1      LEU  11   0.061   4.672  -7.530
  102   HD21  LEU  11          3HD2      LEU  11  -2.653   3.882  -4.274
  103   HD22  LEU  11          1HD2      LEU  11  -1.311   2.830  -4.641
  104   HD23  LEU  11          2HD2      LEU  11  -2.712   2.832  -5.681
  105    H    ARG  12           H        ARG  12   2.213   3.569  -5.659
  106    HA   ARG  12           HA       ARG  12   3.817   5.610  -7.137
  107    HB2  ARG  12           1HB      ARG  12   5.067   4.187  -5.510
  108    HB3  ARG  12           2HB      ARG  12   4.563   2.759  -6.401
  109    HG2  ARG  12           1HG      ARG  12   5.777   3.497  -8.404
  110    HG3  ARG  12           2HG      ARG  12   6.168   5.038  -7.642
  111    HD2  ARG  12           1HD      ARG  12   7.509   3.846  -5.933
  112    HD3  ARG  12           2HD      ARG  12   7.120   2.306  -6.700
  113    HE   ARG  12           HE       ARG  12   8.216   3.984  -8.666
  114   HH11  ARG  12          1HH2      ARG  12   9.180   2.396  -5.731
  115   HH12  ARG  12          2HH2      ARG  12  10.842   2.261  -6.198
  116   HH21  ARG  12          1HH1      ARG  12  10.387   3.806  -9.266
  117   HH22  ARG  12          2HH1      ARG  12  11.524   3.058  -8.196
  118    H    ASN  13           H        ASN  13   4.402   5.192  -9.279
  119    HA   ASN  13           HA       ASN  13   3.980   4.698 -11.445
  120    HB2  ASN  13           1HB      ASN  13   4.803   2.469 -10.521
  121    HB3  ASN  13           2HB      ASN  13   3.126   1.959 -10.416
  122   HD21  ASN  13          2HD2      ASN  13   5.244   0.818 -12.149
  123   HD22  ASN  13          1HD2      ASN  13   4.703   1.000 -13.748
  124    H    LEU  14           H        LEU  14   1.936   6.081 -10.178
  125    HA   LEU  14           HA       LEU  14  -0.637   4.889 -10.673
  126    HB2  LEU  14           1HB      LEU  14  -0.364   6.603  -8.922
  127    HB3  LEU  14           2HB      LEU  14   0.105   7.777 -10.135
  128    HG   LEU  14           HG       LEU  14  -2.283   7.301 -11.207
  129   HD11  LEU  14          1HD1      LEU  14  -2.911   6.300  -8.432
  130   HD12  LEU  14          2HD1      LEU  14  -2.775   5.253  -9.839
  131   HD13  LEU  14          3HD1      LEU  14  -4.011   6.491  -9.788
  132   HD21  LEU  14          3HD2      LEU  14  -3.385   8.928  -9.755
  133   HD22  LEU  14          1HD2      LEU  14  -1.729   9.414 -10.102
  134   HD23  LEU  14          2HD2      LEU  14  -2.128   8.707  -8.534
  135    HA   PRO  15           HA       PRO  15  -0.428   6.168 -15.097
  136    HB2  PRO  15           1HB      PRO  15  -3.383   5.559 -15.026
  137    HB3  PRO  15           2HB      PRO  15  -2.181   5.037 -16.222
  138    HG2  PRO  15           1HG      PRO  15  -3.056   3.295 -14.380
  139    HG3  PRO  15           2HG      PRO  15  -1.336   3.335 -14.819
  140    HD2  PRO  15           1HD      PRO  15  -2.679   4.503 -12.353
  141    HD3  PRO  15           2HD      PRO  15  -1.143   3.611 -12.509
  142    H    GLU  16           H        GLU  16  -1.090   8.026 -16.269
  143    HA   GLU  16           HA       GLU  16  -1.777  10.309 -14.586
  144    HB2  GLU  16           1HB      GLU  16  -1.308  11.641 -16.627
  145    HB3  GLU  16           2HB      GLU  16  -0.005  10.506 -16.265
  146    HG2  GLU  16           1HG      GLU  16  -0.929   8.915 -17.949
  147    HG3  GLU  16           2HG      GLU  16  -2.204  10.066 -18.337
  148    H    ASP  17           H        ASP  17  -3.539   8.246 -16.722
  149    HA   ASP  17           HA       ASP  17  -5.774  10.173 -17.079
  150    HB2  ASP  17           1HB      ASP  17  -5.289   7.381 -18.182
  151    HB3  ASP  17           2HB      ASP  17  -6.619   8.448 -18.634
  152    H    LEU  18           H        LEU  18  -4.838   7.965 -14.794
  153    HA   LEU  18           HA       LEU  18  -7.661   7.334 -13.967
  154    HB2  LEU  18           1HB      LEU  18  -5.157   5.695 -13.405
  155    HB3  LEU  18           2HB      LEU  18  -6.788   5.289 -12.945
  156    HG   LEU  18           HG       LEU  18  -5.791   5.542 -15.805
  157   HD11  LEU  18          1HD1      LEU  18  -5.559   3.264 -14.009
  158   HD12  LEU  18          2HD1      LEU  18  -5.088   3.412 -15.697
  159   HD13  LEU  18          3HD1      LEU  18  -6.692   2.839 -15.299
  160   HD21  LEU  18          3HD2      LEU  18  -8.062   6.065 -16.018
  161   HD22  LEU  18          1HD2      LEU  18  -8.571   5.026 -14.688
  162   HD23  LEU  18          2HD2      LEU  18  -8.117   4.329 -16.245
  163    H    VAL  19           H        VAL  19  -8.123   7.484 -11.758
  164    HA   VAL  19           HA       VAL  19  -6.046   8.587  -9.938
  165    HB   VAL  19           HB       VAL  19  -7.570  10.367  -9.130
  166   HG11  VAL  19          1HG1      VAL  19  -7.125  10.571 -12.139
  167   HG12  VAL  19          2HG1      VAL  19  -5.885  10.861 -10.917
  168   HG13  VAL  19          3HG1      VAL  19  -7.299  11.906 -11.001
  169   HG21  VAL  19          3HG2      VAL  19  -9.592  10.959 -10.581
  170   HG22  VAL  19          1HG2      VAL  19  -9.768   9.442  -9.700
  171   HG23  VAL  19          2HG2      VAL  19  -9.368   9.420 -11.413
  172    H    LEU  20           H        LEU  20  -6.526   8.421  -7.769
  173    HA   LEU  20           HA       LEU  20  -8.299   6.169  -7.077
  174    HB2  LEU  20           1HB      LEU  20  -5.620   6.839  -6.424
  175    HB3  LEU  20           2HB      LEU  20  -6.471   7.252  -4.946
  176    HG   LEU  20           HG       LEU  20  -6.685   4.539  -6.339
  177   HD11  LEU  20          1HD1      LEU  20  -5.074   5.224  -3.865
  178   HD12  LEU  20          2HD1      LEU  20  -4.404   4.991  -5.477
  179   HD13  LEU  20          3HD1      LEU  20  -5.198   3.659  -4.668
  180   HD21  LEU  20          3HD2      LEU  20  -7.697   5.539  -3.655
  181   HD22  LEU  20          1HD2      LEU  20  -7.620   3.840  -4.087
  182   HD23  LEU  20          2HD2      LEU  20  -8.649   4.928  -4.998
  183    H    GLU  21           H        GLU  21  -9.852   6.343  -5.480
  184    HA   GLU  21           HA       GLU  21 -11.191   8.851  -5.188
  185    HB2  GLU  21           1HB      GLU  21 -11.616   6.364  -3.460
  186    HB3  GLU  21           2HB      GLU  21 -12.791   7.631  -3.831
  187    HG2  GLU  21           1HG      GLU  21 -11.574   5.687  -5.825
  188    HG3  GLU  21           2HG      GLU  21 -13.203   5.594  -5.175
  189    H    LYS  22           H        LYS  22  -9.127   6.954  -3.014
  190    HA   LYS  22           HA       LYS  22  -8.361   9.299  -1.515
  191    HB2  LYS  22           1HB      LYS  22  -9.397   8.604   0.688
  192    HB3  LYS  22           2HB      LYS  22 -10.573   9.069  -0.530
  193    HG2  LYS  22           1HG      LYS  22 -10.985   6.698  -1.078
  194    HG3  LYS  22           2HG      LYS  22  -9.791   6.200   0.121
  195    HD2  LYS  22           1HD      LYS  22 -11.138   7.234   1.921
  196    HD3  LYS  22           2HD      LYS  22 -12.325   7.782   0.734
  197    HE2  LYS  22           1HE      LYS  22 -11.620   4.871   1.282
  198    HE3  LYS  22           2HE      LYS  22 -13.075   5.694   1.850
  199    HZ1  LYS  22           3HZ      LYS  22 -13.918   4.915  -0.067
  200    HZ2  LYS  22           1HZ      LYS  22 -12.399   4.744  -0.804
  201    HZ3  LYS  22           2HZ      LYS  22 -13.146   6.269  -0.745
  202    HA   PRO  23           HA       PRO  23  -4.773   6.830  -0.431
  203    HB2  PRO  23           1HB      PRO  23  -5.336   7.666   2.454
  204    HB3  PRO  23           2HB      PRO  23  -3.760   7.597   1.613
  205    HG2  PRO  23           1HG      PRO  23  -4.921   9.933   1.840
  206    HG3  PRO  23           2HG      PRO  23  -4.326   9.460   0.227
  207    HD2  PRO  23           1HD      PRO  23  -7.186   9.383   1.264
  208    HD3  PRO  23           2HD      PRO  23  -6.572   9.966  -0.297
  209    H    LEU  24           H        LEU  24  -5.905   4.897  -0.969
  210    HA   LEU  24           HA       LEU  24  -7.046   2.829  -0.538
  211    HB2  LEU  24           1HB      LEU  24  -4.616   2.832   1.289
  212    HB3  LEU  24           2HB      LEU  24  -5.390   1.391   0.701
  213    HG   LEU  24           HG       LEU  24  -3.441   1.712  -0.679
  214   HD11  LEU  24          1HD1      LEU  24  -4.285   1.798  -2.890
  215   HD12  LEU  24          2HD1      LEU  24  -5.647   2.801  -2.439
  216   HD13  LEU  24          3HD1      LEU  24  -5.578   1.123  -1.910
  217   HD21  LEU  24          3HD2      LEU  24  -2.634   3.669  -1.609
  218   HD22  LEU  24          1HD2      LEU  24  -3.294   4.298  -0.108
  219   HD23  LEU  24          2HD2      LEU  24  -4.180   4.497  -1.621
  220    HA   PRO  25           HA       PRO  25  -9.670   2.708   3.107
  221    HB2  PRO  25           1HB      PRO  25  -9.888  -0.007   3.756
  222    HB3  PRO  25           2HB      PRO  25 -10.717   0.726   2.358
  223    HG2  PRO  25           1HG      PRO  25  -7.993  -0.614   2.409
  224    HG3  PRO  25           2HG      PRO  25  -9.388  -0.994   1.370
  225    HD2  PRO  25           1HD      PRO  25  -7.518   0.574   0.348
  226    HD3  PRO  25           2HD      PRO  25  -9.196   1.113   0.182
  227    H    GLU  26           H        GLU  26  -6.505   1.304   3.277
  228    HA   GLU  26           HA       GLU  26  -4.909   1.274   4.869
  229    HB2  GLU  26           1HB      GLU  26  -5.777   3.553   5.548
  230    HB3  GLU  26           2HB      GLU  26  -6.807   2.775   6.741
  231    HG2  GLU  26           1HG      GLU  26  -4.811   1.809   7.854
  232    HG3  GLU  26           2HG      GLU  26  -3.777   2.573   6.651
  233    H    VAL  27           H        VAL  27  -4.296  -0.385   6.150
  234    HA   VAL  27           HA       VAL  27  -6.230  -1.851   7.845
  235    HB   VAL  27           HB       VAL  27  -5.214  -4.017   6.777
  236   HG11  VAL  27          1HG1      VAL  27  -7.550  -3.331   6.370
  237   HG12  VAL  27          2HG1      VAL  27  -6.845  -4.004   4.900
  238   HG13  VAL  27          3HG1      VAL  27  -7.026  -2.257   5.075
  239   HG21  VAL  27          3HG2      VAL  27  -4.394  -3.752   4.428
  240   HG22  VAL  27          1HG2      VAL  27  -3.347  -2.906   5.565
  241   HG23  VAL  27          2HG2      VAL  27  -4.502  -2.014   4.575
  242    H    SER  28           H        SER  28  -5.122  -3.481   9.183
  243    HA   SER  28           HA       SER  28  -2.726  -2.305  10.430
  244    HB2  SER  28           1HB      SER  28  -4.506  -4.626  11.261
  245    HB3  SER  28           2HB      SER  28  -3.202  -3.942  12.231
  246    HG   SER  28           HG       SER  28  -5.722  -2.969  11.680
  247    H    VAL  29           H        VAL  29  -0.763  -3.324  10.629
  248    HA   VAL  29           HA       VAL  29  -0.214  -5.749   8.947
  249    HB   VAL  29           HB       VAL  29   2.085  -4.898   8.744
  250   HG11  VAL  29          1HG1      VAL  29   1.631  -2.697   7.533
  251   HG12  VAL  29          2HG1      VAL  29  -0.030  -2.786   8.114
  252   HG13  VAL  29          3HG1      VAL  29   0.599  -4.028   7.040
  253   HG21  VAL  29          3HG2      VAL  29   2.510  -3.814  10.878
  254   HG22  VAL  29          1HG2      VAL  29   1.168  -2.686  10.648
  255   HG23  VAL  29          2HG2      VAL  29   2.626  -2.545   9.667
  256    H    THR  30           H        THR  30   0.758  -7.525   9.958
  257    HA   THR  30           HA       THR  30   1.486  -7.245  12.866
  258    HB   THR  30           HB       THR  30   0.604  -9.822  11.477
  259    HG1  THR  30           HG1      THR  30  -1.356  -9.133  11.655
  260   HG21  THR  30          3HG2      THR  30   0.664  -8.981  14.409
  261   HG22  THR  30          1HG2      THR  30   1.853 -10.030  13.639
  262   HG23  THR  30          2HG2      THR  30   0.178 -10.558  13.796
  263    H    ILE  31           H        ILE  31   3.623  -7.381  13.176
  264    HA   ILE  31           HA       ILE  31   5.284  -9.202  11.526
  265    HB   ILE  31           HB       ILE  31   5.906  -6.367  12.401
  266   HG12  ILE  31          1HG1      ILE  31   4.504  -6.494  10.366
  267   HG13  ILE  31          2HG1      ILE  31   6.111  -5.907   9.980
  268   HG21  ILE  31          1HG2      ILE  31   8.079  -6.722  11.135
  269   HG22  ILE  31          2HG2      ILE  31   7.697  -8.443  11.096
  270   HG23  ILE  31          3HG2      ILE  31   7.974  -7.637  12.640
  271   HD11  ILE  31          3HD1      ILE  31   5.913  -7.406   8.261
  272   HD12  ILE  31          1HD1      ILE  31   4.751  -8.408   9.108
  273   HD13  ILE  31          2HD1      ILE  31   6.472  -8.583   9.441
  274    H    ARG  32           H        ARG  32   7.153  -9.987  12.600
  275    HA   ARG  32           HA       ARG  32   7.149  -9.854  15.594
  276    HB2  ARG  32           1HB      ARG  32   7.618 -12.292  15.649
  277    HB3  ARG  32           2HB      ARG  32   6.037 -11.945  14.948
  278    HG2  ARG  32           1HG      ARG  32   7.016 -12.209  12.658
  279    HG3  ARG  32           2HG      ARG  32   8.563 -12.599  13.377
  280    HD2  ARG  32           1HD      ARG  32   6.036 -14.194  13.850
  281    HD3  ARG  32           2HD      ARG  32   7.314 -14.641  12.724
  282    HE   ARG  32           HE       ARG  32   7.354 -14.961  15.583
  283   HH11  ARG  32          1HH2      ARG  32   9.349 -14.402  12.780
  284   HH12  ARG  32          2HH2      ARG  32  10.800 -14.964  13.542
  285   HH21  ARG  32          1HH1      ARG  32   9.261 -15.689  16.561
  286   HH22  ARG  32          2HH1      ARG  32  10.748 -15.689  15.673
  287    H    ALA  33           H        ALA  33   9.079  -9.375  16.407
  288    HA   ALA  33           HA       ALA  33  11.558 -10.326  15.346
  289    HB1  ALA  33           3HB      ALA  33  12.180  -8.634  13.916
  290    HB2  ALA  33           1HB      ALA  33  11.844  -7.402  15.131
  291    HB3  ALA  33           2HB      ALA  33  10.565  -7.960  14.068
  292    H    TYR  34           H        TYR  34  13.426  -8.957  16.422
  293    HA   TYR  34           HA       TYR  34  13.133  -9.343  19.224
  294    HB2  TYR  34           1HB      TYR  34  15.317  -8.016  17.565
  295    HB3  TYR  34           2HB      TYR  34  15.476  -8.309  19.284
  296    HD1  TYR  34           HD1      TYR  34  15.278  -9.912  15.936
  297    HD2  TYR  34           HD2      TYR  34  15.714 -10.627  20.170
  298    HE1  TYR  34           HE1      TYR  34  15.990 -12.245  15.483
  299    HE2  TYR  34           HE2      TYR  34  16.423 -12.955  19.693
  300    HH   TYR  34           HH       TYR  34  15.871 -14.595  17.288
  301    HA   PRO  35           HA       PRO  35  11.617  -5.265  20.341
  302    HB2  PRO  35           1HB      PRO  35  12.397  -4.990  22.953
  303    HB3  PRO  35           2HB      PRO  35  11.194  -6.211  22.457
  304    HG2  PRO  35           1HG      PRO  35  14.171  -6.591  22.827
  305    HG3  PRO  35           2HG      PRO  35  12.840  -7.529  23.543
  306    HD2  PRO  35           1HD      PRO  35  14.084  -8.425  21.319
  307    HD3  PRO  35           2HD      PRO  35  12.322  -8.607  21.482
  308    H    GLU  36           H        GLU  36  15.019  -5.964  20.711
  309    HA   GLU  36           HA       GLU  36  15.988  -3.349  21.270
  310    HB2  GLU  36           1HB      GLU  36  18.177  -4.267  20.907
  311    HB3  GLU  36           2HB      GLU  36  17.196  -5.610  21.484
  312    HG2  GLU  36           1HG      GLU  36  16.834  -6.250  19.006
  313    HG3  GLU  36           2HG      GLU  36  18.087  -5.074  18.626
  314    H    ILE  37           H        ILE  37  15.453  -5.034  18.187
  315    HA   ILE  37           HA       ILE  37  16.376  -2.696  16.631
  316    HB   ILE  37           HB       ILE  37  15.872  -3.966  14.611
  317   HG12  ILE  37          1HG1      ILE  37  14.575  -5.980  16.499
  318   HG13  ILE  37          2HG1      ILE  37  13.800  -5.115  15.189
  319   HG21  ILE  37          1HG2      ILE  37  17.564  -5.674  14.852
  320   HG22  ILE  37          2HG2      ILE  37  17.204  -5.908  16.555
  321   HG23  ILE  37          3HG2      ILE  37  18.007  -4.431  16.021
  322   HD11  ILE  37          3HD1      ILE  37  15.444  -6.346  13.606
  323   HD12  ILE  37          1HD1      ILE  37  14.180  -7.311  14.357
  324   HD13  ILE  37          2HD1      ILE  37  15.808  -7.380  14.995
  325    H    LEU  38           H        LEU  38  13.337  -4.057  17.711
  326    HA   LEU  38           HA       LEU  38  11.682  -2.380  16.013
  327    HB2  LEU  38           1HB      LEU  38  11.052  -4.000  18.462
  328    HB3  LEU  38           2HB      LEU  38   9.814  -3.090  17.637
  329    HG   LEU  38           HG       LEU  38  11.506  -5.210  16.214
  330   HD11  LEU  38          1HD1      LEU  38  10.294  -6.310  18.058
  331   HD12  LEU  38          2HD1      LEU  38   9.595  -6.772  16.510
  332   HD13  LEU  38          3HD1      LEU  38   8.782  -5.577  17.523
  333   HD21  LEU  38          3HD2      LEU  38  10.367  -3.707  14.638
  334   HD22  LEU  38          1HD2      LEU  38   8.848  -3.863  15.511
  335   HD23  LEU  38          2HD2      LEU  38   9.514  -5.233  14.625
  336    H    ASN  39           H        ASN  39  13.079  -2.086  19.202
  337    HA   ASN  39           HA       ASN  39  11.575   0.281  19.952
  338    HB2  ASN  39           1HB      ASN  39  14.098  -1.007  21.076
  339    HB3  ASN  39           2HB      ASN  39  13.374   0.439  21.775
  340   HD21  ASN  39          2HD2      ASN  39  13.573  -1.882  23.344
  341   HD22  ASN  39          1HD2      ASN  39  12.026  -2.526  23.603
  342    H    ASN  40           H        ASN  40  14.251  -0.350  17.916
  343    HA   ASN  40           HA       ASN  40  15.246   2.444  18.006
  344    HB2  ASN  40           1HB      ASN  40  16.873   0.550  18.182
  345    HB3  ASN  40           2HB      ASN  40  16.377  -0.009  16.591
  346   HD21  ASN  40          2HD2      ASN  40  19.071   0.728  17.011
  347   HD22  ASN  40          1HD2      ASN  40  19.400   2.170  16.180
  348    H    LEU  41           H        LEU  41  13.677   0.074  15.912
  349    HA   LEU  41           HA       LEU  41  13.924   1.456  13.483
  350    HB2  LEU  41           1HB      LEU  41  12.635  -0.952  14.298
  351    HB3  LEU  41           2HB      LEU  41  11.325  -0.024  13.639
  352    HG   LEU  41           HG       LEU  41  13.928  -0.683  12.189
  353   HD11  LEU  41          1HD1      LEU  41  12.492  -2.672  12.511
  354   HD12  LEU  41          2HD1      LEU  41  12.506  -2.192  10.816
  355   HD13  LEU  41          3HD1      LEU  41  11.116  -1.800  11.832
  356   HD21  LEU  41          3HD2      LEU  41  11.398   0.751  11.269
  357   HD22  LEU  41          1HD2      LEU  41  12.664   0.192  10.172
  358   HD23  LEU  41          2HD2      LEU  41  13.014   1.423  11.364
  359    H    THR  42           H        THR  42  12.631   2.952  12.459
  360    HA   THR  42           HA       THR  42  10.450   4.234  14.071
  361    HB   THR  42           HB       THR  42  12.336   5.719  14.215
  362    HG1  THR  42           HG1      THR  42  11.375   7.464  13.377
  363   HG21  THR  42          3HG2      THR  42  13.475   6.569  12.166
  364   HG22  THR  42          1HG2      THR  42  12.569   5.412  11.203
  365   HG23  THR  42          2HG2      THR  42  13.734   4.839  12.396
  366    H    LYS  43           H        LYS  43   8.737   5.000  12.968
  367    HA   LYS  43           HA       LYS  43   7.810   3.527  10.796
  368    HB2  LYS  43           1HB      LYS  43   5.984   5.204  10.683
  369    HB3  LYS  43           2HB      LYS  43   6.352   4.734  12.346
  370    HG2  LYS  43           1HG      LYS  43   7.817   6.808  12.546
  371    HG3  LYS  43           2HG      LYS  43   7.256   7.295  10.944
  372    HD2  LYS  43           1HD      LYS  43   4.911   7.288  11.769
  373    HD3  LYS  43           2HD      LYS  43   5.493   6.822  13.370
  374    HE2  LYS  43           1HE      LYS  43   6.230   9.394  11.915
  375    HE3  LYS  43           2HE      LYS  43   5.092   9.266  13.257
  376    HZ1  LYS  43           3HZ      LYS  43   7.238   8.031  14.262
  377    HZ2  LYS  43           1HZ      LYS  43   6.899   9.677  14.483
  378    HZ3  LYS  43           2HZ      LYS  43   7.984   9.192  13.270
  379    H    GLU  44           H        GLU  44   9.442   6.687  10.711
  380    HA   GLU  44           HA       GLU  44   9.014   7.279   7.983
  381    HB2  GLU  44           1HB      GLU  44  11.004   8.771   8.133
  382    HB3  GLU  44           2HB      GLU  44   9.922   8.969   9.513
  383    HG2  GLU  44           1HG      GLU  44  11.368   7.490  10.854
  384    HG3  GLU  44           2HG      GLU  44  12.469   7.293   9.507
  385    H    GLN  45           H        GLN  45  11.055   4.891   9.403
  386    HA   GLN  45           HA       GLN  45  12.863   4.593   7.160
  387    HB2  GLN  45           1HB      GLN  45  13.487   3.960   9.477
  388    HB3  GLN  45           2HB      GLN  45  12.304   2.665   9.427
  389    HG2  GLN  45           1HG      GLN  45  13.518   1.568   7.584
  390    HG3  GLN  45           2HG      GLN  45  14.657   2.911   7.512
  391   HE21  GLN  45          2HE2      GLN  45  15.152   0.012   8.152
  392   HE22  GLN  45          1HE2      GLN  45  15.901   0.015   9.675
  393    H    ILE  46           H        ILE  46   9.900   2.969   8.259
  394    HA   ILE  46           HA       ILE  46   9.967   0.841   6.407
  395    HB   ILE  46           HB       ILE  46   7.450   2.108   7.601
  396   HG12  ILE  46          1HG1      ILE  46   9.015   1.800   9.464
  397   HG13  ILE  46          2HG1      ILE  46   7.785   0.552   9.548
  398   HG21  ILE  46          1HG2      ILE  46   8.116  -0.772   6.843
  399   HG22  ILE  46          2HG2      ILE  46   7.118   0.323   5.916
  400   HG23  ILE  46          3HG2      ILE  46   6.576  -0.207   7.496
  401   HD11  ILE  46          3HD1      ILE  46   9.804  -0.570   9.984
  402   HD12  ILE  46          1HD1      ILE  46  10.675   0.292   8.724
  403   HD13  ILE  46          2HD1      ILE  46   9.508  -0.960   8.296
  404    H    SER  47           H        SER  47   9.565   0.818   4.277
  405    HA   SER  47           HA       SER  47   8.323   3.181   2.929
  406    HB2  SER  47           1HB      SER  47  10.695   2.682   2.362
  407    HB3  SER  47           2HB      SER  47  10.205   1.098   1.785
  408    HG   SER  47           HG       SER  47   9.937   3.567   0.642
  409    H    LEU  48           H        LEU  48   6.213   2.697   2.719
  410    HA   LEU  48           HA       LEU  48   5.386   0.048   1.577
  411    HB2  LEU  48           1HB      LEU  48   3.984   1.993   3.448
  412    HB3  LEU  48           2HB      LEU  48   3.125   0.664   2.670
  413    HG   LEU  48           HG       LEU  48   5.654   0.017   4.215
  414   HD11  LEU  48          1HD1      LEU  48   2.960   0.452   5.549
  415   HD12  LEU  48          2HD1      LEU  48   4.411   1.422   5.812
  416   HD13  LEU  48          3HD1      LEU  48   4.377  -0.262   6.325
  417   HD21  LEU  48          3HD2      LEU  48   3.045  -1.506   3.927
  418   HD22  LEU  48          1HD2      LEU  48   4.548  -2.109   4.626
  419   HD23  LEU  48          2HD2      LEU  48   4.462  -1.743   2.909
  420    H    TRP  49           H        TRP  49   4.337   0.053  -0.290
  421    HA   TRP  49           HA       TRP  49   2.749   2.240  -1.213
  422    HB2  TRP  49           1HB      TRP  49   4.048   2.905  -3.146
  423    HB3  TRP  49           2HB      TRP  49   5.148   2.947  -1.770
  424    HD1  TRP  49           HD1      TRP  49   4.340   0.872  -4.887
  425    HE1  TRP  49           HE1      TRP  49   6.342  -0.637  -5.434
  426    HE3  TRP  49           HE3      TRP  49   7.217   1.705  -0.755
  427    HZ2  TRP  49           HZ2      TRP  49   8.826  -1.417  -4.271
  428    HZ3  TRP  49           HZ3      TRP  49   9.396   0.543  -0.499
  429    HH2  TRP  49           HH2      TRP  49  10.204  -1.012  -2.250
  430    H    ILE  50           H        ILE  50   2.283   1.704  -3.714
  431    HA   ILE  50           HA       ILE  50   1.940  -1.232  -4.078
  432    HB   ILE  50           HB       ILE  50  -0.378   0.728  -4.343
  433   HG12  ILE  50          1HG1      ILE  50   0.107  -1.278  -2.098
  434   HG13  ILE  50          2HG1      ILE  50   0.251   0.462  -1.931
  435   HG21  ILE  50          1HG2      ILE  50  -0.525  -1.266  -5.816
  436   HG22  ILE  50          2HG2      ILE  50  -1.747  -1.309  -4.576
  437   HG23  ILE  50          3HG2      ILE  50  -0.308  -2.304  -4.411
  438   HD11  ILE  50          3HD1      ILE  50  -2.296  -1.043  -2.545
  439   HD12  ILE  50          1HD1      ILE  50  -2.124   0.717  -2.561
  440   HD13  ILE  50          2HD1      ILE  50  -1.882  -0.179  -1.063
  441    H    ASP  51           H        ASP  51   1.659  -1.845  -6.206
  442    HA   ASP  51           HA       ASP  51   2.553   0.102  -8.270
  443    HB2  ASP  51           1HB      ASP  51   2.440  -2.940  -8.215
  444    HB3  ASP  51           2HB      ASP  51   3.095  -1.969  -9.527
  445    H    ALA  52           H        ALA  52   0.757   1.104  -9.099
  446    HA   ALA  52           HA       ALA  52  -1.773  -0.272  -9.544
  447    HB1  ALA  52           3HB      ALA  52  -0.712   2.523  -9.961
  448    HB2  ALA  52           1HB      ALA  52  -2.202   2.000  -9.171
  449    HB3  ALA  52           2HB      ALA  52  -2.121   2.039 -10.920
  450    H    THR  53           H        THR  53   1.151  -0.032 -11.261
  451    HA   THR  53           HA       THR  53   0.207  -0.105 -13.945
  452    HB   THR  53           HB       THR  53   2.561   0.230 -13.798
  453    HG1  THR  53           HG1      THR  53   2.382  -2.539 -14.314
  454   HG21  THR  53          3HG2      THR  53   4.070  -1.344 -12.571
  455   HG22  THR  53          1HG2      THR  53   2.653  -2.199 -11.965
  456   HG23  THR  53          2HG2      THR  53   2.942  -0.518 -11.501
  457    H    GLY  54           H        GLY  54   0.289  -2.006 -15.373
  458    HA2  GLY  54           1HA      GLY  54  -0.369  -4.118 -15.999
  459    HA3  GLY  54           2HA      GLY  54  -0.043  -4.670 -14.359
  460    H    LYS  55           H        LYS  55  -1.786  -3.093 -12.889
  461    HA   LYS  55           HA       LYS  55  -4.257  -4.469 -13.168
  462    HB2  LYS  55           1HB      LYS  55  -3.454  -2.027 -11.545
  463    HB3  LYS  55           2HB      LYS  55  -5.092  -2.649 -11.489
  464    HG2  LYS  55           1HG      LYS  55  -3.939  -3.610  -9.598
  465    HG3  LYS  55           2HG      LYS  55  -4.105  -4.908 -10.776
  466    HD2  LYS  55           1HD      LYS  55  -1.751  -4.569 -11.493
  467    HD3  LYS  55           2HD      LYS  55  -1.598  -3.214 -10.381
  468    HE2  LYS  55           1HE      LYS  55  -1.983  -4.734  -8.470
  469    HE3  LYS  55           2HE      LYS  55  -2.208  -6.092  -9.577
  470    HZ1  LYS  55           3HZ      LYS  55   0.267  -4.465  -9.408
  471    HZ2  LYS  55           1HZ      LYS  55   0.033  -5.869 -10.331
  472    HZ3  LYS  55           2HZ      LYS  55   0.048  -5.961  -8.633
  473    H    ALA  56           H        ALA  56  -6.386  -3.217 -13.258
  474    HA   ALA  56           HA       ALA  56  -6.440  -1.104 -15.347
  475    HB1  ALA  56           3HB      ALA  56  -8.057  -3.694 -15.394
  476    HB2  ALA  56           1HB      ALA  56  -6.732  -3.296 -16.489
  477    HB3  ALA  56           2HB      ALA  56  -8.221  -2.353 -16.531
  478    H    VAL  57           H        VAL  57  -8.893  -0.563 -15.634
  479    HA   VAL  57           HA       VAL  57  -9.711   0.685 -13.251
  480    HB   VAL  57           HB       VAL  57 -11.318   0.157 -15.782
  481   HG11  VAL  57          1HG1      VAL  57 -11.671   2.259 -13.599
  482   HG12  VAL  57          2HG1      VAL  57 -12.773   0.932 -13.941
  483   HG13  VAL  57          3HG1      VAL  57 -12.574   2.231 -15.110
  484   HG21  VAL  57          3HG2      VAL  57  -9.171   1.295 -16.280
  485   HG22  VAL  57          1HG2      VAL  57  -9.526   2.514 -15.061
  486   HG23  VAL  57          2HG2      VAL  57 -10.520   2.404 -16.508
  487    H    GLY  58           H        GLY  58 -11.226   0.217 -11.775
  488    HA2  GLY  58           1HA      GLY  58 -13.287  -1.019 -11.171
  489    HA3  GLY  58           2HA      GLY  58 -12.533  -2.471 -11.797
  490    H    GLU  59           H        GLU  59 -13.267  -2.950  -9.450
  491    HA   GLU  59           HA       GLU  59 -11.153  -2.231  -7.503
  492    HB2  GLU  59           1HB      GLU  59 -12.798  -3.095  -5.800
  493    HB3  GLU  59           2HB      GLU  59 -13.379  -1.701  -6.715
  494    HG2  GLU  59           1HG      GLU  59 -14.668  -3.222  -8.209
  495    HG3  GLU  59           2HG      GLU  59 -14.113  -4.606  -7.278
  496    H    HIS  60           H        HIS  60  -9.676  -3.599  -6.920
  497    HA   HIS  60           HA       HIS  60 -10.119  -6.506  -6.961
  498    HB2  HIS  60           1HB      HIS  60  -7.809  -5.152  -8.425
  499    HB3  HIS  60           2HB      HIS  60  -8.059  -6.893  -8.262
  500    HD1  HIS  60           HD1      HIS  60 -10.470  -7.749  -9.297
  501    HD2  HIS  60           HD2      HIS  60  -9.043  -4.073 -10.654
  502    HE1  HIS  60           HE1      HIS  60 -11.742  -7.227 -11.423
  503    HE2  HIS  60           HE2      HIS  60 -10.883  -4.990 -12.265
  504    H    THR  61           H        THR  61  -8.580  -7.661  -5.770
  505    HA   THR  61           HA       THR  61  -7.521  -6.215  -3.456
  506    HB   THR  61           HB       THR  61  -7.516  -9.202  -4.083
  507    HG1  THR  61           HG1      THR  61  -9.585  -8.015  -3.915
  508   HG21  THR  61          3HG2      THR  61  -7.152  -7.658  -1.483
  509   HG22  THR  61          1HG2      THR  61  -5.893  -8.575  -2.310
  510   HG23  THR  61          2HG2      THR  61  -7.273  -9.410  -1.602
  511    H    VAL  62           H        VAL  62  -5.333  -5.966  -3.019
  512    HA   VAL  62           HA       VAL  62  -3.315  -7.195  -4.850
  513    HB   VAL  62           HB       VAL  62  -2.189  -5.009  -5.162
  514   HG11  VAL  62          1HG1      VAL  62  -3.754  -4.052  -6.791
  515   HG12  VAL  62          2HG1      VAL  62  -5.108  -4.897  -6.047
  516   HG13  VAL  62          3HG1      VAL  62  -3.838  -5.812  -6.860
  517   HG21  VAL  62          3HG2      VAL  62  -2.917  -3.787  -3.184
  518   HG22  VAL  62          1HG2      VAL  62  -4.612  -3.905  -3.655
  519   HG23  VAL  62          2HG2      VAL  62  -3.502  -2.909  -4.582
  520    H    LYS  63           H        LYS  63  -1.274  -7.365  -4.046
  521    HA   LYS  63           HA       LYS  63  -1.037  -7.306  -1.087
  522    HB2  LYS  63           1HB      LYS  63   0.595  -8.675  -3.259
  523    HB3  LYS  63           2HB      LYS  63   0.918  -8.802  -1.531
  524    HG2  LYS  63           1HG      LYS  63  -1.324  -9.763  -1.143
  525    HG3  LYS  63           2HG      LYS  63  -1.706  -9.630  -2.859
  526    HD2  LYS  63           1HD      LYS  63   0.798 -11.215  -2.116
  527    HD3  LYS  63           2HD      LYS  63  -0.758 -11.966  -1.768
  528    HE2  LYS  63           1HE      LYS  63   0.161 -12.581  -4.038
  529    HE3  LYS  63           2HE      LYS  63  -1.431 -11.825  -4.111
  530    HZ1  LYS  63           3HZ      LYS  63   0.273 -10.989  -5.733
  531    HZ2  LYS  63           1HZ      LYS  63   1.078 -10.287  -4.417
  532    HZ3  LYS  63           2HZ      LYS  63  -0.503  -9.800  -4.799
  533    H    ILE  64           H        ILE  64   0.617  -6.300  -0.063
  534    HA   ILE  64           HA       ILE  64   1.942  -4.054  -1.476
  535    HB   ILE  64           HB       ILE  64   2.126  -4.629   1.536
  536   HG12  ILE  64          1HG1      ILE  64   0.102  -3.008   1.726
  537   HG13  ILE  64          2HG1      ILE  64  -0.194  -3.317   0.023
  538   HG21  ILE  64          1HG2      ILE  64   2.390  -2.187   1.668
  539   HG22  ILE  64          2HG2      ILE  64   2.142  -2.046  -0.056
  540   HG23  ILE  64          3HG2      ILE  64   3.582  -2.858   0.552
  541   HD11  ILE  64          3HD1      ILE  64  -1.227  -5.292   0.495
  542   HD12  ILE  64          1HD1      ILE  64  -1.231  -4.719   2.158
  543   HD13  ILE  64          2HD1      ILE  64   0.029  -5.821   1.628
  544    H    TYR  65           H        TYR  65   4.183  -3.906  -1.666
  545    HA   TYR  65           HA       TYR  65   5.720  -6.399  -1.451
  546    HB2  TYR  65           1HB      TYR  65   6.468  -3.628  -2.476
  547    HB3  TYR  65           2HB      TYR  65   7.523  -5.040  -2.567
  548    HD1  TYR  65           HD1      TYR  65   6.974  -6.951  -4.080
  549    HD2  TYR  65           HD2      TYR  65   4.455  -3.452  -3.946
  550    HE1  TYR  65           HE1      TYR  65   5.860  -7.662  -6.174
  551    HE2  TYR  65           HE2      TYR  65   3.353  -4.181  -6.041
  552    HH   TYR  65           HH       TYR  65   4.522  -6.949  -7.881
  553    H    TRP  66           H        TRP  66   5.779  -3.140  -0.059
  554    HA   TRP  66           HA       TRP  66   6.899  -2.200   1.693
  555    HB2  TRP  66           1HB      TRP  66   6.661  -3.335   3.793
  556    HB3  TRP  66           2HB      TRP  66   5.381  -4.008   2.792
  557    HD1  TRP  66           HD1      TRP  66   8.959  -4.899   3.954
  558    HE1  TRP  66           HE1      TRP  66   9.164  -7.465   4.032
  559    HE3  TRP  66           HE3      TRP  66   4.361  -6.199   2.171
  560    HZ2  TRP  66           HZ2      TRP  66   7.587  -9.756   3.425
  561    HZ3  TRP  66           HZ3      TRP  66   3.729  -8.591   1.935
  562    HH2  TRP  66           HH2      TRP  66   5.337 -10.374   2.569
  563    H    GLN  67           H        GLN  67   8.985  -1.779   2.505
  564    HA   GLN  67           HA       GLN  67  11.151  -3.747   1.986
  565    HB2  GLN  67           1HB      GLN  67  10.794  -1.957   0.067
  566    HB3  GLN  67           2HB      GLN  67  11.561  -0.835   1.175
  567    HG2  GLN  67           1HG      GLN  67  12.772  -3.439   0.152
  568    HG3  GLN  67           2HG      GLN  67  13.231  -1.819  -0.360
  569   HE21  GLN  67          2HE2      GLN  67  14.447  -4.212   1.466
  570   HE22  GLN  67          1HE2      GLN  67  15.202  -3.318   2.695
  571    H    LEU  68           H        LEU  68  12.419  -3.937   3.661
  572    HA   LEU  68           HA       LEU  68  13.234  -1.721   5.339
  573    HB2  LEU  68           1HB      LEU  68  12.158  -2.668   7.442
  574    HB3  LEU  68           2HB      LEU  68  11.039  -2.010   6.276
  575    HG   LEU  68           HG       LEU  68  10.991  -4.657   5.459
  576   HD11  LEU  68          1HD1      LEU  68  11.472  -4.822   8.461
  577   HD12  LEU  68          2HD1      LEU  68  12.587  -5.389   7.220
  578   HD13  LEU  68          3HD1      LEU  68  11.013  -6.152   7.397
  579   HD21  LEU  68          3HD2      LEU  68   8.920  -4.928   6.825
  580   HD22  LEU  68          1HD2      LEU  68   8.983  -3.345   6.045
  581   HD23  LEU  68          2HD2      LEU  68   9.364  -3.501   7.762
  582    HA   PRO  69           HA       PRO  69  17.035  -3.850   6.158
  583    HB2  PRO  69           1HB      PRO  69  15.872  -4.237   8.953
  584    HB3  PRO  69           2HB      PRO  69  17.572  -3.925   8.508
  585    HG2  PRO  69           1HG      PRO  69  15.965  -1.912   9.271
  586    HG3  PRO  69           2HG      PRO  69  17.147  -1.674   7.966
  587    HD2  PRO  69           1HD      PRO  69  14.191  -1.753   7.743
  588    HD3  PRO  69           2HD      PRO  69  15.358  -1.186   6.549
  589    H    ALA  70           H        ALA  70  17.153  -5.812   5.100
  590    HA   ALA  70           HA       ALA  70  15.373  -7.983   5.434
  591    HB1  ALA  70           3HB      ALA  70  17.002  -9.263   4.108
  592    HB2  ALA  70           1HB      ALA  70  18.212  -8.003   4.368
  593    HB3  ALA  70           2HB      ALA  70  16.767  -7.656   3.421
  594    H    GLY  71           H        GLY  71  15.321  -8.058   7.783
  595    HA2  GLY  71           1HA      GLY  71  17.160 -10.087   8.868
  596    HA3  GLY  71           2HA      GLY  71  17.050  -8.542   9.715
  597    H    ILE  72           H        ILE  72  14.166  -8.289   8.915
  598    HA   ILE  72           HA       ILE  72  13.018  -9.879  11.112
  599    HB   ILE  72           HB       ILE  72  11.787  -7.633   9.441
  600   HG12  ILE  72          1HG1      ILE  72  12.253  -6.280  11.652
  601   HG13  ILE  72          2HG1      ILE  72  13.384  -7.555  12.051
  602   HG21  ILE  72          1HG2      ILE  72   9.986  -8.790  10.450
  603   HG22  ILE  72          2HG2      ILE  72  10.310  -7.508  11.603
  604   HG23  ILE  72          3HG2      ILE  72  10.866  -9.135  11.926
  605   HD11  ILE  72          3HD1      ILE  72  14.921  -6.862  10.441
  606   HD12  ILE  72          1HD1      ILE  72  14.146  -5.331  10.805
  607   HD13  ILE  72          2HD1      ILE  72  13.682  -6.213   9.367
  608    H    GLU  73           H        GLU  73  10.894 -10.882  10.800
  609    HA   GLU  73           HA       GLU  73  10.645 -12.278   8.163
  610    HB2  GLU  73           1HB      GLU  73   9.621 -13.029  10.933
  611    HB3  GLU  73           2HB      GLU  73   9.378 -13.978   9.464
  612    HG2  GLU  73           1HG      GLU  73  11.837 -14.217   9.208
  613    HG3  GLU  73           2HG      GLU  73  12.080 -13.288  10.685
  614    H    MET  74           H        MET  74   8.413 -12.847   7.518
  615    HA   MET  74           HA       MET  74   6.469 -10.616   8.000
  616    HB2  MET  74           1HB      MET  74   5.552 -11.458   5.696
  617    HB3  MET  74           2HB      MET  74   7.043 -10.526   5.691
  618    HG2  MET  74           1HG      MET  74   8.398 -12.540   5.461
  619    HG3  MET  74           2HG      MET  74   6.996 -13.578   5.670
  620    HE1  MET  74           3HE      MET  74   5.104 -13.493   2.403
  621    HE2  MET  74           1HE      MET  74   4.779 -13.178   4.111
  622    HE3  MET  74           2HE      MET  74   5.745 -14.571   3.637
  623    H    VAL  75           H        VAL  75   5.021 -11.284   9.452
  624    HA   VAL  75           HA       VAL  75   4.273 -13.970   9.998
  625    HB   VAL  75           HB       VAL  75   2.656 -11.444  10.497
  626   HG11  VAL  75          1HG1      VAL  75   1.191 -13.407  10.728
  627   HG12  VAL  75          2HG1      VAL  75   1.566 -12.786  12.329
  628   HG13  VAL  75          3HG1      VAL  75   2.404 -14.213  11.722
  629   HG21  VAL  75          3HG2      VAL  75   3.680 -11.386  12.697
  630   HG22  VAL  75          1HG2      VAL  75   4.978 -11.515  11.519
  631   HG23  VAL  75          2HG2      VAL  75   4.483 -12.931  12.419
  632    H    SER  76           H        SER  76   1.894 -11.633   8.790
  633    HA   SER  76           HA       SER  76   1.222 -13.073   6.392
  634    HB2  SER  76           1HB      SER  76  -0.585 -13.311   8.839
  635    HB3  SER  76           2HB      SER  76  -0.961 -13.936   7.215
  636    HG   SER  76           HG       SER  76  -0.070 -15.661   8.031
  637    H    ILE  77           H        ILE  77  -0.644 -12.093   5.344
  638    HA   ILE  77           HA       ILE  77  -1.892 -10.299   4.678
  639    HB   ILE  77           HB       ILE  77  -3.673  -9.911   6.216
  640   HG12  ILE  77          1HG1      ILE  77  -1.985 -10.091   8.763
  641   HG13  ILE  77          2HG1      ILE  77  -2.096  -8.564   7.911
  642   HG21  ILE  77          1HG2      ILE  77  -3.095 -12.374   6.130
  643   HG22  ILE  77          2HG2      ILE  77  -4.162 -11.840   7.429
  644   HG23  ILE  77          3HG2      ILE  77  -2.480 -12.176   7.766
  645   HD11  ILE  77          3HD1      ILE  77  -4.541  -8.609   8.143
  646   HD12  ILE  77          1HD1      ILE  77  -3.758  -8.748   9.721
  647   HD13  ILE  77          2HD1      ILE  77  -4.434 -10.176   8.941
  648    HA   PRO  78           HA       PRO  78  -3.371  -8.203   5.357
  649    HB2  PRO  78           1HB      PRO  78  -3.948  -5.743   5.589
  650    HB3  PRO  78           2HB      PRO  78  -3.158  -6.493   6.988
  651    HG2  PRO  78           1HG      PRO  78  -1.888  -4.785   4.835
  652    HG3  PRO  78           2HG      PRO  78  -1.693  -4.683   6.596
  653    HD2  PRO  78           1HD      PRO  78   0.001  -6.175   4.836
  654    HD3  PRO  78           2HD      PRO  78  -0.049  -6.361   6.598
  655    H    ASP  79           H        ASP  79  -4.811  -7.459   3.751
  656    HA   ASP  79           HA       ASP  79  -3.472  -6.969   1.117
  657    HB2  ASP  79           1HB      ASP  79  -6.293  -8.054   1.519
  658    HB3  ASP  79           2HB      ASP  79  -5.298  -8.094   0.071
  659    H    VAL  80           H        VAL  80  -4.584  -5.553  -0.348
  660    HA   VAL  80           HA       VAL  80  -6.187  -3.407   0.991
  661    HB   VAL  80           HB       VAL  80  -4.062  -3.056  -1.166
  662   HG11  VAL  80          1HG1      VAL  80  -5.663  -1.040   0.455
  663   HG12  VAL  80          2HG1      VAL  80  -5.840  -1.327  -1.272
  664   HG13  VAL  80          3HG1      VAL  80  -4.356  -0.613  -0.650
  665   HG21  VAL  80          3HG2      VAL  80  -2.722  -1.991   0.646
  666   HG22  VAL  80          1HG2      VAL  80  -3.055  -3.683   0.997
  667   HG23  VAL  80          2HG2      VAL  80  -3.975  -2.425   1.810
  668    H    THR  81           H        THR  81  -7.924  -2.735  -0.011
  669    HA   THR  81           HA       THR  81  -8.522  -3.573  -2.816
  670    HB   THR  81           HB       THR  81 -10.495  -3.782  -0.487
  671    HG1  THR  81           HG1      THR  81 -10.148  -6.083  -0.933
  672   HG21  THR  81          3HG2      THR  81 -11.837  -5.062  -2.123
  673   HG22  THR  81          1HG2      THR  81 -10.591  -4.826  -3.351
  674   HG23  THR  81          2HG2      THR  81 -11.506  -3.444  -2.743
  675    H    TYR  82           H        TYR  82  -9.168  -1.928  -3.970
  676    HA   TYR  82           HA       TYR  82 -10.616   0.371  -2.786
  677    HB2  TYR  82           1HB      TYR  82  -9.076   1.993  -3.726
  678    HB3  TYR  82           2HB      TYR  82  -8.200   0.929  -2.637
  679    HD1  TYR  82           HD1      TYR  82  -7.028  -1.196  -3.725
  680    HD2  TYR  82           HD2      TYR  82  -8.165   2.310  -5.974
  681    HE1  TYR  82           HE1      TYR  82  -5.457  -1.813  -5.527
  682    HE2  TYR  82           HE2      TYR  82  -6.561   1.670  -7.744
  683    HH   TYR  82           HH       TYR  82  -5.216  -1.362  -8.006
  684    H    THR  83           H        THR  83 -11.032   1.994  -4.694
  685    HA   THR  83           HA       THR  83 -12.009   0.400  -7.052
  686    HB   THR  83           HB       THR  83 -13.364   2.802  -5.743
  687    HG1  THR  83           HG1      THR  83 -14.257   0.143  -5.631
  688   HG21  THR  83          3HG2      THR  83 -14.338   0.773  -7.800
  689   HG22  THR  83          1HG2      THR  83 -13.940   2.454  -8.141
  690   HG23  THR  83          2HG2      THR  83 -15.309   2.068  -7.106
  691    H    LEU  84           H        LEU  84 -10.663   0.894  -8.639
  692    HA   LEU  84           HA       LEU  84  -9.524   3.572  -8.985
  693    HB2  LEU  84           1HB      LEU  84  -8.311   1.380  -9.471
  694    HB3  LEU  84           2HB      LEU  84  -9.362   1.115 -10.815
  695    HG   LEU  84           HG       LEU  84  -7.154   2.032 -11.484
  696   HD11  LEU  84          1HD1      LEU  84  -9.493   2.734 -12.633
  697   HD12  LEU  84          2HD1      LEU  84  -7.941   3.180 -13.220
  698   HD13  LEU  84          3HD1      LEU  84  -8.879   4.319 -12.262
  699   HD21  LEU  84          3HD2      LEU  84  -6.974   3.523  -9.306
  700   HD22  LEU  84          1HD2      LEU  84  -7.784   4.740 -10.294
  701   HD23  LEU  84          2HD2      LEU  84  -6.243   4.064 -10.809
  702    H    LYS  85           H        LYS  85 -10.434   5.120 -10.269
  703    HA   LYS  85           HA       LYS  85 -12.385   4.353 -12.366
  704    HB2  LYS  85           1HB      LYS  85 -12.615   6.446 -10.189
  705    HB3  LYS  85           2HB      LYS  85 -13.574   6.565 -11.660
  706    HG2  LYS  85           1HG      LYS  85 -13.595   3.975 -10.039
  707    HG3  LYS  85           2HG      LYS  85 -14.590   5.316  -9.513
  708    HD2  LYS  85           1HD      LYS  85 -14.812   4.419 -12.428
  709    HD3  LYS  85           2HD      LYS  85 -15.606   3.461 -11.187
  710    HE2  LYS  85           1HE      LYS  85 -16.060   6.447 -11.549
  711    HE3  LYS  85           2HE      LYS  85 -17.117   5.189 -12.197
  712    HZ1  LYS  85           3HZ      LYS  85 -16.726   6.053  -9.449
  713    HZ2  LYS  85           1HZ      LYS  85 -16.945   4.388  -9.691
  714    HZ3  LYS  85           2HZ      LYS  85 -18.125   5.488 -10.226
  715    H    ALA  86           H        ALA  86 -12.664   5.881 -14.013
  716    HA   ALA  86           HA       ALA  86 -10.185   6.849 -15.054
  717    HB1  ALA  86           3HB      ALA  86 -11.997   5.950 -16.487
  718    HB2  ALA  86           1HB      ALA  86 -11.563   7.591 -16.969
  719    HB3  ALA  86           2HB      ALA  86 -13.032   7.302 -16.034
  720    H    LYS  87           H        LYS  87  -9.367   8.863 -15.170
  721    HA   LYS  87           HA       LYS  87 -10.101  10.805 -13.285
  722    HB2  LYS  87           1HB      LYS  87  -7.840  10.443 -14.498
  723    HB3  LYS  87           2HB      LYS  87  -8.492  11.394 -15.820
  724    HG2  LYS  87           1HG      LYS  87  -8.524  12.542 -12.978
  725    HG3  LYS  87           2HG      LYS  87  -7.040  12.602 -13.913
  726    HD2  LYS  87           1HD      LYS  87  -8.208  13.879 -15.691
  727    HD3  LYS  87           2HD      LYS  87  -9.702  13.822 -14.766
  728    HE2  LYS  87           1HE      LYS  87  -7.127  15.106 -13.795
  729    HE3  LYS  87           2HE      LYS  87  -8.525  15.979 -14.427
  730    HZ1  LYS  87           3HZ      LYS  87  -9.866  14.892 -12.665
  731    HZ2  LYS  87           1HZ      LYS  87  -8.680  15.948 -12.069
  732    HZ3  LYS  87           2HZ      LYS  87  -8.430  14.270 -12.001
  733    H    GLU  88           H        GLU  88 -11.678  12.255 -13.294
  734    HA   GLU  88           HA       GLU  88 -12.524  13.694 -15.647
  735    HB2  GLU  88           1HB      GLU  88 -13.692  11.494 -15.962
  736    HB3  GLU  88           2HB      GLU  88 -14.500  11.722 -14.413
  737    HG2  GLU  88           1HG      GLU  88 -15.585  13.781 -15.270
  738    HG3  GLU  88           2HG      GLU  88 -14.734  13.605 -16.798
  739    H    ASP  89           H        ASP  89 -11.894  15.379 -14.239
  740    HA   ASP  89           HA       ASP  89 -12.797  15.856 -11.688
  741    HB2  ASP  89           1HB      ASP  89 -12.273  18.334 -12.346
  742    HB3  ASP  89           2HB      ASP  89 -10.971  17.161 -12.443
  743    HA   PRO  90           HA       PRO  90 -17.096  17.073 -12.738
  744    HB2  PRO  90           1HB      PRO  90 -18.159  17.322 -10.288
  745    HB3  PRO  90           2HB      PRO  90 -17.483  15.745 -10.774
  746    HG2  PRO  90           1HG      PRO  90 -16.175  17.905  -9.105
  747    HG3  PRO  90           2HG      PRO  90 -16.321  16.170  -8.757
  748    HD2  PRO  90           1HD      PRO  90 -14.056  17.279  -9.962
  749    HD3  PRO  90           2HD      PRO  90 -14.572  15.602 -10.198
  750    H    LEU  91           H        LEU  91 -15.175  18.951 -10.449
  751    HA   LEU  91           HA       LEU  91 -16.680  21.329 -10.421
  752    HB2  LEU  91           1HB      LEU  91 -14.596  22.343  -9.521
  753    HB3  LEU  91           2HB      LEU  91 -15.012  20.823  -8.740
  754    HG   LEU  91           HG       LEU  91 -13.335  19.889 -10.797
  755   HD11  LEU  91          1HD1      LEU  91 -11.350  21.322 -10.905
  756   HD12  LEU  91          2HD1      LEU  91 -12.127  22.520  -9.870
  757   HD13  LEU  91          3HD1      LEU  91 -12.755  22.217 -11.486
  758   HD21  LEU  91          3HD2      LEU  91 -13.171  19.212  -8.432
  759   HD22  LEU  91          1HD2      LEU  91 -12.444  20.766  -8.019
  760   HD23  LEU  91          2HD2      LEU  91 -11.581  19.635  -9.064
  761    H    GLU  92           H        GLU  92 -14.282  20.141 -12.692
  762    HA   GLU  92           HA       GLU  92 -13.700  22.568 -14.026
  763    HB2  GLU  92           1HB      GLU  92 -12.420  20.432 -14.297
  764    HB3  GLU  92           2HB      GLU  92 -13.767  19.769 -15.215
  765    HG2  GLU  92           1HG      GLU  92 -12.072  20.582 -16.781
  766    HG3  GLU  92           2HG      GLU  92 -13.473  21.634 -16.900
  767    H    HIS  93           H        HIS  93 -15.587  23.761 -14.343
  768    HA   HIS  93           HA       HIS  93 -17.983  22.797 -15.526
  769    HB2  HIS  93           1HB      HIS  93 -16.868  25.633 -15.419
  770    HB3  HIS  93           2HB      HIS  93 -18.543  25.202 -15.771
  771    HD1  HIS  93           HD1      HIS  93 -16.044  25.356 -12.974
  772    HD2  HIS  93           HD2      HIS  93 -20.052  24.341 -13.508
  773    HE1  HIS  93           HE1      HIS  93 -17.044  25.143 -10.655
  774    HE2  HIS  93           HE2      HIS  93 -19.488  24.525 -10.966
  775    H    HIS  94           H        HIS  94 -15.111  24.324 -16.908
  776    HA   HIS  94           HA       HIS  94 -16.089  24.729 -19.532
  777    HB2  HIS  94           1HB      HIS  94 -14.013  25.765 -18.639
  778    HB3  HIS  94           2HB      HIS  94 -13.217  24.194 -18.667
  779    HD1  HIS  94           HD1      HIS  94 -14.850  26.675 -21.051
  780    HD2  HIS  94           HD2      HIS  94 -12.127  23.520 -21.151
  781    HE1  HIS  94           HE1      HIS  94 -13.938  26.595 -23.411
  782    HE2  HIS  94           HE2      HIS  94 -12.274  24.676 -23.488
  783    H    HIS  95           H        HIS  95 -16.593  23.311 -21.071
  784    HA   HIS  95           HA       HIS  95 -15.096  20.920 -21.658
  785    HB2  HIS  95           1HB      HIS  95 -16.961  19.305 -21.162
  786    HB3  HIS  95           2HB      HIS  95 -16.306  20.049 -19.705
  787    HD1  HIS  95           HD1      HIS  95 -18.148  22.706 -21.086
  788    HD2  HIS  95           HD2      HIS  95 -19.285  19.179 -19.175
  789    HE1  HIS  95           HE1      HIS  95 -20.509  23.074 -20.251
  790    HE2  HIS  95           HE2      HIS  95 -21.215  20.933 -19.083
  791    H    HIS  96           H        HIS  96 -17.390  23.289 -22.335
  792    HA   HIS  96           HA       HIS  96 -18.876  22.133 -24.449
  793    HB2  HIS  96           1HB      HIS  96 -19.470  24.282 -23.331
  794    HB3  HIS  96           2HB      HIS  96 -18.081  25.054 -24.091
  795    HD1  HIS  96           HD1      HIS  96 -18.175  25.342 -26.718
  796    HD2  HIS  96           HD2      HIS  96 -21.698  23.886 -25.030
  797    HE1  HIS  96           HE1      HIS  96 -19.954  25.519 -28.513
  798    HE2  HIS  96           HE2      HIS  96 -22.108  24.635 -27.498
  799    H    HIS  97           H        HIS  97 -15.757  23.825 -24.427
  800    HA   HIS  97           HA       HIS  97 -14.114  24.095 -26.004
  801    HB2  HIS  97           1HB      HIS  97 -15.233  21.467 -27.065
  802    HB3  HIS  97           2HB      HIS  97 -13.646  22.135 -27.439
  803    HD1  HIS  97           HD1      HIS  97 -15.128  19.742 -25.283
  804    HD2  HIS  97           HD2      HIS  97 -12.204  22.665 -24.741
  805    HE1  HIS  97           HE1      HIS  97 -13.831  19.082 -23.209
  806    HE2  HIS  97           HE2      HIS  97 -12.045  20.854 -22.865
  807    H    HIS  98           H        HIS  98 -13.805  23.780 -28.609
  808    HA   HIS  98           HA       HIS  98 -14.244  24.755 -30.634
  809    HB2  HIS  98           1HB      HIS  98 -17.132  24.038 -29.973
  810    HB3  HIS  98           2HB      HIS  98 -16.499  24.409 -31.574
  811    HD1  HIS  98           HD1      HIS  98 -16.433  21.760 -28.901
  812    HD2  HIS  98           HD2      HIS  98 -15.004  22.324 -32.777
  813    HE1  HIS  98           HE1      HIS  98 -15.601  19.502 -29.695
  814    HE2  HIS  98           HE2      HIS  98 -14.727  19.830 -32.057
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1  -4.356  21.254  15.076
    2    H2   MET   1           2H       MET   1  -3.106  22.353  14.732
    3    H3   MET   1           3H       MET   1  -2.740  20.809  15.341
    4    HA   MET   1           HA       MET   1  -4.067  20.071  13.190
    5    HB2  MET   1           1HB      MET   1  -2.759  22.736  12.481
    6    HB3  MET   1           2HB      MET   1  -3.440  21.594  11.317
    7    HG2  MET   1           1HG      MET   1  -5.164  23.237  11.673
    8    HG3  MET   1           2HG      MET   1  -5.680  21.840  12.614
    9    HE1  MET   1           3HE      MET   1  -7.304  23.560  13.756
   10    HE2  MET   1           1HE      MET   1  -6.589  24.911  12.866
   11    HE3  MET   1           2HE      MET   1  -6.791  25.014  14.613
   12    H    LYS   2           H        LYS   2  -2.635  18.377  13.529
   13    HA   LYS   2           HA       LYS   2  -0.080  18.579  12.207
   14    HB2  LYS   2           1HB      LYS   2   0.181  19.425  14.713
   15    HB3  LYS   2           2HB      LYS   2   0.060  17.723  15.130
   16    HG2  LYS   2           1HG      LYS   2   2.408  17.873  14.835
   17    HG3  LYS   2           2HG      LYS   2   1.945  17.448  13.192
   18    HD2  LYS   2           1HD      LYS   2   1.901  19.895  12.603
   19    HD3  LYS   2           2HD      LYS   2   2.447  20.268  14.235
   20    HE2  LYS   2           1HE      LYS   2   4.500  18.948  13.852
   21    HE3  LYS   2           2HE      LYS   2   3.951  18.571  12.213
   22    HZ1  LYS   2           3HZ      LYS   2   4.127  20.771  11.564
   23    HZ2  LYS   2           1HZ      LYS   2   5.506  20.539  12.523
   24    HZ3  LYS   2           2HZ      LYS   2   4.158  21.355  13.159
   25    H    THR   3           H        THR   3  -2.742  16.920  13.296
   26    HA   THR   3           HA       THR   3  -1.823  14.276  13.589
   27    HB   THR   3           HB       THR   3  -4.159  13.635  13.120
   28    HG1  THR   3           HG1      THR   3  -4.278  16.316  12.214
   29   HG21  THR   3          3HG2      THR   3  -5.242  15.007  14.856
   30   HG22  THR   3          1HG2      THR   3  -3.992  16.238  14.693
   31   HG23  THR   3          2HG2      THR   3  -3.585  14.647  15.340
   32    H    LEU   4           H        LEU   4  -2.748  16.104  10.698
   33    HA   LEU   4           HA       LEU   4  -2.566  13.933   8.856
   34    HB2  LEU   4           1HB      LEU   4  -2.163  16.893   8.269
   35    HB3  LEU   4           2HB      LEU   4  -2.646  15.639   7.134
   36    HG   LEU   4           HG       LEU   4  -4.601  15.425   9.208
   37   HD11  LEU   4          1HD1      LEU   4  -5.443  17.679   9.576
   38   HD12  LEU   4          2HD1      LEU   4  -4.157  18.371   8.586
   39   HD13  LEU   4          3HD1      LEU   4  -3.771  17.600  10.123
   40   HD21  LEU   4          3HD2      LEU   4  -6.156  16.379   7.512
   41   HD22  LEU   4          1HD2      LEU   4  -5.053  15.202   6.799
   42   HD23  LEU   4          2HD2      LEU   4  -4.772  16.928   6.564
   43    H    TYR   5           H        TYR   5  -0.939  15.115   6.874
   44    HA   TYR   5           HA       TYR   5   1.174  14.925   6.030
   45    HB2  TYR   5           1HB      TYR   5   2.003  15.954   8.779
   46    HB3  TYR   5           2HB      TYR   5   2.970  16.008   7.308
   47    HD1  TYR   5           HD1      TYR   5   2.356  17.537   5.426
   48    HD2  TYR   5           HD2      TYR   5   0.108  17.514   9.112
   49    HE1  TYR   5           HE1      TYR   5   1.321  19.707   4.825
   50    HE2  TYR   5           HE2      TYR   5  -0.911  19.683   8.491
   51    HH   TYR   5           HH       TYR   5  -0.696  21.470   7.102
   52    H    ASP   6           H        ASP   6   0.034  12.602   7.270
   53    HA   ASP   6           HA       ASP   6   2.220  11.252   8.697
   54    HB2  ASP   6           1HB      ASP   6  -0.543  10.255   7.897
   55    HB3  ASP   6           2HB      ASP   6   0.598   9.430   8.966
   56    H    LEU   7           H        LEU   7   1.261  11.781   5.525
   57    HA   LEU   7           HA       LEU   7   1.377  10.316   3.605
   58    HB2  LEU   7           1HB      LEU   7   3.759  10.497   2.861
   59    HB3  LEU   7           2HB      LEU   7   3.042  12.017   3.377
   60    HG   LEU   7           HG       LEU   7   4.347  10.599   5.678
   61   HD11  LEU   7          1HD1      LEU   7   6.111  11.396   3.373
   62   HD12  LEU   7          2HD1      LEU   7   5.867   9.769   4.003
   63   HD13  LEU   7          3HD1      LEU   7   6.666  10.981   5.000
   64   HD21  LEU   7          3HD2      LEU   7   3.584  13.004   5.603
   65   HD22  LEU   7          1HD2      LEU   7   4.895  13.342   4.484
   66   HD23  LEU   7          2HD2      LEU   7   5.250  12.798   6.124
   67    HA   PRO   8           HA       PRO   8   2.794   6.379   5.680
   68    HB2  PRO   8           1HB      PRO   8   0.455   4.947   5.622
   69    HB3  PRO   8           2HB      PRO   8   0.767   6.173   6.869
   70    HG2  PRO   8           1HG      PRO   8  -0.952   6.395   4.408
   71    HG3  PRO   8           2HG      PRO   8  -1.226   7.064   6.023
   72    HD2  PRO   8           1HD      PRO   8  -0.187   8.500   3.825
   73    HD3  PRO   8           2HD      PRO   8  -0.024   8.996   5.519
   74    H    ILE   9           H        ILE   9   0.221   5.358   3.574
   75    HA   ILE   9           HA       ILE   9   2.086   3.830   1.934
   76    HB   ILE   9           HB       ILE   9  -0.928   4.099   1.872
   77   HG12  ILE   9          1HG1      ILE   9   0.777   1.797   2.945
   78   HG13  ILE   9          2HG1      ILE   9   0.090   3.048   3.976
   79   HG21  ILE   9          1HG2      ILE   9   0.973   2.163   0.429
   80   HG22  ILE   9          2HG2      ILE   9  -0.079   3.343  -0.352
   81   HG23  ILE   9          3HG2      ILE   9  -0.773   1.964   0.471
   82   HD11  ILE   9          3HD1      ILE   9  -1.348   1.047   3.937
   83   HD12  ILE   9          1HD1      ILE   9  -1.520   1.191   2.190
   84   HD13  ILE   9          2HD1      ILE   9  -2.176   2.439   3.247
   85    H    VAL  10           H        VAL  10   2.848   4.460   0.073
   86    HA   VAL  10           HA       VAL  10   1.678   6.836  -1.312
   87    HB   VAL  10           HB       VAL  10   4.479   5.679  -1.636
   88   HG11  VAL  10          1HG1      VAL  10   4.905   7.906  -2.700
   89   HG12  VAL  10          2HG1      VAL  10   3.210   8.328  -2.499
   90   HG13  VAL  10          3HG1      VAL  10   3.670   7.011  -3.576
   91   HG21  VAL  10          3HG2      VAL  10   3.482   8.004   0.073
   92   HG22  VAL  10          1HG2      VAL  10   5.178   7.630  -0.234
   93   HG23  VAL  10          2HG2      VAL  10   4.182   6.494   0.672
   94    H    LEU  11           H        LEU  11   1.197   6.760  -3.442
   95    HA   LEU  11           HA       LEU  11   1.033   4.043  -4.621
   96    HB2  LEU  11           1HB      LEU  11  -0.912   6.023  -4.384
   97    HB3  LEU  11           2HB      LEU  11  -0.379   6.252  -6.044
   98    HG   LEU  11           HG       LEU  11  -1.322   3.611  -4.836
   99   HD11  LEU  11          1HD1      LEU  11  -2.619   5.472  -6.832
  100   HD12  LEU  11          2HD1      LEU  11  -3.136   5.206  -5.166
  101   HD13  LEU  11          3HD1      LEU  11  -3.243   3.896  -6.345
  102   HD21  LEU  11          3HD2      LEU  11  -0.486   4.295  -7.694
  103   HD22  LEU  11          1HD2      LEU  11  -1.231   2.789  -7.198
  104   HD23  LEU  11          2HD2      LEU  11   0.357   3.192  -6.627
  105    H    ARG  12           H        ARG  12   2.379   3.493  -6.158
  106    HA   ARG  12           HA       ARG  12   3.863   5.586  -7.678
  107    HB2  ARG  12           1HB      ARG  12   5.182   3.986  -6.258
  108    HB3  ARG  12           2HB      ARG  12   4.589   2.660  -7.254
  109    HG2  ARG  12           1HG      ARG  12   5.670   3.572  -9.249
  110    HG3  ARG  12           2HG      ARG  12   6.110   5.058  -8.407
  111    HD2  ARG  12           1HD      ARG  12   7.577   3.771  -6.906
  112    HD3  ARG  12           2HD      ARG  12   7.134   2.277  -7.737
  113    HE   ARG  12           HE       ARG  12   8.946   4.334  -8.688
  114   HH11  ARG  12          1HH2      ARG  12   6.764   1.797  -9.601
  115   HH12  ARG  12          2HH2      ARG  12   7.511   1.521 -11.140
  116   HH21  ARG  12          1HH1      ARG  12   9.918   3.981 -10.701
  117   HH22  ARG  12          2HH1      ARG  12   9.298   2.759 -11.759
  118    H    ASN  13           H        ASN  13   4.257   5.218  -9.887
  119    HA   ASN  13           HA       ASN  13   3.774   4.609 -12.040
  120    HB2  ASN  13           1HB      ASN  13   2.121   2.307 -10.896
  121    HB3  ASN  13           2HB      ASN  13   2.713   2.482 -12.531
  122   HD21  ASN  13          2HD2      ASN  13   3.387   0.650  -9.976
  123   HD22  ASN  13          1HD2      ASN  13   5.079   0.590 -10.043
  124    H    LEU  14           H        LEU  14   1.427   5.201  -9.666
  125    HA   LEU  14           HA       LEU  14  -1.000   5.200 -10.488
  126    HB2  LEU  14           1HB      LEU  14  -0.435   6.567  -8.608
  127    HB3  LEU  14           2HB      LEU  14   0.387   7.730  -9.637
  128    HG   LEU  14           HG       LEU  14  -1.752   8.440 -10.655
  129   HD11  LEU  14          1HD1      LEU  14  -2.919   6.054  -9.194
  130   HD12  LEU  14          2HD1      LEU  14  -3.076   6.513 -10.886
  131   HD13  LEU  14          3HD1      LEU  14  -3.946   7.413  -9.657
  132   HD21  LEU  14          3HD2      LEU  14  -1.121   9.474  -8.527
  133   HD22  LEU  14          1HD2      LEU  14  -2.047   8.246  -7.660
  134   HD23  LEU  14          2HD2      LEU  14  -2.870   9.387  -8.724
  135    HA   PRO  15           HA       PRO  15  -0.548   6.462 -14.939
  136    HB2  PRO  15           1HB      PRO  15  -3.501   5.860 -14.624
  137    HB3  PRO  15           2HB      PRO  15  -2.459   5.479 -15.997
  138    HG2  PRO  15           1HG      PRO  15  -3.027   3.552 -14.267
  139    HG3  PRO  15           2HG      PRO  15  -1.376   3.722 -14.835
  140    HD2  PRO  15           1HD      PRO  15  -2.552   4.512 -12.178
  141    HD3  PRO  15           2HD      PRO  15  -0.937   3.849 -12.536
  142    H    GLU  16           H        GLU  16  -1.356   8.338 -16.093
  143    HA   GLU  16           HA       GLU  16  -2.127  10.562 -14.348
  144    HB2  GLU  16           1HB      GLU  16  -1.692  11.934 -16.373
  145    HB3  GLU  16           2HB      GLU  16  -0.326  10.898 -15.947
  146    HG2  GLU  16           1HG      GLU  16  -1.033   9.244 -17.663
  147    HG3  GLU  16           2HG      GLU  16  -2.392  10.272 -18.102
  148    H    ASP  17           H        ASP  17  -3.635   8.465 -16.649
  149    HA   ASP  17           HA       ASP  17  -5.946  10.244 -17.072
  150    HB2  ASP  17           1HB      ASP  17  -5.364   7.448 -18.130
  151    HB3  ASP  17           2HB      ASP  17  -6.658   8.520 -18.662
  152    H    LEU  18           H        LEU  18  -4.983   7.999 -14.785
  153    HA   LEU  18           HA       LEU  18  -7.809   7.358 -14.016
  154    HB2  LEU  18           1HB      LEU  18  -5.342   5.731 -13.317
  155    HB3  LEU  18           2HB      LEU  18  -7.010   5.304 -13.036
  156    HG   LEU  18           HG       LEU  18  -5.718   5.616 -15.780
  157   HD11  LEU  18          1HD1      LEU  18  -5.179   3.505 -14.375
  158   HD12  LEU  18          2HD1      LEU  18  -5.766   3.255 -15.994
  159   HD13  LEU  18          3HD1      LEU  18  -6.845   3.036 -14.622
  160   HD21  LEU  18          3HD2      LEU  18  -8.582   5.049 -14.937
  161   HD22  LEU  18          1HD2      LEU  18  -7.988   4.491 -16.500
  162   HD23  LEU  18          2HD2      LEU  18  -7.986   6.197 -16.137
  163    H    VAL  19           H        VAL  19  -8.354   7.520 -11.884
  164    HA   VAL  19           HA       VAL  19  -6.375   8.681  -9.987
  165    HB   VAL  19           HB       VAL  19  -7.955  10.488  -9.375
  166   HG11  VAL  19          1HG1      VAL  19  -6.153  10.850 -11.131
  167   HG12  VAL  19          2HG1      VAL  19  -7.543  11.908 -11.309
  168   HG13  VAL  19          3HG1      VAL  19  -7.366  10.519 -12.369
  169   HG21  VAL  19          3HG2      VAL  19  -9.574   9.475 -11.767
  170   HG22  VAL  19          1HG2      VAL  19  -9.899  10.969 -10.891
  171   HG23  VAL  19          2HG2      VAL  19 -10.090   9.422 -10.081
  172    H    LEU  20           H        LEU  20  -6.938   8.576  -7.851
  173    HA   LEU  20           HA       LEU  20  -8.595   6.274  -7.198
  174    HB2  LEU  20           1HB      LEU  20  -6.254   6.658  -6.289
  175    HB3  LEU  20           2HB      LEU  20  -6.892   8.020  -5.374
  176    HG   LEU  20           HG       LEU  20  -8.496   6.441  -4.249
  177   HD11  LEU  20          1HD1      LEU  20  -7.769   3.932  -4.364
  178   HD12  LEU  20          2HD1      LEU  20  -7.127   4.375  -5.950
  179   HD13  LEU  20          3HD1      LEU  20  -8.843   4.582  -5.596
  180   HD21  LEU  20          3HD2      LEU  20  -6.752   5.318  -2.811
  181   HD22  LEU  20          1HD2      LEU  20  -6.382   7.007  -3.144
  182   HD23  LEU  20          2HD2      LEU  20  -5.544   5.737  -4.021
  183    H    GLU  21           H        GLU  21 -10.611   6.428  -6.355
  184    HA   GLU  21           HA       GLU  21 -12.007   8.889  -6.151
  185    HB2  GLU  21           1HB      GLU  21 -13.810   7.495  -5.092
  186    HB3  GLU  21           2HB      GLU  21 -13.211   6.824  -6.609
  187    HG2  GLU  21           1HG      GLU  21 -11.782   5.227  -5.388
  188    HG3  GLU  21           2HG      GLU  21 -12.292   5.897  -3.852
  189    H    LYS  22           H        LYS  22 -10.338   6.925  -3.742
  190    HA   LYS  22           HA       LYS  22 -10.462   9.168  -1.876
  191    HB2  LYS  22           1HB      LYS  22 -11.821   6.502  -1.392
  192    HB3  LYS  22           2HB      LYS  22 -11.193   7.393  -0.004
  193    HG2  LYS  22           1HG      LYS  22 -12.564   9.394  -0.779
  194    HG3  LYS  22           2HG      LYS  22 -13.285   8.341  -2.001
  195    HD2  LYS  22           1HD      LYS  22 -14.125   6.841  -0.216
  196    HD3  LYS  22           2HD      LYS  22 -13.391   7.883   1.009
  197    HE2  LYS  22           1HE      LYS  22 -15.801   8.402   0.733
  198    HE3  LYS  22           2HE      LYS  22 -14.804   9.776   0.252
  199    HZ1  LYS  22           3HZ      LYS  22 -15.290   7.925  -1.887
  200    HZ2  LYS  22           1HZ      LYS  22 -15.474   9.611  -1.852
  201    HZ3  LYS  22           2HZ      LYS  22 -16.718   8.609  -1.272
  202    HA   PRO  23           HA       PRO  23  -6.404   7.841  -0.922
  203    HB2  PRO  23           1HB      PRO  23  -6.143   8.538   1.776
  204    HB3  PRO  23           2HB      PRO  23  -6.075   9.714   0.444
  205    HG2  PRO  23           1HG      PRO  23  -8.439   8.944   2.157
  206    HG3  PRO  23           2HG      PRO  23  -7.882  10.571   1.700
  207    HD2  PRO  23           1HD      PRO  23  -9.929   9.442   0.401
  208    HD3  PRO  23           2HD      PRO  23  -8.715  10.357  -0.524
  209    H    LEU  24           H        LEU  24  -5.183   6.305   0.126
  210    HA   LEU  24           HA       LEU  24  -6.136   3.862   0.356
  211    HB2  LEU  24           1HB      LEU  24  -3.785   5.112   1.742
  212    HB3  LEU  24           2HB      LEU  24  -4.088   3.404   1.987
  213    HG   LEU  24           HG       LEU  24  -2.463   3.808   0.149
  214   HD11  LEU  24          1HD1      LEU  24  -3.388   2.333  -1.489
  215   HD12  LEU  24          2HD1      LEU  24  -5.010   2.603  -0.946
  216   HD13  LEU  24          3HD1      LEU  24  -3.857   1.781   0.097
  217   HD21  LEU  24          3HD2      LEU  24  -3.512   6.004  -0.592
  218   HD22  LEU  24          1HD2      LEU  24  -4.716   5.033  -1.450
  219   HD23  LEU  24          2HD2      LEU  24  -3.015   4.915  -1.877
  220    HA   PRO  25           HA       PRO  25  -8.519   3.470   4.042
  221    HB2  PRO  25           1HB      PRO  25  -8.523   0.792   4.510
  222    HB3  PRO  25           2HB      PRO  25  -9.235   1.462   3.023
  223    HG2  PRO  25           1HG      PRO  25  -6.489   0.252   3.404
  224    HG3  PRO  25           2HG      PRO  25  -7.693  -0.085   2.138
  225    HD2  PRO  25           1HD      PRO  25  -5.620   1.656   1.752
  226    HD3  PRO  25           2HD      PRO  25  -7.180   1.853   0.958
  227    H    GLU  26           H        GLU  26  -5.247   2.258   4.117
  228    HA   GLU  26           HA       GLU  26  -3.659   2.170   5.729
  229    HB2  GLU  26           1HB      GLU  26  -5.544   3.932   7.360
  230    HB3  GLU  26           2HB      GLU  26  -3.830   3.693   7.658
  231    HG2  GLU  26           1HG      GLU  26  -4.995   4.906   5.114
  232    HG3  GLU  26           2HG      GLU  26  -4.300   5.827   6.442
  233    H    VAL  27           H        VAL  27  -3.132   0.637   7.166
  234    HA   VAL  27           HA       VAL  27  -5.001  -0.355   9.160
  235    HB   VAL  27           HB       VAL  27  -5.707  -1.585   7.146
  236   HG11  VAL  27          1HG1      VAL  27  -2.834  -2.602   7.004
  237   HG12  VAL  27          2HG1      VAL  27  -3.558  -1.448   5.885
  238   HG13  VAL  27          3HG1      VAL  27  -4.164  -3.091   5.965
  239   HG21  VAL  27          3HG2      VAL  27  -5.573  -2.730   9.478
  240   HG22  VAL  27          1HG2      VAL  27  -4.115  -3.524   8.888
  241   HG23  VAL  27          2HG2      VAL  27  -5.650  -3.811   8.090
  242    H    SER  28           H        SER  28  -3.996  -2.049  10.495
  243    HA   SER  28           HA       SER  28  -1.213  -1.344  11.102
  244    HB2  SER  28           1HB      SER  28  -1.550  -2.672  13.121
  245    HB3  SER  28           2HB      SER  28  -2.932  -1.603  12.897
  246    HG   SER  28           HG       SER  28  -3.168  -4.031  11.633
  247    H    VAL  29           H        VAL  29   0.267  -3.140  11.697
  248    HA   VAL  29           HA       VAL  29   0.056  -5.544   9.904
  249    HB   VAL  29           HB       VAL  29   2.418  -5.270   9.269
  250   HG11  VAL  29          1HG1      VAL  29   2.169  -3.332   7.780
  251   HG12  VAL  29          2HG1      VAL  29   0.867  -2.687   8.779
  252   HG13  VAL  29          3HG1      VAL  29   0.637  -4.171   7.890
  253   HG21  VAL  29          3HG2      VAL  29   3.281  -4.060  11.260
  254   HG22  VAL  29          1HG2      VAL  29   2.296  -2.663  10.862
  255   HG23  VAL  29          2HG2      VAL  29   3.634  -3.137   9.814
  256    H    THR  30           H        THR  30   1.312  -7.359  10.609
  257    HA   THR  30           HA       THR  30   2.085  -7.219  13.509
  258    HB   THR  30           HB       THR  30   1.041  -9.697  12.092
  259    HG1  THR  30           HG1      THR  30  -0.528  -8.242  13.880
  260   HG21  THR  30          3HG2      THR  30   1.249  -8.900  15.040
  261   HG22  THR  30          1HG2      THR  30   2.329 -10.023  14.215
  262   HG23  THR  30          2HG2      THR  30   0.629 -10.430  14.433
  263    H    ILE  31           H        ILE  31   4.183  -7.424  13.775
  264    HA   ILE  31           HA       ILE  31   5.730  -9.283  12.046
  265    HB   ILE  31           HB       ILE  31   6.438  -6.488  12.929
  266   HG12  ILE  31          1HG1      ILE  31   7.125  -6.352  10.441
  267   HG13  ILE  31          2HG1      ILE  31   6.410  -7.938  10.224
  268   HG21  ILE  31          1HG2      ILE  31   8.756  -7.008  11.975
  269   HG22  ILE  31          2HG2      ILE  31   8.355  -8.714  12.131
  270   HG23  ILE  31          3HG2      ILE  31   8.432  -7.682  13.566
  271   HD11  ILE  31          3HD1      ILE  31   4.547  -6.051  11.500
  272   HD12  ILE  31          1HD1      ILE  31   4.347  -7.080  10.078
  273   HD13  ILE  31          2HD1      ILE  31   5.128  -5.513   9.936
  274    H    ARG  32           H        ARG  32   7.195 -10.538  12.992
  275    HA   ARG  32           HA       ARG  32   7.294 -10.561  15.969
  276    HB2  ARG  32           1HB      ARG  32   6.176 -12.525  14.824
  277    HB3  ARG  32           2HB      ARG  32   7.725 -12.907  14.067
  278    HG2  ARG  32           1HG      ARG  32   8.773 -13.100  16.338
  279    HG3  ARG  32           2HG      ARG  32   7.218 -12.728  17.076
  280    HD2  ARG  32           1HD      ARG  32   6.247 -14.739  15.981
  281    HD3  ARG  32           2HD      ARG  32   7.858 -15.137  15.361
  282    HE   ARG  32           HE       ARG  32   8.071 -14.716  18.133
  283   HH11  ARG  32          1HH2      ARG  32   6.598 -16.921  15.890
  284   HH12  ARG  32          2HH2      ARG  32   6.649 -18.264  16.982
  285   HH21  ARG  32          1HH1      ARG  32   8.130 -16.462  19.545
  286   HH22  ARG  32          2HH1      ARG  32   7.516 -18.003  19.049
  287    H    ALA  33           H        ALA  33   9.198  -9.929  16.735
  288    HA   ALA  33           HA       ALA  33  11.683 -11.015  15.793
  289    HB1  ALA  33           3HB      ALA  33  10.903  -8.913  14.237
  290    HB2  ALA  33           1HB      ALA  33  12.582  -9.317  14.553
  291    HB3  ALA  33           2HB      ALA  33  11.789  -8.032  15.469
  292    H    TYR  34           H        TYR  34  13.556  -9.545  16.833
  293    HA   TYR  34           HA       TYR  34  13.214  -9.832  19.608
  294    HB2  TYR  34           1HB      TYR  34  15.408  -8.467  18.022
  295    HB3  TYR  34           2HB      TYR  34  15.500  -8.798  19.732
  296    HD1  TYR  34           HD2      TYR  34  15.628 -11.120  20.607
  297    HD2  TYR  34           HD1      TYR  34  15.539 -10.310  16.369
  298    HE1  TYR  34           HE2      TYR  34  16.373 -13.434  20.135
  299    HE2  TYR  34           HE1      TYR  34  16.279 -12.625  15.920
  300    HH   TYR  34           HH       TYR  34  17.092 -14.838  18.571
  301    HA   PRO  35           HA       PRO  35  11.617  -5.744  20.530
  302    HB2  PRO  35           1HB      PRO  35  12.331  -5.413  23.168
  303    HB3  PRO  35           2HB      PRO  35  11.019  -6.485  22.635
  304    HG2  PRO  35           1HG      PRO  35  13.827  -7.197  23.436
  305    HG3  PRO  35           2HG      PRO  35  12.316  -8.080  23.726
  306    HD2  PRO  35           1HD      PRO  35  14.124  -8.739  21.713
  307    HD3  PRO  35           2HD      PRO  35  12.400  -9.153  21.673
  308    H    GLU  36           H        GLU  36  14.993  -6.429  21.004
  309    HA   GLU  36           HA       GLU  36  15.931  -3.814  21.608
  310    HB2  GLU  36           1HB      GLU  36  18.135  -4.669  21.100
  311    HB3  GLU  36           2HB      GLU  36  17.208  -5.969  21.849
  312    HG2  GLU  36           1HG      GLU  36  16.636  -6.709  19.401
  313    HG3  GLU  36           2HG      GLU  36  17.950  -5.639  18.933
  314    H    ILE  37           H        ILE  37  15.426  -5.484  18.527
  315    HA   ILE  37           HA       ILE  37  16.356  -3.186  16.963
  316    HB   ILE  37           HB       ILE  37  15.874  -4.535  14.998
  317   HG12  ILE  37          1HG1      ILE  37  14.607  -6.514  16.911
  318   HG13  ILE  37          2HG1      ILE  37  13.767  -5.615  15.673
  319   HG21  ILE  37          1HG2      ILE  37  17.066  -6.516  16.988
  320   HG22  ILE  37          2HG2      ILE  37  17.950  -5.050  16.551
  321   HG23  ILE  37          3HG2      ILE  37  17.532  -6.235  15.321
  322   HD11  ILE  37          3HD1      ILE  37  15.466  -8.029  15.439
  323   HD12  ILE  37          1HD1      ILE  37  15.626  -6.866  14.115
  324   HD13  ILE  37          2HD1      ILE  37  14.063  -7.544  14.502
  325    H    LEU  38           H        LEU  38  13.317  -4.612  17.994
  326    HA   LEU  38           HA       LEU  38  11.647  -2.999  16.311
  327    HB2  LEU  38           1HB      LEU  38  11.089  -4.602  18.763
  328    HB3  LEU  38           2HB      LEU  38   9.817  -3.762  17.930
  329    HG   LEU  38           HG       LEU  38  11.601  -5.828  16.566
  330   HD11  LEU  38          1HD1      LEU  38   9.728  -7.435  16.798
  331   HD12  LEU  38          2HD1      LEU  38   8.883  -6.269  17.819
  332   HD13  LEU  38          3HD1      LEU  38  10.406  -6.971  18.356
  333   HD21  LEU  38          3HD2      LEU  38   8.914  -4.623  15.792
  334   HD22  LEU  38          1HD2      LEU  38   9.742  -5.883  14.884
  335   HD23  LEU  38          2HD2      LEU  38  10.443  -4.290  14.997
  336    H    ASN  39           H        ASN  39  13.004  -2.694  19.490
  337    HA   ASN  39           HA       ASN  39  11.473  -0.387  20.244
  338    HB2  ASN  39           1HB      ASN  39  12.495  -1.862  21.926
  339    HB3  ASN  39           2HB      ASN  39  14.105  -1.485  21.305
  340   HD21  ASN  39          2HD2      ASN  39  14.872  -0.387  23.192
  341   HD22  ASN  39          1HD2      ASN  39  14.189   1.063  23.748
  342    H    ASN  40           H        ASN  40  14.138  -0.937  18.178
  343    HA   ASN  40           HA       ASN  40  15.060   1.889  18.282
  344    HB2  ASN  40           1HB      ASN  40  16.768   0.083  18.458
  345    HB3  ASN  40           2HB      ASN  40  16.293  -0.514  16.871
  346   HD21  ASN  40          2HD2      ASN  40  18.428   1.620  18.446
  347   HD22  ASN  40          1HD2      ASN  40  18.869   2.564  17.105
  348    H    LEU  41           H        LEU  41  13.409  -0.440  16.299
  349    HA   LEU  41           HA       LEU  41  13.690   0.853  13.824
  350    HB2  LEU  41           1HB      LEU  41  12.424  -1.510  14.728
  351    HB3  LEU  41           2HB      LEU  41  11.083  -0.589  14.124
  352    HG   LEU  41           HG       LEU  41  12.002  -2.050  12.377
  353   HD11  LEU  41          1HD1      LEU  41  12.791   0.801  11.686
  354   HD12  LEU  41          2HD1      LEU  41  11.107   0.295  11.823
  355   HD13  LEU  41          3HD1      LEU  41  12.167  -0.446  10.629
  356   HD21  LEU  41          3HD2      LEU  41  14.236  -2.322  11.907
  357   HD22  LEU  41          1HD2      LEU  41  14.530  -1.625  13.493
  358   HD23  LEU  41          2HD2      LEU  41  14.618  -0.613  12.058
  359    H    THR  42           H        THR  42  12.476   2.387  12.785
  360    HA   THR  42           HA       THR  42  10.314   3.741  14.345
  361    HB   THR  42           HB       THR  42  12.263   5.168  14.384
  362    HG1  THR  42           HG1      THR  42  11.089   6.795  13.849
  363   HG21  THR  42          3HG2      THR  42  12.315   4.977  11.362
  364   HG22  THR  42          1HG2      THR  42  13.474   4.164  12.419
  365   HG23  THR  42          2HG2      THR  42  13.406   5.928  12.358
  366    H    LYS  43           H        LYS  43   8.571   4.407  13.239
  367    HA   LYS  43           HA       LYS  43   7.620   2.952  11.075
  368    HB2  LYS  43           1HB      LYS  43   6.815   5.810  11.751
  369    HB3  LYS  43           2HB      LYS  43   5.831   4.618  10.898
  370    HG2  LYS  43           1HG      LYS  43   6.768   4.367  13.787
  371    HG3  LYS  43           2HG      LYS  43   5.160   4.876  13.282
  372    HD2  LYS  43           1HD      LYS  43   4.904   2.636  12.093
  373    HD3  LYS  43           2HD      LYS  43   6.432   2.140  12.820
  374    HE2  LYS  43           1HE      LYS  43   3.969   2.987  14.367
  375    HE3  LYS  43           2HE      LYS  43   4.550   1.331  14.173
  376    HZ1  LYS  43           3HZ      LYS  43   6.679   2.088  15.169
  377    HZ2  LYS  43           1HZ      LYS  43   5.359   2.152  16.231
  378    HZ3  LYS  43           2HZ      LYS  43   5.942   3.579  15.517
  379    H    GLU  44           H        GLU  44   9.296   6.048  10.995
  380    HA   GLU  44           HA       GLU  44   8.932   6.685   8.292
  381    HB2  GLU  44           1HB      GLU  44  11.341   7.247  10.062
  382    HB3  GLU  44           2HB      GLU  44  10.976   8.073   8.543
  383    HG2  GLU  44           1HG      GLU  44   8.832   8.885   9.508
  384    HG3  GLU  44           2HG      GLU  44   9.213   8.078  11.028
  385    H    GLN  45           H        GLN  45  10.890   4.249   9.748
  386    HA   GLN  45           HA       GLN  45  12.766   3.942   7.598
  387    HB2  GLN  45           1HB      GLN  45  13.122   3.162  10.003
  388    HB3  GLN  45           2HB      GLN  45  11.992   1.864   9.672
  389    HG2  GLN  45           1HG      GLN  45  14.243   0.979   9.349
  390    HG3  GLN  45           2HG      GLN  45  13.510   1.128   7.755
  391   HE21  GLN  45          2HE2      GLN  45  15.378   3.227  10.023
  392   HE22  GLN  45          1HE2      GLN  45  16.370   3.896   8.818
  393    H    ILE  46           H        ILE  46   9.717   2.370   8.492
  394    HA   ILE  46           HA       ILE  46   9.832   0.307   6.564
  395    HB   ILE  46           HB       ILE  46   7.227   1.493   7.643
  396   HG12  ILE  46          1HG1      ILE  46   8.667   1.295   9.602
  397   HG13  ILE  46          2HG1      ILE  46   7.549  -0.057   9.629
  398   HG21  ILE  46          1HG2      ILE  46   8.063  -1.380   7.027
  399   HG22  ILE  46          2HG2      ILE  46   7.132  -0.365   5.957
  400   HG23  ILE  46          3HG2      ILE  46   6.454  -0.840   7.505
  401   HD11  ILE  46          3HD1      ILE  46   9.651  -1.014  10.158
  402   HD12  ILE  46          1HD1      ILE  46  10.489  -0.043   8.957
  403   HD13  ILE  46          2HD1      ILE  46   9.481  -1.384   8.449
  404    H    SER  47           H        SER  47   9.493   0.349   4.447
  405    HA   SER  47           HA       SER  47   8.304   2.765   3.150
  406    HB2  SER  47           1HB      SER  47  10.674   1.088   2.560
  407    HB3  SER  47           2HB      SER  47   9.682   1.445   1.152
  408    HG   SER  47           HG       SER  47  10.788   3.276   3.020
  409    H    LEU  48           H        LEU  48   6.326   2.440   2.469
  410    HA   LEU  48           HA       LEU  48   5.557  -0.168   1.237
  411    HB2  LEU  48           1HB      LEU  48   3.865   1.521   3.107
  412    HB3  LEU  48           2HB      LEU  48   3.346   0.040   2.311
  413    HG   LEU  48           HG       LEU  48   5.675   0.180   4.254
  414   HD11  LEU  48          1HD1      LEU  48   3.624   0.712   5.438
  415   HD12  LEU  48          2HD1      LEU  48   4.171  -0.898   5.897
  416   HD13  LEU  48          3HD1      LEU  48   2.833  -0.713   4.759
  417   HD21  LEU  48          3HD2      LEU  48   5.866  -1.777   2.750
  418   HD22  LEU  48          1HD2      LEU  48   4.191  -2.193   3.061
  419   HD23  LEU  48          2HD2      LEU  48   5.394  -2.331   4.334
  420    H    TRP  49           H        TRP  49   4.503  -0.083  -0.580
  421    HA   TRP  49           HA       TRP  49   3.011   2.212  -1.399
  422    HB2  TRP  49           1HB      TRP  49   4.363   2.914  -3.265
  423    HB3  TRP  49           2HB      TRP  49   5.492   2.737  -1.929
  424    HD1  TRP  49           HD1      TRP  49   4.381   1.024  -5.165
  425    HE1  TRP  49           HE1      TRP  49   6.199  -0.628  -5.900
  426    HE3  TRP  49           HE3      TRP  49   7.434   1.254  -1.091
  427    HZ2  TRP  49           HZ2      TRP  49   8.635  -1.733  -4.882
  428    HZ3  TRP  49           HZ3      TRP  49   9.504  -0.102  -0.998
  429    HH2  TRP  49           HH2      TRP  49  10.109  -1.600  -2.884
  430    H    ILE  50           H        ILE  50   2.416   1.816  -3.868
  431    HA   ILE  50           HA       ILE  50   1.936  -1.067  -4.371
  432    HB   ILE  50           HB       ILE  50  -0.357   0.922  -4.689
  433   HG12  ILE  50          1HG1      ILE  50   0.308  -0.637  -2.172
  434   HG13  ILE  50          2HG1      ILE  50   0.333   1.104  -2.314
  435   HG21  ILE  50          1HG2      ILE  50  -1.728  -1.118  -4.618
  436   HG22  ILE  50          2HG2      ILE  50  -0.338  -2.093  -4.144
  437   HG23  ILE  50          3HG2      ILE  50  -0.423  -1.400  -5.757
  438   HD11  ILE  50          3HD1      ILE  50  -2.074  -0.708  -2.434
  439   HD12  ILE  50          1HD1      ILE  50  -2.123   0.977  -2.957
  440   HD13  ILE  50          2HD1      ILE  50  -1.730   0.569  -1.283
  441    H    ASP  51           H        ASP  51   1.463  -1.570  -6.510
  442    HA   ASP  51           HA       ASP  51   2.317   0.488  -8.496
  443    HB2  ASP  51           1HB      ASP  51   2.374  -2.547  -8.696
  444    HB3  ASP  51           2HB      ASP  51   3.028  -1.398  -9.861
  445    H    ALA  52           H        ALA  52   0.576   1.419  -9.319
  446    HA   ALA  52           HA       ALA  52  -1.930  -0.024  -9.816
  447    HB1  ALA  52           3HB      ALA  52  -2.452   2.328 -10.941
  448    HB2  ALA  52           1HB      ALA  52  -0.968   2.821 -10.118
  449    HB3  ALA  52           2HB      ALA  52  -2.338   2.220  -9.192
  450    H    THR  53           H        THR  53   0.959  -0.001 -11.407
  451    HA   THR  53           HA       THR  53   0.199   0.391 -14.128
  452    HB   THR  53           HB       THR  53   2.564   0.299 -13.276
  453    HG1  THR  53           HG1      THR  53   1.780  -1.392 -15.387
  454   HG21  THR  53          3HG2      THR  53   3.644  -1.749 -12.725
  455   HG22  THR  53          1HG2      THR  53   2.399  -2.696 -13.539
  456   HG23  THR  53          2HG2      THR  53   2.059  -1.963 -11.980
  457    H    GLY  54           H        GLY  54   0.025  -1.315 -15.761
  458    HA2  GLY  54           1HA      GLY  54  -1.006  -3.205 -16.635
  459    HA3  GLY  54           2HA      GLY  54  -0.479  -4.043 -15.181
  460    H    LYS  55           H        LYS  55  -1.838  -2.703 -13.228
  461    HA   LYS  55           HA       LYS  55  -4.282  -3.960 -13.062
  462    HB2  LYS  55           1HB      LYS  55  -3.036  -1.596 -11.648
  463    HB3  LYS  55           2HB      LYS  55  -4.734  -1.893 -11.341
  464    HG2  LYS  55           1HG      LYS  55  -3.492  -3.023  -9.609
  465    HG3  LYS  55           2HG      LYS  55  -4.100  -4.277 -10.687
  466    HD2  LYS  55           1HD      LYS  55  -1.871  -4.315 -11.844
  467    HD3  LYS  55           2HD      LYS  55  -1.290  -3.101 -10.720
  468    HE2  LYS  55           1HE      LYS  55  -1.692  -4.641  -8.828
  469    HE3  LYS  55           2HE      LYS  55  -2.292  -5.864  -9.954
  470    HZ1  LYS  55           3HZ      LYS  55   0.033  -6.208  -9.403
  471    HZ2  LYS  55           1HZ      LYS  55   0.420  -4.669  -9.999
  472    HZ3  LYS  55           2HZ      LYS  55  -0.162  -5.865 -11.055
  473    H    ALA  56           H        ALA  56  -6.323  -3.489 -13.595
  474    HA   ALA  56           HA       ALA  56  -6.836  -1.122 -15.340
  475    HB1  ALA  56           3HB      ALA  56  -7.091  -3.363 -16.386
  476    HB2  ALA  56           1HB      ALA  56  -8.630  -2.506 -16.291
  477    HB3  ALA  56           2HB      ALA  56  -8.268  -3.806 -15.152
  478    H    VAL  57           H        VAL  57  -9.201  -0.529 -15.276
  479    HA   VAL  57           HA       VAL  57  -9.826   0.470 -12.736
  480    HB   VAL  57           HB       VAL  57 -11.957   1.156 -13.792
  481   HG11  VAL  57          1HG1      VAL  57  -9.505   1.641 -15.506
  482   HG12  VAL  57          2HG1      VAL  57  -9.930   2.552 -14.053
  483   HG13  VAL  57          3HG1      VAL  57 -10.958   2.644 -15.485
  484   HG21  VAL  57          3HG2      VAL  57 -12.328   0.635 -16.192
  485   HG22  VAL  57          1HG2      VAL  57 -12.329  -0.832 -15.218
  486   HG23  VAL  57          2HG2      VAL  57 -10.908  -0.407 -16.175
  487    H    GLY  58           H        GLY  58 -11.405  -0.075 -11.281
  488    HA2  GLY  58           1HA      GLY  58 -13.374  -1.443 -10.699
  489    HA3  GLY  58           2HA      GLY  58 -12.605  -2.809 -11.484
  490    H    GLU  59           H        GLU  59 -13.326  -3.385  -9.095
  491    HA   GLU  59           HA       GLU  59 -11.229  -2.746  -7.165
  492    HB2  GLU  59           1HB      GLU  59 -13.590  -4.578  -6.638
  493    HB3  GLU  59           2HB      GLU  59 -12.639  -3.641  -5.481
  494    HG2  GLU  59           1HG      GLU  59 -14.609  -2.316  -5.706
  495    HG3  GLU  59           2HG      GLU  59 -13.504  -1.537  -6.815
  496    H    HIS  60           H        HIS  60  -9.561  -3.944  -6.730
  497    HA   HIS  60           HA       HIS  60  -9.642  -6.847  -7.072
  498    HB2  HIS  60           1HB      HIS  60  -7.596  -5.087  -8.482
  499    HB3  HIS  60           2HB      HIS  60  -7.605  -6.851  -8.463
  500    HD1  HIS  60           HD1      HIS  60  -9.646  -8.032  -9.703
  501    HD2  HIS  60           HD2      HIS  60  -9.377  -3.916 -10.317
  502    HE1  HIS  60           HE1      HIS  60 -11.153  -7.500 -11.668
  503    HE2  HIS  60           HE2      HIS  60 -11.001  -4.996 -12.055
  504    H    THR  61           H        THR  61  -8.183  -7.922  -5.834
  505    HA   THR  61           HA       THR  61  -7.091  -6.447  -3.551
  506    HB   THR  61           HB       THR  61  -6.902  -9.445  -4.139
  507    HG1  THR  61           HG1      THR  61  -8.736  -8.348  -2.362
  508   HG21  THR  61          3HG2      THR  61  -6.628  -9.582  -1.672
  509   HG22  THR  61          1HG2      THR  61  -6.700  -7.826  -1.563
  510   HG23  THR  61          2HG2      THR  61  -5.348  -8.608  -2.383
  511    H    VAL  62           H        VAL  62  -4.928  -6.189  -3.111
  512    HA   VAL  62           HA       VAL  62  -2.904  -7.287  -4.996
  513    HB   VAL  62           HB       VAL  62  -1.908  -5.004  -5.280
  514   HG11  VAL  62          1HG1      VAL  62  -3.461  -5.977  -7.017
  515   HG12  VAL  62          2HG1      VAL  62  -3.500  -4.216  -6.972
  516   HG13  VAL  62          3HG1      VAL  62  -4.804  -5.136  -6.245
  517   HG21  VAL  62          3HG2      VAL  62  -3.308  -3.018  -4.721
  518   HG22  VAL  62          1HG2      VAL  62  -2.898  -3.924  -3.268
  519   HG23  VAL  62          2HG2      VAL  62  -4.507  -4.067  -3.973
  520    H    LYS  63           H        LYS  63  -0.820  -7.297  -4.231
  521    HA   LYS  63           HA       LYS  63  -0.587  -7.284  -1.276
  522    HB2  LYS  63           1HB      LYS  63   1.285  -8.380  -3.409
  523    HB3  LYS  63           2HB      LYS  63   1.472  -8.569  -1.661
  524    HG2  LYS  63           1HG      LYS  63  -0.716  -9.759  -1.561
  525    HG3  LYS  63           2HG      LYS  63  -0.876  -9.592  -3.313
  526    HD2  LYS  63           1HD      LYS  63   1.237 -10.892  -3.616
  527    HD3  LYS  63           2HD      LYS  63   1.348 -11.089  -1.865
  528    HE2  LYS  63           1HE      LYS  63  -0.926 -12.100  -3.618
  529    HE3  LYS  63           2HE      LYS  63   0.339 -13.096  -2.893
  530    HZ1  LYS  63           3HZ      LYS  63  -1.566 -13.190  -1.499
  531    HZ2  LYS  63           1HZ      LYS  63  -1.725 -11.503  -1.482
  532    HZ3  LYS  63           2HZ      LYS  63  -0.407 -12.236  -0.702
  533    H    ILE  64           H        ILE  64   1.025  -6.221  -0.207
  534    HA   ILE  64           HA       ILE  64   2.022  -3.744  -1.498
  535    HB   ILE  64           HB       ILE  64   2.318  -4.479   1.461
  536   HG12  ILE  64          1HG1      ILE  64  -0.059  -4.839   0.979
  537   HG13  ILE  64          2HG1      ILE  64   0.107  -3.311   1.832
  538   HG21  ILE  64          1HG2      ILE  64   2.168  -1.996   1.722
  539   HG22  ILE  64          2HG2      ILE  64   2.049  -1.816  -0.025
  540   HG23  ILE  64          3HG2      ILE  64   3.526  -2.461   0.695
  541   HD11  ILE  64          3HD1      ILE  64  -0.456  -3.770  -1.106
  542   HD12  ILE  64          1HD1      ILE  64   0.131  -2.225  -0.526
  543   HD13  ILE  64          2HD1      ILE  64  -1.380  -2.842   0.048
  544    H    TYR  65           H        TYR  65   4.101  -3.638  -2.189
  545    HA   TYR  65           HA       TYR  65   5.959  -5.817  -1.837
  546    HB2  TYR  65           1HB      TYR  65   6.378  -3.012  -2.949
  547    HB3  TYR  65           2HB      TYR  65   7.575  -4.304  -3.016
  548    HD1  TYR  65           HD1      TYR  65   7.252  -6.279  -4.479
  549    HD2  TYR  65           HD2      TYR  65   4.324  -3.110  -4.367
  550    HE1  TYR  65           HE1      TYR  65   6.229  -7.141  -6.562
  551    HE2  TYR  65           HE2      TYR  65   3.314  -3.991  -6.455
  552    HH   TYR  65           HH       TYR  65   3.685  -6.916  -7.581
  553    H    TRP  66           H        TRP  66   6.273  -6.015   0.370
  554    HA   TRP  66           HA       TRP  66   6.871  -4.064   2.235
  555    HB2  TRP  66           1HB      TRP  66   7.026  -5.919   3.615
  556    HB3  TRP  66           2HB      TRP  66   6.739  -6.881   2.175
  557    HD1  TRP  66           HD1      TRP  66   9.183  -6.442   4.821
  558    HE1  TRP  66           HE1      TRP  66  11.416  -7.603   4.277
  559    HE3  TRP  66           HE3      TRP  66   8.495  -7.306  -0.152
  560    HZ2  TRP  66           HZ2      TRP  66  12.732  -8.761   2.011
  561    HZ3  TRP  66           HZ3      TRP  66  10.253  -8.439  -1.488
  562    HH2  TRP  66           HH2      TRP  66  12.369  -9.167  -0.413
  563    H    GLN  67           H        GLN  67   8.757  -3.121   3.018
  564    HA   GLN  67           HA       GLN  67  11.342  -3.699   1.760
  565    HB2  GLN  67           1HB      GLN  67  10.265  -2.096   0.207
  566    HB3  GLN  67           2HB      GLN  67  10.031  -0.978   1.530
  567    HG2  GLN  67           1HG      GLN  67  12.031  -0.320   0.249
  568    HG3  GLN  67           2HG      GLN  67  12.529  -0.846   1.848
  569   HE21  GLN  67          2HE2      GLN  67  14.485  -1.955   1.559
  570   HE22  GLN  67          1HE2      GLN  67  14.752  -3.146   0.380
  571    H    LEU  68           H        LEU  68  12.209  -4.178   3.729
  572    HA   LEU  68           HA       LEU  68  12.929  -1.913   5.389
  573    HB2  LEU  68           1HB      LEU  68  12.102  -3.312   7.523
  574    HB3  LEU  68           2HB      LEU  68  10.980  -2.266   6.668
  575    HG   LEU  68           HG       LEU  68  10.146  -4.239   5.407
  576   HD11  LEU  68          1HD1      LEU  68  11.922  -5.775   5.232
  577   HD12  LEU  68          2HD1      LEU  68  10.916  -6.563   6.430
  578   HD13  LEU  68          3HD1      LEU  68  12.350  -5.686   6.939
  579   HD21  LEU  68          3HD2      LEU  68  10.175  -4.584   8.427
  580   HD22  LEU  68          1HD2      LEU  68   9.034  -5.353   7.324
  581   HD23  LEU  68          2HD2      LEU  68   9.043  -3.602   7.489
  582    HA   PRO  69           HA       PRO  69  16.846  -3.716   6.203
  583    HB2  PRO  69           1HB      PRO  69  15.819  -4.386   8.988
  584    HB3  PRO  69           2HB      PRO  69  17.410  -3.742   8.516
  585    HG2  PRO  69           1HG      PRO  69  15.409  -2.139   9.450
  586    HG3  PRO  69           2HG      PRO  69  16.603  -1.572   8.268
  587    HD2  PRO  69           1HD      PRO  69  13.747  -2.036   7.855
  588    HD3  PRO  69           2HD      PRO  69  14.873  -1.256   6.759
  589    H    ALA  70           H        ALA  70  17.339  -5.607   5.241
  590    HA   ALA  70           HA       ALA  70  15.722  -7.942   5.255
  591    HB1  ALA  70           3HB      ALA  70  18.655  -7.645   4.554
  592    HB2  ALA  70           1HB      ALA  70  17.307  -7.393   3.448
  593    HB3  ALA  70           2HB      ALA  70  17.622  -9.001   4.101
  594    H    GLY  71           H        GLY  71  15.532  -7.956   7.704
  595    HA2  GLY  71           1HA      GLY  71  17.324 -10.012   8.832
  596    HA3  GLY  71           2HA      GLY  71  17.188  -8.479   9.700
  597    H    ILE  72           H        ILE  72  14.370  -8.212   8.760
  598    HA   ILE  72           HA       ILE  72  13.118  -9.878  10.861
  599    HB   ILE  72           HB       ILE  72  11.430  -7.724   9.603
  600   HG12  ILE  72          1HG1      ILE  72  13.607  -6.585   9.399
  601   HG13  ILE  72          2HG1      ILE  72  12.655  -5.844  10.671
  602   HG21  ILE  72          1HG2      ILE  72  10.814  -8.889  11.704
  603   HG22  ILE  72          2HG2      ILE  72  11.043  -7.161  11.988
  604   HG23  ILE  72          3HG2      ILE  72  12.286  -8.289  12.447
  605   HD11  ILE  72          3HD1      ILE  72  14.230  -7.874  11.977
  606   HD12  ILE  72          1HD1      ILE  72  14.418  -6.124  12.068
  607   HD13  ILE  72          2HD1      ILE  72  15.296  -7.041  10.851
  608    H    GLU  73           H        GLU  73  11.061 -10.765  10.510
  609    HA   GLU  73           HA       GLU  73  10.614 -11.715   7.708
  610    HB2  GLU  73           1HB      GLU  73   9.949 -13.048  10.361
  611    HB3  GLU  73           2HB      GLU  73   9.618 -13.709   8.754
  612    HG2  GLU  73           1HG      GLU  73  12.056 -13.696   8.253
  613    HG3  GLU  73           2HG      GLU  73  12.381 -13.057   9.863
  614    H    MET  74           H        MET  74   8.496 -11.959   7.019
  615    HA   MET  74           HA       MET  74   6.571 -10.022   8.212
  616    HB2  MET  74           1HB      MET  74   6.520 -11.433   5.519
  617    HB3  MET  74           2HB      MET  74   5.430 -10.148   6.065
  618    HG2  MET  74           1HG      MET  74   7.348  -8.600   6.283
  619    HG3  MET  74           2HG      MET  74   8.449  -9.868   5.739
  620    HE1  MET  74           3HE      MET  74   7.972 -10.222   2.058
  621    HE2  MET  74           1HE      MET  74   7.919 -11.252   3.495
  622    HE3  MET  74           2HE      MET  74   9.169 -10.024   3.336
  623    H    VAL  75           H        VAL  75   5.105 -10.816   9.524
  624    HA   VAL  75           HA       VAL  75   4.566 -13.576   9.951
  625    HB   VAL  75           HB       VAL  75   2.860 -11.163  10.622
  626   HG11  VAL  75          1HG1      VAL  75   1.846 -12.663  12.395
  627   HG12  VAL  75          2HG1      VAL  75   2.661 -14.020  11.621
  628   HG13  VAL  75          3HG1      VAL  75   1.416 -13.126  10.751
  629   HG21  VAL  75          3HG2      VAL  75   4.627 -12.731  12.554
  630   HG22  VAL  75          1HG2      VAL  75   3.990 -11.101  12.753
  631   HG23  VAL  75          2HG2      VAL  75   5.292 -11.420  11.613
  632    H    SER  76           H        SER  76   2.093 -11.274   8.870
  633    HA   SER  76           HA       SER  76   1.428 -12.654   6.451
  634    HB2  SER  76           1HB      SER  76   0.604 -14.292   8.183
  635    HB3  SER  76           2HB      SER  76  -0.442 -13.023   8.828
  636    HG   SER  76           HG       SER  76  -0.597 -14.508   6.452
  637    H    ILE  77           H        ILE  77  -0.439 -11.688   5.436
  638    HA   ILE  77           HA       ILE  77  -1.706  -9.882   4.823
  639    HB   ILE  77           HB       ILE  77  -3.402  -9.344   6.386
  640   HG12  ILE  77          1HG1      ILE  77  -1.514  -9.414   8.776
  641   HG13  ILE  77          2HG1      ILE  77  -1.823  -7.948   7.910
  642   HG21  ILE  77          1HG2      ILE  77  -3.962 -11.159   7.715
  643   HG22  ILE  77          2HG2      ILE  77  -2.287 -11.631   7.941
  644   HG23  ILE  77          3HG2      ILE  77  -3.041 -11.806   6.357
  645   HD11  ILE  77          3HD1      ILE  77  -3.796  -9.625   9.376
  646   HD12  ILE  77          1HD1      ILE  77  -4.199  -8.194   8.423
  647   HD13  ILE  77          2HD1      ILE  77  -3.161  -8.048   9.840
  648    HA   PRO  78           HA       PRO  78  -3.129  -7.928   5.363
  649    HB2  PRO  78           1HB      PRO  78  -3.766  -5.398   5.540
  650    HB3  PRO  78           2HB      PRO  78  -3.293  -6.271   7.006
  651    HG2  PRO  78           1HG      PRO  78  -1.754  -4.222   5.506
  652    HG3  PRO  78           2HG      PRO  78  -1.582  -4.752   7.185
  653    HD2  PRO  78           1HD      PRO  78  -0.050  -5.689   4.807
  654    HD3  PRO  78           2HD      PRO  78   0.289  -6.023   6.514
  655    H    ASP  79           H        ASP  79  -4.585  -7.179   3.804
  656    HA   ASP  79           HA       ASP  79  -3.253  -6.686   1.222
  657    HB2  ASP  79           1HB      ASP  79  -5.969  -8.000   1.664
  658    HB3  ASP  79           2HB      ASP  79  -5.002  -7.966   0.205
  659    H    VAL  80           H        VAL  80  -4.407  -5.339  -0.224
  660    HA   VAL  80           HA       VAL  80  -6.310  -3.425   1.069
  661    HB   VAL  80           HB       VAL  80  -4.040  -2.779  -0.848
  662   HG11  VAL  80          1HG1      VAL  80  -5.979  -1.296  -1.256
  663   HG12  VAL  80          2HG1      VAL  80  -4.751  -0.399  -0.395
  664   HG13  VAL  80          3HG1      VAL  80  -6.148  -1.009   0.473
  665   HG21  VAL  80          3HG2      VAL  80  -3.274  -3.245   1.477
  666   HG22  VAL  80          1HG2      VAL  80  -4.445  -2.084   2.097
  667   HG23  VAL  80          2HG2      VAL  80  -3.111  -1.528   1.094
  668    H    THR  81           H        THR  81  -8.004  -2.835  -0.065
  669    HA   THR  81           HA       THR  81  -8.289  -3.604  -2.928
  670    HB   THR  81           HB       THR  81 -10.437  -4.102  -0.815
  671    HG1  THR  81           HG1      THR  81  -9.768  -6.344  -1.530
  672   HG21  THR  81          3HG2      THR  81 -11.281  -3.732  -3.119
  673   HG22  THR  81          1HG2      THR  81 -11.452  -5.423  -2.666
  674   HG23  THR  81          2HG2      THR  81 -10.148  -4.932  -3.740
  675    H    TYR  82           H        TYR  82  -9.136  -1.997  -4.093
  676    HA   TYR  82           HA       TYR  82 -10.960  -0.024  -2.908
  677    HB2  TYR  82           1HB      TYR  82  -8.162   0.560  -3.249
  678    HB3  TYR  82           2HB      TYR  82  -8.980   1.466  -4.507
  679    HD1  TYR  82           HD1      TYR  82 -11.526   2.331  -3.385
  680    HD2  TYR  82           HD2      TYR  82  -7.709   2.031  -1.412
  681    HE1  TYR  82           HE1      TYR  82 -12.233   4.037  -1.778
  682    HE2  TYR  82           HE2      TYR  82  -8.484   3.736   0.197
  683    HH   TYR  82           HH       TYR  82 -10.380   4.714   1.056
  684    H    THR  83           H        THR  83 -11.209   1.761  -4.858
  685    HA   THR  83           HA       THR  83 -11.947   0.200  -7.297
  686    HB   THR  83           HB       THR  83 -13.585   2.452  -6.079
  687    HG1  THR  83           HG1      THR  83 -13.978   0.890  -4.718
  688   HG21  THR  83          3HG2      THR  83 -14.172   0.454  -8.304
  689   HG22  THR  83          1HG2      THR  83 -13.895   2.182  -8.523
  690   HG23  THR  83          2HG2      THR  83 -15.323   1.621  -7.665
  691    H    LEU  84           H        LEU  84 -10.660   0.843  -8.826
  692    HA   LEU  84           HA       LEU  84  -9.756   3.616  -8.987
  693    HB2  LEU  84           1HB      LEU  84  -8.236   1.672  -9.421
  694    HB3  LEU  84           2HB      LEU  84  -9.171   1.293 -10.811
  695    HG   LEU  84           HG       LEU  84  -8.646   3.619 -11.738
  696   HD11  LEU  84          1HD1      LEU  84  -6.623   4.769 -10.668
  697   HD12  LEU  84          2HD1      LEU  84  -6.821   3.697  -9.290
  698   HD13  LEU  84          3HD1      LEU  84  -8.079   4.840  -9.710
  699   HD21  LEU  84          3HD2      LEU  84  -6.343   1.726 -11.150
  700   HD22  LEU  84          1HD2      LEU  84  -6.254   3.065 -12.282
  701   HD23  LEU  84          2HD2      LEU  84  -7.384   1.745 -12.578
  702    H    LYS  85           H        LYS  85 -10.503   5.098 -10.431
  703    HA   LYS  85           HA       LYS  85 -12.412   4.268 -12.570
  704    HB2  LYS  85           1HB      LYS  85 -12.684   6.596 -10.637
  705    HB3  LYS  85           2HB      LYS  85 -13.714   6.330 -12.043
  706    HG2  LYS  85           1HG      LYS  85 -14.414   4.130 -11.124
  707    HG3  LYS  85           2HG      LYS  85 -13.388   4.397  -9.710
  708    HD2  LYS  85           1HD      LYS  85 -14.717   6.413  -9.122
  709    HD3  LYS  85           2HD      LYS  85 -15.748   6.141 -10.531
  710    HE2  LYS  85           1HE      LYS  85 -15.405   4.219  -8.193
  711    HE3  LYS  85           2HE      LYS  85 -16.819   5.232  -8.494
  712    HZ1  LYS  85           3HZ      LYS  85 -16.548   4.005 -10.847
  713    HZ2  LYS  85           1HZ      LYS  85 -17.534   3.426  -9.594
  714    HZ3  LYS  85           2HZ      LYS  85 -15.973   2.790  -9.808
  715    H    ALA  86           H        ALA  86 -12.666   5.805 -14.250
  716    HA   ALA  86           HA       ALA  86 -10.146   6.796 -15.209
  717    HB1  ALA  86           3HB      ALA  86 -11.814   5.733 -16.705
  718    HB2  ALA  86           1HB      ALA  86 -11.398   7.362 -17.243
  719    HB3  ALA  86           2HB      ALA  86 -12.924   7.066 -16.402
  720    H    LYS  87           H        LYS  87  -9.593   8.883 -15.731
  721    HA   LYS  87           HA       LYS  87 -10.257  10.869 -13.881
  722    HB2  LYS  87           1HB      LYS  87  -8.166  10.801 -15.252
  723    HB3  LYS  87           2HB      LYS  87  -9.104  11.243 -16.669
  724    HG2  LYS  87           1HG      LYS  87  -8.198  13.329 -15.912
  725    HG3  LYS  87           2HG      LYS  87  -9.834  13.370 -15.287
  726    HD2  LYS  87           1HD      LYS  87  -9.010  12.595 -13.075
  727    HD3  LYS  87           2HD      LYS  87  -7.370  12.530 -13.713
  728    HE2  LYS  87           1HE      LYS  87  -7.706  14.601 -12.454
  729    HE3  LYS  87           2HE      LYS  87  -7.510  14.978 -14.169
  730    HZ1  LYS  87           3HZ      LYS  87  -9.737  15.424 -14.415
  731    HZ2  LYS  87           1HZ      LYS  87  -9.454  16.010 -12.850
  732    HZ3  LYS  87           2HZ      LYS  87 -10.195  14.496 -13.067
  733    H    GLU  88           H        GLU  88 -11.775  12.433 -13.823
  734    HA   GLU  88           HA       GLU  88 -13.200  13.416 -16.124
  735    HB2  GLU  88           1HB      GLU  88 -15.452  12.532 -15.402
  736    HB3  GLU  88           2HB      GLU  88 -14.348  11.290 -15.987
  737    HG2  GLU  88           1HG      GLU  88 -13.744  10.772 -13.572
  738    HG3  GLU  88           2HG      GLU  88 -14.985  11.884 -13.059
  739    H    ASP  89           H        ASP  89 -12.487  15.387 -15.230
  740    HA   ASP  89           HA       ASP  89 -12.785  16.234 -12.652
  741    HB2  ASP  89           1HB      ASP  89 -12.960  17.924 -15.153
  742    HB3  ASP  89           2HB      ASP  89 -12.607  18.532 -13.534
  743    HA   PRO  90           HA       PRO  90 -17.240  16.936 -12.347
  744    HB2  PRO  90           1HB      PRO  90 -17.411  18.241  -9.984
  745    HB3  PRO  90           2HB      PRO  90 -16.757  16.585 -10.043
  746    HG2  PRO  90           1HG      PRO  90 -15.237  19.191  -9.961
  747    HG3  PRO  90           2HG      PRO  90 -14.990  17.740  -8.973
  748    HD2  PRO  90           1HD      PRO  90 -13.491  18.246 -11.250
  749    HD3  PRO  90           2HD      PRO  90 -13.869  16.622 -10.679
  750    H    LEU  91           H        LEU  91 -15.011  19.633 -12.206
  751    HA   LEU  91           HA       LEU  91 -16.879  21.768 -12.387
  752    HB2  LEU  91           1HB      LEU  91 -14.029  21.734 -13.478
  753    HB3  LEU  91           2HB      LEU  91 -14.959  23.149 -12.975
  754    HG   LEU  91           HG       LEU  91 -14.026  20.891 -11.156
  755   HD11  LEU  91          1HD1      LEU  91 -12.530  22.566 -10.170
  756   HD12  LEU  91          2HD1      LEU  91 -13.103  23.773 -11.322
  757   HD13  LEU  91          3HD1      LEU  91 -12.194  22.372 -11.890
  758   HD21  LEU  91          3HD2      LEU  91 -16.067  21.691 -10.176
  759   HD22  LEU  91          1HD2      LEU  91 -15.713  23.371 -10.589
  760   HD23  LEU  91          2HD2      LEU  91 -14.815  22.554  -9.308
  761    H    GLU  92           H        GLU  92 -15.126  20.007 -14.896
  762    HA   GLU  92           HA       GLU  92 -16.608  21.451 -17.011
  763    HB2  GLU  92           1HB      GLU  92 -14.407  19.354 -17.245
  764    HB3  GLU  92           2HB      GLU  92 -15.053  20.349 -18.552
  765    HG2  GLU  92           1HG      GLU  92 -13.609  21.424 -16.088
  766    HG3  GLU  92           2HG      GLU  92 -12.894  21.246 -17.685
  767    H    HIS  93           H        HIS  93 -17.336  20.033 -18.843
  768    HA   HIS  93           HA       HIS  93 -18.853  18.547 -19.637
  769    HB2  HIS  93           1HB      HIS  93 -16.949  16.976 -19.073
  770    HB3  HIS  93           2HB      HIS  93 -17.737  16.623 -17.543
  771    HD1  HIS  93           HD1      HIS  93 -18.674  16.641 -21.233
  772    HD2  HIS  93           HD2      HIS  93 -19.504  14.515 -17.748
  773    HE1  HIS  93           HE1      HIS  93 -20.199  14.740 -21.906
  774    HE2  HIS  93           HE2      HIS  93 -20.724  13.436 -19.790
  775    H    HIS  94           H        HIS  94 -18.864  17.456 -16.269
  776    HA   HIS  94           HA       HIS  94 -20.484  17.217 -14.717
  777    HB2  HIS  94           1HB      HIS  94 -20.394  19.746 -14.878
  778    HB3  HIS  94           2HB      HIS  94 -21.758  19.678 -15.988
  779    HD1  HIS  94           HD1      HIS  94 -24.077  19.223 -14.992
  780    HD2  HIS  94           HD2      HIS  94 -21.021  18.853 -12.186
  781    HE1  HIS  94           HE1      HIS  94 -25.202  19.016 -12.735
  782    HE2  HIS  94           HE2      HIS  94 -23.351  18.787 -11.011
  783    H    HIS  95           H        HIS  95 -20.846  15.539 -16.842
  784    HA   HIS  95           HA       HIS  95 -22.346  14.206 -17.932
  785    HB2  HIS  95           1HB      HIS  95 -24.224  15.220 -15.763
  786    HB3  HIS  95           2HB      HIS  95 -24.438  13.754 -16.719
  787    HD1  HIS  95           HD1      HIS  95 -22.440  11.940 -16.461
  788    HD2  HIS  95           HD2      HIS  95 -22.648  14.868 -13.504
  789    HE1  HIS  95           HE1      HIS  95 -21.070  11.085 -14.511
  790    HE2  HIS  95           HE2      HIS  95 -21.188  12.860 -12.698
  791    H    HIS  96           H        HIS  96 -22.366  15.461 -19.844
  792    HA   HIS  96           HA       HIS  96 -25.010  16.530 -20.520
  793    HB2  HIS  96           1HB      HIS  96 -22.503  18.262 -20.501
  794    HB3  HIS  96           2HB      HIS  96 -23.923  18.680 -21.460
  795    HD1  HIS  96           HD1      HIS  96 -22.526  19.491 -18.333
  796    HD2  HIS  96           HD2      HIS  96 -26.369  18.431 -19.541
  797    HE1  HIS  96           HE1      HIS  96 -24.100  20.328 -16.535
  798    HE2  HIS  96           HE2      HIS  96 -26.447  19.680 -17.253
  799    H    HIS  97           H        HIS  97 -25.471  16.430 -22.635
  800    HA   HIS  97           HA       HIS  97 -25.419  15.601 -24.750
  801    HB2  HIS  97           1HB      HIS  97 -23.865  17.563 -24.991
  802    HB3  HIS  97           2HB      HIS  97 -22.503  16.492 -24.679
  803    HD1  HIS  97           HD1      HIS  97 -25.515  16.482 -27.037
  804    HD2  HIS  97           HD2      HIS  97 -21.457  15.532 -27.041
  805    HE1  HIS  97           HE1      HIS  97 -24.965  15.709 -29.383
  806    HE2  HIS  97           HE2      HIS  97 -22.493  15.125 -29.403
  807    H    HIS  98           H        HIS  98 -24.926  13.771 -22.622
  808    HA   HIS  98           HA       HIS  98 -24.257  11.633 -22.200
  809    HB2  HIS  98           1HB      HIS  98 -23.978  11.491 -25.229
  810    HB3  HIS  98           2HB      HIS  98 -24.108  10.119 -24.135
  811    HD1  HIS  98           HD1      HIS  98 -26.116  12.950 -25.593
  812    HD2  HIS  98           HD2      HIS  98 -26.727   9.599 -23.188
  813    HE1  HIS  98           HE1      HIS  98 -28.623  12.642 -25.415
  814    HE2  HIS  98           HE2      HIS  98 -29.012  10.605 -23.952
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1  -3.423  20.453  11.609
    2    H2   MET   1           2H       MET   1  -3.582  22.130  11.818
    3    H3   MET   1           3H       MET   1  -2.712  21.209  12.953
    4    HA   MET   1           HA       MET   1  -1.274  22.481  11.439
    5    HB2  MET   1           1HB      MET   1   0.151  20.472  10.763
    6    HB3  MET   1           2HB      MET   1  -0.308  20.500  12.461
    7    HG2  MET   1           1HG      MET   1  -1.948  18.937  10.416
    8    HG3  MET   1           2HG      MET   1  -0.569  18.225  11.238
    9    HE1  MET   1           3HE      MET   1  -1.934  16.324  12.196
   10    HE2  MET   1           1HE      MET   1  -3.367  16.935  11.354
   11    HE3  MET   1           2HE      MET   1  -3.463  16.494  13.056
   12    H    LYS   2           H        LYS   2  -0.279  22.370   9.239
   13    HA   LYS   2           HA       LYS   2  -2.250  22.729   7.219
   14    HB2  LYS   2           1HB      LYS   2   0.752  22.328   6.908
   15    HB3  LYS   2           2HB      LYS   2  -0.326  23.017   5.693
   16    HG2  LYS   2           1HG      LYS   2   0.151  24.261   8.444
   17    HG3  LYS   2           2HG      LYS   2   1.006  24.739   6.980
   18    HD2  LYS   2           1HD      LYS   2  -1.196  25.349   5.932
   19    HD3  LYS   2           2HD      LYS   2  -2.000  24.974   7.454
   20    HE2  LYS   2           1HE      LYS   2  -1.593  27.382   7.313
   21    HE3  LYS   2           2HE      LYS   2  -0.618  26.685   8.609
   22    HZ1  LYS   2           3HZ      LYS   2   1.303  26.768   7.293
   23    HZ2  LYS   2           1HZ      LYS   2   0.537  28.259   7.027
   24    HZ3  LYS   2           2HZ      LYS   2   0.428  27.029   5.860
   25    H    THR   3           H        THR   3  -0.021  20.067   7.911
   26    HA   THR   3           HA       THR   3  -0.684  18.473   5.639
   27    HB   THR   3           HB       THR   3   0.415  16.648   6.884
   28    HG1  THR   3           HG1      THR   3   0.913  16.905   9.018
   29   HG21  THR   3          3HG2      THR   3   1.857  18.384   5.835
   30   HG22  THR   3          1HG2      THR   3   2.586  17.747   7.311
   31   HG23  THR   3          2HG2      THR   3   1.802  19.324   7.330
   32    H    LEU   4           H        LEU   4  -2.918  18.336   5.407
   33    HA   LEU   4           HA       LEU   4  -4.771  17.718   7.455
   34    HB2  LEU   4           1HB      LEU   4  -5.038  17.157   4.475
   35    HB3  LEU   4           2HB      LEU   4  -6.356  17.350   5.636
   36    HG   LEU   4           HG       LEU   4  -4.361  19.517   4.828
   37   HD11  LEU   4          1HD1      LEU   4  -5.984  18.972   3.045
   38   HD12  LEU   4          2HD1      LEU   4  -6.304  20.569   3.714
   39   HD13  LEU   4          3HD1      LEU   4  -7.319  19.202   4.178
   40   HD21  LEU   4          3HD2      LEU   4  -4.996  20.068   7.063
   41   HD22  LEU   4          1HD2      LEU   4  -6.657  19.529   6.829
   42   HD23  LEU   4          2HD2      LEU   4  -6.089  21.023   6.082
   43    H    TYR   5           H        TYR   5  -2.912  15.674   5.270
   44    HA   TYR   5           HA       TYR   5  -3.528  13.302   6.932
   45    HB2  TYR   5           1HB      TYR   5  -3.913  13.381   3.912
   46    HB3  TYR   5           2HB      TYR   5  -4.025  11.940   4.919
   47    HD1  TYR   5           HD1      TYR   5  -5.799  11.804   6.745
   48    HD2  TYR   5           HD2      TYR   5  -5.830  14.914   3.755
   49    HE1  TYR   5           HE1      TYR   5  -8.176  12.286   7.260
   50    HE2  TYR   5           HE2      TYR   5  -8.208  15.379   4.280
   51    HH   TYR   5           HH       TYR   5 -10.208  13.719   5.413
   52    H    ASP   6           H        ASP   6  -1.748  12.119   7.257
   53    HA   ASP   6           HA       ASP   6   0.806  12.885   6.160
   54    HB2  ASP   6           1HB      ASP   6   1.666  10.991   7.541
   55    HB3  ASP   6           2HB      ASP   6   0.616  12.065   8.466
   56    H    LEU   7           H        LEU   7  -1.552  10.382   5.478
   57    HA   LEU   7           HA       LEU   7  -1.666   8.741   3.879
   58    HB2  LEU   7           1HB      LEU   7   0.233  10.550   2.338
   59    HB3  LEU   7           2HB      LEU   7  -0.861   9.354   1.654
   60    HG   LEU   7           HG       LEU   7  -1.770  11.837   3.197
   61   HD11  LEU   7          1HD1      LEU   7  -1.776  11.303   0.195
   62   HD12  LEU   7          2HD1      LEU   7  -0.719  12.439   1.033
   63   HD13  LEU   7          3HD1      LEU   7  -2.456  12.729   0.986
   64   HD21  LEU   7          3HD2      LEU   7  -3.312   9.695   1.654
   65   HD22  LEU   7          1HD2      LEU   7  -4.024  11.235   2.131
   66   HD23  LEU   7          2HD2      LEU   7  -3.481  10.113   3.354
   67    HA   PRO   8           HA       PRO   8   2.411   6.964   5.401
   68    HB2  PRO   8           1HB      PRO   8   0.485   4.628   5.675
   69    HB3  PRO   8           2HB      PRO   8   1.809   5.111   6.766
   70    HG2  PRO   8           1HG      PRO   8  -0.666   5.699   7.462
   71    HG3  PRO   8           2HG      PRO   8   0.579   6.961   7.610
   72    HD2  PRO   8           1HD      PRO   8  -1.485   6.631   5.397
   73    HD3  PRO   8           2HD      PRO   8  -1.020   8.112   6.271
   74    H    ILE   9           H        ILE   9  -0.033   5.273   3.464
   75    HA   ILE   9           HA       ILE   9   1.959   3.831   1.872
   76    HB   ILE   9           HB       ILE   9  -1.075   4.010   1.637
   77   HG12  ILE   9          1HG1      ILE   9   0.660   1.774   2.799
   78   HG13  ILE   9          2HG1      ILE   9  -0.157   2.978   3.785
   79   HG21  ILE   9          1HG2      ILE   9   0.943   2.151   0.272
   80   HG22  ILE   9          2HG2      ILE   9  -0.090   3.317  -0.541
   81   HG23  ILE   9          3HG2      ILE   9  -0.797   1.904   0.225
   82   HD11  ILE   9          3HD1      ILE   9  -1.562   1.055   1.907
   83   HD12  ILE   9          1HD1      ILE   9  -2.333   2.235   2.965
   84   HD13  ILE   9          2HD1      ILE   9  -1.449   0.872   3.656
   85    H    VAL  10           H        VAL  10   2.748   4.462  -0.003
   86    HA   VAL  10           HA       VAL  10   1.650   6.905  -1.319
   87    HB   VAL  10           HB       VAL  10   4.061   6.921  -0.491
   88   HG11  VAL  10          1HG1      VAL  10   4.640   5.111  -2.861
   89   HG12  VAL  10          2HG1      VAL  10   4.558   4.550  -1.199
   90   HG13  VAL  10          3HG1      VAL  10   5.788   5.713  -1.667
   91   HG21  VAL  10          3HG2      VAL  10   4.943   8.026  -2.560
   92   HG22  VAL  10          1HG2      VAL  10   3.275   8.515  -2.236
   93   HG23  VAL  10          2HG2      VAL  10   3.618   7.309  -3.478
   94    H    LEU  11           H        LEU  11   1.104   6.885  -3.446
   95    HA   LEU  11           HA       LEU  11   0.820   4.208  -4.716
   96    HB2  LEU  11           1HB      LEU  11  -1.120   5.977  -4.329
   97    HB3  LEU  11           2HB      LEU  11  -0.515   6.692  -5.796
   98    HG   LEU  11           HG       LEU  11  -2.235   5.218  -6.578
   99   HD11  LEU  11          1HD1      LEU  11   0.038   4.730  -7.714
  100   HD12  LEU  11          2HD1      LEU  11  -1.227   3.570  -7.897
  101   HD13  LEU  11          3HD1      LEU  11   0.075   3.244  -6.788
  102   HD21  LEU  11          3HD2      LEU  11  -2.628   2.935  -5.766
  103   HD22  LEU  11          1HD2      LEU  11  -2.623   4.061  -4.409
  104   HD23  LEU  11          2HD2      LEU  11  -1.226   3.037  -4.718
  105    H    ARG  12           H        ARG  12   2.252   3.643  -6.177
  106    HA   ARG  12           HA       ARG  12   3.827   5.696  -7.650
  107    HB2  ARG  12           1HB      ARG  12   5.089   4.027  -6.326
  108    HB3  ARG  12           2HB      ARG  12   4.368   2.733  -7.276
  109    HG2  ARG  12           1HG      ARG  12   5.426   3.618  -9.328
  110    HG3  ARG  12           2HG      ARG  12   6.072   4.988  -8.431
  111    HD2  ARG  12           1HD      ARG  12   7.440   3.454  -7.067
  112    HD3  ARG  12           2HD      ARG  12   6.771   2.068  -7.935
  113    HE   ARG  12           HE       ARG  12   8.846   3.849  -8.862
  114   HH11  ARG  12          1HH2      ARG  12   6.227   1.796  -9.875
  115   HH12  ARG  12          2HH2      ARG  12   6.826   1.600 -11.485
  116   HH21  ARG  12          1HH1      ARG  12   9.617   3.592 -10.983
  117   HH22  ARG  12          2HH1      ARG  12   8.742   2.612 -12.110
  118    H    ASN  13           H        ASN  13   4.047   5.586  -9.892
  119    HA   ASN  13           HA       ASN  13   3.512   5.203 -12.062
  120    HB2  ASN  13           1HB      ASN  13   3.688   2.728 -11.360
  121    HB3  ASN  13           2HB      ASN  13   1.930   2.719 -11.281
  122   HD21  ASN  13          2HD2      ASN  13   4.683   2.664 -13.439
  123   HD22  ASN  13          1HD2      ASN  13   3.786   2.594 -14.878
  124    H    LEU  14           H        LEU  14   1.201   5.538  -9.603
  125    HA   LEU  14           HA       LEU  14  -1.297   5.543 -10.353
  126    HB2  LEU  14           1HB      LEU  14  -0.617   6.860  -8.426
  127    HB3  LEU  14           2HB      LEU  14   0.059   8.092  -9.454
  128    HG   LEU  14           HG       LEU  14  -2.115   8.858 -10.173
  129   HD11  LEU  14          1HD1      LEU  14  -3.337   6.873 -10.687
  130   HD12  LEU  14          2HD1      LEU  14  -4.276   7.674  -9.439
  131   HD13  LEU  14          3HD1      LEU  14  -3.253   6.296  -9.024
  132   HD21  LEU  14          3HD2      LEU  14  -2.358   8.138  -7.234
  133   HD22  LEU  14          1HD2      LEU  14  -3.256   9.418  -8.054
  134   HD23  LEU  14          2HD2      LEU  14  -1.506   9.542  -7.875
  135    HA   PRO  15           HA       PRO  15  -0.856   7.468 -14.593
  136    HB2  PRO  15           1HB      PRO  15  -3.461   5.994 -15.033
  137    HB3  PRO  15           2HB      PRO  15  -2.019   6.049 -16.072
  138    HG2  PRO  15           1HG      PRO  15  -2.513   3.860 -14.677
  139    HG3  PRO  15           2HG      PRO  15  -0.856   4.495 -14.746
  140    HD2  PRO  15           1HD      PRO  15  -2.881   4.852 -12.498
  141    HD3  PRO  15           2HD      PRO  15  -1.177   4.334 -12.395
  142    H    GLU  16           H        GLU  16  -1.554   9.543 -14.800
  143    HA   GLU  16           HA       GLU  16  -3.380  10.828 -13.204
  144    HB2  GLU  16           1HB      GLU  16  -3.340  12.628 -14.893
  145    HB3  GLU  16           2HB      GLU  16  -1.724  11.979 -14.610
  146    HG2  GLU  16           1HG      GLU  16  -2.160  10.448 -16.689
  147    HG3  GLU  16           2HG      GLU  16  -3.530  11.501 -17.032
  148    H    ASP  17           H        ASP  17  -4.026   9.630 -16.510
  149    HA   ASP  17           HA       ASP  17  -6.631  10.288 -16.872
  150    HB2  ASP  17           1HB      ASP  17  -5.393   7.605 -17.553
  151    HB3  ASP  17           2HB      ASP  17  -6.802   8.322 -18.335
  152    H    LEU  18           H        LEU  18  -5.446   8.049 -14.536
  153    HA   LEU  18           HA       LEU  18  -8.212   7.193 -13.770
  154    HB2  LEU  18           1HB      LEU  18  -5.600   5.756 -13.163
  155    HB3  LEU  18           2HB      LEU  18  -7.230   5.163 -12.864
  156    HG   LEU  18           HG       LEU  18  -5.997   5.685 -15.603
  157   HD11  LEU  18          1HD1      LEU  18  -5.180   3.613 -14.312
  158   HD12  LEU  18          2HD1      LEU  18  -5.867   3.317 -15.897
  159   HD13  LEU  18          3HD1      LEU  18  -6.824   2.983 -14.463
  160   HD21  LEU  18          3HD2      LEU  18  -8.795   4.810 -14.789
  161   HD22  LEU  18          1HD2      LEU  18  -8.152   4.415 -16.384
  162   HD23  LEU  18          2HD2      LEU  18  -8.334   6.093 -15.904
  163    H    VAL  19           H        VAL  19  -8.798   7.368 -11.649
  164    HA   VAL  19           HA       VAL  19  -6.909   8.600  -9.685
  165    HB   VAL  19           HB       VAL  19  -8.600  10.306  -9.032
  166   HG11  VAL  19          1HG1      VAL  19  -6.833  10.906 -10.683
  167   HG12  VAL  19          2HG1      VAL  19  -8.323  11.805 -10.970
  168   HG13  VAL  19          3HG1      VAL  19  -7.911  10.443 -11.999
  169   HG21  VAL  19          3HG2      VAL  19 -10.551  10.730 -10.570
  170   HG22  VAL  19          1HG2      VAL  19 -10.665   9.169  -9.760
  171   HG23  VAL  19          2HG2      VAL  19 -10.145   9.251 -11.442
  172    H    LEU  20           H        LEU  20  -7.443   8.326  -7.553
  173    HA   LEU  20           HA       LEU  20  -9.083   5.961  -6.966
  174    HB2  LEU  20           1HB      LEU  20  -6.601   6.872  -6.036
  175    HB3  LEU  20           2HB      LEU  20  -7.657   7.335  -4.713
  176    HG   LEU  20           HG       LEU  20  -7.346   4.528  -5.868
  177   HD11  LEU  20          1HD1      LEU  20  -6.358   4.018  -3.655
  178   HD12  LEU  20          2HD1      LEU  20  -6.551   5.706  -3.184
  179   HD13  LEU  20          3HD1      LEU  20  -5.440   5.274  -4.485
  180   HD21  LEU  20          3HD2      LEU  20  -9.353   5.691  -3.949
  181   HD22  LEU  20          1HD2      LEU  20  -8.750   4.078  -3.600
  182   HD23  LEU  20          2HD2      LEU  20  -9.548   4.409  -5.126
  183    H    GLU  21           H        GLU  21 -11.061   6.065  -6.030
  184    HA   GLU  21           HA       GLU  21 -12.506   8.489  -5.793
  185    HB2  GLU  21           1HB      GLU  21 -14.254   7.075  -4.653
  186    HB3  GLU  21           2HB      GLU  21 -13.698   6.420  -6.195
  187    HG2  GLU  21           1HG      GLU  21 -12.182   4.861  -5.018
  188    HG3  GLU  21           2HG      GLU  21 -12.675   5.515  -3.469
  189    H    LYS  22           H        LYS  22 -10.820   6.574  -3.361
  190    HA   LYS  22           HA       LYS  22 -10.939   8.865  -1.495
  191    HB2  LYS  22           1HB      LYS  22 -11.844   6.089  -0.665
  192    HB3  LYS  22           2HB      LYS  22 -11.685   7.473   0.404
  193    HG2  LYS  22           1HG      LYS  22 -13.380   8.705  -1.047
  194    HG3  LYS  22           2HG      LYS  22 -13.637   7.192  -1.918
  195    HD2  LYS  22           1HD      LYS  22 -14.358   6.085   0.163
  196    HD3  LYS  22           2HD      LYS  22 -14.079   7.574   1.067
  197    HE2  LYS  22           1HE      LYS  22 -15.792   8.736  -0.294
  198    HE3  LYS  22           2HE      LYS  22 -16.064   7.260  -1.223
  199    HZ1  LYS  22           3HZ      LYS  22 -17.684   7.076   0.336
  200    HZ2  LYS  22           1HZ      LYS  22 -16.801   7.882   1.539
  201    HZ3  LYS  22           2HZ      LYS  22 -16.430   6.270   1.150
  202    HA   PRO  23           HA       PRO  23  -6.663   7.815  -0.679
  203    HB2  PRO  23           1HB      PRO  23  -7.385   8.048   2.258
  204    HB3  PRO  23           2HB      PRO  23  -5.979   8.728   1.399
  205    HG2  PRO  23           1HG      PRO  23  -8.024  10.306   1.985
  206    HG3  PRO  23           2HG      PRO  23  -7.267  10.409   0.380
  207    HD2  PRO  23           1HD      PRO  23  -9.893   9.113   1.122
  208    HD3  PRO  23           2HD      PRO  23  -9.466  10.045  -0.327
  209    H    LEU  24           H        LEU  24  -5.343   6.119   0.088
  210    HA   LEU  24           HA       LEU  24  -6.208   3.585  -0.092
  211    HB2  LEU  24           1HB      LEU  24  -3.876   4.686   1.449
  212    HB3  LEU  24           2HB      LEU  24  -4.150   2.951   1.402
  213    HG   LEU  24           HG       LEU  24  -2.524   3.653  -0.300
  214   HD11  LEU  24          1HD1      LEU  24  -3.288   2.391  -2.096
  215   HD12  LEU  24          2HD1      LEU  24  -4.961   2.821  -1.882
  216   HD13  LEU  24          3HD1      LEU  24  -4.181   1.718  -0.746
  217   HD21  LEU  24          3HD2      LEU  24  -3.475   5.969  -0.653
  218   HD22  LEU  24          1HD2      LEU  24  -4.736   5.227  -1.633
  219   HD23  LEU  24          2HD2      LEU  24  -3.059   5.123  -2.142
  220    HA   PRO  25           HA       PRO  25  -8.913   2.711   3.428
  221    HB2  PRO  25           1HB      PRO  25  -7.645  -0.046   3.201
  222    HB3  PRO  25           2HB      PRO  25  -9.360   0.367   3.445
  223    HG2  PRO  25           1HG      PRO  25  -8.554  -0.327   1.031
  224    HG3  PRO  25           2HG      PRO  25  -9.620   1.089   1.214
  225    HD2  PRO  25           1HD      PRO  25  -6.628   1.058   0.699
  226    HD3  PRO  25           2HD      PRO  25  -7.891   2.134   0.038
  227    H    GLU  26           H        GLU  26  -5.559   1.592   3.545
  228    HA   GLU  26           HA       GLU  26  -3.985   1.519   5.180
  229    HB2  GLU  26           1HB      GLU  26  -4.622   3.914   5.497
  230    HB3  GLU  26           2HB      GLU  26  -5.787   3.435   6.719
  231    HG2  GLU  26           1HG      GLU  26  -3.962   2.465   8.095
  232    HG3  GLU  26           2HG      GLU  26  -2.793   2.927   6.860
  233    H    VAL  27           H        VAL  27  -3.519   0.009   6.680
  234    HA   VAL  27           HA       VAL  27  -5.435  -0.873   8.702
  235    HB   VAL  27           HB       VAL  27  -6.191  -2.069   6.714
  236   HG11  VAL  27          1HG1      VAL  27  -3.404  -3.285   6.500
  237   HG12  VAL  27          2HG1      VAL  27  -3.978  -1.987   5.461
  238   HG13  VAL  27          3HG1      VAL  27  -4.767  -3.553   5.415
  239   HG21  VAL  27          3HG2      VAL  27  -4.654  -4.012   8.506
  240   HG22  VAL  27          1HG2      VAL  27  -6.120  -4.342   7.592
  241   HG23  VAL  27          2HG2      VAL  27  -6.173  -3.243   8.965
  242    H    SER  28           H        SER  28  -4.495  -2.435  10.167
  243    HA   SER  28           HA       SER  28  -1.658  -1.867  10.691
  244    HB2  SER  28           1HB      SER  28  -3.291  -1.774  12.536
  245    HB3  SER  28           2HB      SER  28  -3.709  -3.462  12.263
  246    HG   SER  28           HG       SER  28  -2.075  -2.983  13.933
  247    H    VAL  29           H        VAL  29  -0.301  -3.703  11.496
  248    HA   VAL  29           HA       VAL  29  -0.693  -6.303  10.099
  249    HB   VAL  29           HB       VAL  29   0.565  -4.910   8.529
  250   HG11  VAL  29          1HG1      VAL  29   1.491  -3.266  10.141
  251   HG12  VAL  29          2HG1      VAL  29   2.750  -3.921   9.097
  252   HG13  VAL  29          3HG1      VAL  29   2.590  -4.502  10.750
  253   HG21  VAL  29          3HG2      VAL  29   2.477  -6.364   8.158
  254   HG22  VAL  29          1HG2      VAL  29   1.198  -7.368   8.831
  255   HG23  VAL  29          2HG2      VAL  29   2.539  -6.829   9.846
  256    H    THR  30           H        THR  30   0.823  -7.948  10.887
  257    HA   THR  30           HA       THR  30   1.772  -7.428  13.690
  258    HB   THR  30           HB       THR  30   0.820 -10.093  12.530
  259    HG1  THR  30           HG1      THR  30  -1.102  -9.284  12.790
  260   HG21  THR  30          3HG2      THR  30   1.207  -9.124  15.395
  261   HG22  THR  30          1HG2      THR  30   2.314 -10.192  14.540
  262   HG23  THR  30          2HG2      THR  30   0.680 -10.733  14.909
  263    H    ILE  31           H        ILE  31   3.905  -7.651  13.972
  264    HA   ILE  31           HA       ILE  31   5.541  -9.380  12.171
  265    HB   ILE  31           HB       ILE  31   6.268  -6.612  13.207
  266   HG12  ILE  31          1HG1      ILE  31   4.645  -6.599  11.298
  267   HG13  ILE  31          2HG1      ILE  31   6.199  -5.938  10.841
  268   HG21  ILE  31          1HG2      ILE  31   8.315  -6.946  11.743
  269   HG22  ILE  31          2HG2      ILE  31   7.820  -8.627  11.559
  270   HG23  ILE  31          3HG2      ILE  31   8.271  -8.014  13.147
  271   HD11  ILE  31          3HD1      ILE  31   5.900  -7.264   9.022
  272   HD12  ILE  31          1HD1      ILE  31   4.787  -8.333   9.843
  273   HD13  ILE  31          2HD1      ILE  31   6.517  -8.556  10.032
  274    H    ARG  32           H        ARG  32   7.287 -10.379  13.119
  275    HA   ARG  32           HA       ARG  32   7.406 -10.450  16.124
  276    HB2  ARG  32           1HB      ARG  32   7.629 -12.699  14.095
  277    HB3  ARG  32           2HB      ARG  32   8.093 -12.882  15.790
  278    HG2  ARG  32           1HG      ARG  32   5.789 -12.315  16.501
  279    HG3  ARG  32           2HG      ARG  32   5.318 -12.091  14.823
  280    HD2  ARG  32           1HD      ARG  32   4.651 -14.337  15.620
  281    HD3  ARG  32           2HD      ARG  32   5.868 -14.471  14.349
  282    HE   ARG  32           HE       ARG  32   7.104 -14.352  16.921
  283   HH11  ARG  32          1HH2      ARG  32   5.319 -16.476  14.834
  284   HH12  ARG  32          2HH2      ARG  32   5.989 -17.919  15.515
  285   HH21  ARG  32          1HH1      ARG  32   7.978 -16.219  17.799
  286   HH22  ARG  32          2HH1      ARG  32   7.502 -17.772  17.202
  287    H    ALA  33           H        ALA  33   9.254  -9.705  16.829
  288    HA   ALA  33           HA       ALA  33  11.792 -10.584  15.823
  289    HB1  ALA  33           3HB      ALA  33  12.257  -8.938  14.280
  290    HB2  ALA  33           1HB      ALA  33  11.964  -7.681  15.485
  291    HB3  ALA  33           2HB      ALA  33  10.639  -8.289  14.510
  292    H    TYR  34           H        TYR  34  13.575  -9.172  16.885
  293    HA   TYR  34           HA       TYR  34  13.195  -9.401  19.694
  294    HB2  TYR  34           1HB      TYR  34  15.419  -8.221  17.994
  295    HB3  TYR  34           2HB      TYR  34  15.540  -8.343  19.732
  296    HD1  TYR  34           HD1      TYR  34  15.623 -10.560  20.877
  297    HD2  TYR  34           HD2      TYR  34  15.543 -10.273  16.575
  298    HE1  TYR  34           HE1      TYR  34  16.316 -12.934  20.695
  299    HE2  TYR  34           HE2      TYR  34  16.241 -12.656  16.416
  300    HH   TYR  34           HH       TYR  34  16.778 -14.612  19.346
  301    HA   PRO  35           HA       PRO  35  11.690  -5.249  20.503
  302    HB2  PRO  35           1HB      PRO  35  12.376  -4.831  23.114
  303    HB3  PRO  35           2HB      PRO  35  11.151  -6.033  22.653
  304    HG2  PRO  35           1HG      PRO  35  14.083  -6.493  23.236
  305    HG3  PRO  35           2HG      PRO  35  12.672  -7.372  23.879
  306    HD2  PRO  35           1HD      PRO  35  14.069  -8.366  21.768
  307    HD3  PRO  35           2HD      PRO  35  12.308  -8.550  21.839
  308    H    GLU  36           H        GLU  36  15.068  -6.000  20.942
  309    HA   GLU  36           HA       GLU  36  16.090  -3.392  21.440
  310    HB2  GLU  36           1HB      GLU  36  18.264  -4.352  21.107
  311    HB3  GLU  36           2HB      GLU  36  17.263  -5.668  21.718
  312    HG2  GLU  36           1HG      GLU  36  16.866  -6.309  19.228
  313    HG3  GLU  36           2HG      GLU  36  18.187  -5.204  18.859
  314    H    ILE  37           H        ILE  37  15.489  -5.135  18.405
  315    HA   ILE  37           HA       ILE  37  16.457  -2.860  16.783
  316    HB   ILE  37           HB       ILE  37  15.941  -4.213  14.805
  317   HG12  ILE  37          1HG1      ILE  37  14.723  -6.168  16.805
  318   HG13  ILE  37          2HG1      ILE  37  13.885  -5.356  15.494
  319   HG21  ILE  37          1HG2      ILE  37  17.652  -5.873  15.082
  320   HG22  ILE  37          2HG2      ILE  37  17.301  -6.093  16.791
  321   HG23  ILE  37          3HG2      ILE  37  18.093  -4.617  16.238
  322   HD11  ILE  37          3HD1      ILE  37  15.895  -7.608  15.347
  323   HD12  ILE  37          1HD1      ILE  37  15.545  -6.616  13.925
  324   HD13  ILE  37          2HD1      ILE  37  14.269  -7.552  14.685
  325    H    LEU  38           H        LEU  38  13.383  -4.258  17.776
  326    HA   LEU  38           HA       LEU  38  11.732  -2.654  16.033
  327    HB2  LEU  38           1HB      LEU  38  11.097  -4.018  18.640
  328    HB3  LEU  38           2HB      LEU  38   9.880  -3.227  17.678
  329    HG   LEU  38           HG       LEU  38  11.618  -5.462  16.516
  330   HD11  LEU  38          1HD1      LEU  38   9.726  -7.024  16.977
  331   HD12  LEU  38          2HD1      LEU  38   8.897  -5.732  17.847
  332   HD13  LEU  38          3HD1      LEU  38  10.412  -6.381  18.468
  333   HD21  LEU  38          3HD2      LEU  38   8.925  -4.285  15.687
  334   HD22  LEU  38          1HD2      LEU  38   9.650  -5.695  14.928
  335   HD23  LEU  38          2HD2      LEU  38  10.433  -4.138  14.798
  336    H    ASN  39           H        ASN  39  13.066  -2.159  19.246
  337    HA   ASN  39           HA       ASN  39  11.627   0.320  19.770
  338    HB2  ASN  39           1HB      ASN  39  14.059  -0.950  21.084
  339    HB3  ASN  39           2HB      ASN  39  13.268   0.508  21.682
  340   HD21  ASN  39          2HD2      ASN  39  13.473  -2.056  23.125
  341   HD22  ASN  39          1HD2      ASN  39  11.882  -2.579  23.388
  342    H    ASN  40           H        ASN  40  14.255  -0.541  17.818
  343    HA   ASN  40           HA       ASN  40  15.469   2.176  17.846
  344    HB2  ASN  40           1HB      ASN  40  16.962   0.181  18.092
  345    HB3  ASN  40           2HB      ASN  40  16.427  -0.397  16.520
  346   HD21  ASN  40          2HD2      ASN  40  17.745   0.273  14.794
  347   HD22  ASN  40          1HD2      ASN  40  18.761   1.633  14.820
  348    H    LEU  41           H        LEU  41  13.810  -0.182  15.779
  349    HA   LEU  41           HA       LEU  41  14.153   1.147  13.327
  350    HB2  LEU  41           1HB      LEU  41  12.973  -1.280  14.107
  351    HB3  LEU  41           2HB      LEU  41  11.579  -0.384  13.575
  352    HG   LEU  41           HG       LEU  41  14.097  -0.894  11.940
  353   HD11  LEU  41          1HD1      LEU  41  12.651  -2.370  10.568
  354   HD12  LEU  41          2HD1      LEU  41  11.306  -2.064  11.678
  355   HD13  LEU  41          3HD1      LEU  41  12.733  -2.928  12.248
  356   HD21  LEU  41          3HD2      LEU  41  12.531  -0.017  10.057
  357   HD22  LEU  41          1HD2      LEU  41  13.226   1.159  11.150
  358   HD23  LEU  41          2HD2      LEU  41  11.554   0.660  11.348
  359    H    THR  42           H        THR  42  12.912   2.658  12.247
  360    HA   THR  42           HA       THR  42  10.742   4.048  13.799
  361    HB   THR  42           HB       THR  42  12.665   5.515  13.787
  362    HG1  THR  42           HG1      THR  42  11.635   6.915  11.854
  363   HG21  THR  42          3HG2      THR  42  13.826   6.174  11.737
  364   HG22  THR  42          1HG2      THR  42  12.737   5.182  10.776
  365   HG23  THR  42          2HG2      THR  42  13.886   4.418  11.880
  366    H    LYS  43           H        LYS  43   8.995   4.754  12.669
  367    HA   LYS  43           HA       LYS  43   8.034   3.239  10.551
  368    HB2  LYS  43           1HB      LYS  43   7.287   6.056  11.391
  369    HB3  LYS  43           2HB      LYS  43   6.299   5.031  10.342
  370    HG2  LYS  43           1HG      LYS  43   6.088   3.353  12.147
  371    HG3  LYS  43           2HG      LYS  43   7.107   4.337  13.203
  372    HD2  LYS  43           1HD      LYS  43   5.460   6.171  13.117
  373    HD3  LYS  43           2HD      LYS  43   4.436   5.221  12.033
  374    HE2  LYS  43           1HE      LYS  43   3.606   5.059  14.349
  375    HE3  LYS  43           2HE      LYS  43   4.200   3.488  13.809
  376    HZ1  LYS  43           3HZ      LYS  43   4.928   4.472  16.095
  377    HZ2  LYS  43           1HZ      LYS  43   6.053   5.323  15.154
  378    HZ3  LYS  43           2HZ      LYS  43   6.040   3.624  15.130
  379    H    GLU  44           H        GLU  44   9.745   6.340  10.434
  380    HA   GLU  44           HA       GLU  44   9.380   7.004   7.732
  381    HB2  GLU  44           1HB      GLU  44  11.812   7.521   9.490
  382    HB3  GLU  44           2HB      GLU  44  11.417   8.384   7.997
  383    HG2  GLU  44           1HG      GLU  44   9.293   9.171   9.024
  384    HG3  GLU  44           2HG      GLU  44   9.704   8.331  10.518
  385    H    GLN  45           H        GLN  45  11.331   4.511   9.141
  386    HA   GLN  45           HA       GLN  45  13.140   4.185   6.892
  387    HB2  GLN  45           1HB      GLN  45  13.721   3.572   9.243
  388    HB3  GLN  45           2HB      GLN  45  12.556   2.264   9.141
  389    HG2  GLN  45           1HG      GLN  45  13.842   1.270   7.260
  390    HG3  GLN  45           2HG      GLN  45  14.994   2.591   7.345
  391   HE21  GLN  45          2HE2      GLN  45  16.342   2.727   9.368
  392   HE22  GLN  45          1HE2      GLN  45  16.620   1.317  10.270
  393    H    ILE  46           H        ILE  46  10.181   2.551   8.015
  394    HA   ILE  46           HA       ILE  46  10.211   0.422   6.163
  395    HB   ILE  46           HB       ILE  46   7.652   1.714   7.207
  396   HG12  ILE  46          1HG1      ILE  46   9.153   1.558   9.159
  397   HG13  ILE  46          2HG1      ILE  46   7.878   0.369   9.282
  398   HG21  ILE  46          1HG2      ILE  46   8.369  -1.223   6.755
  399   HG22  ILE  46          2HG2      ILE  46   7.521  -0.224   5.598
  400   HG23  ILE  46          3HG2      ILE  46   6.785  -0.564   7.157
  401   HD11  ILE  46          3HD1      ILE  46   9.476  -1.358   8.449
  402   HD12  ILE  46          1HD1      ILE  46   9.987  -0.615   9.947
  403   HD13  ILE  46          2HD1      ILE  46  10.739  -0.142   8.438
  404    H    SER  47           H        SER  47   9.842   0.359   4.032
  405    HA   SER  47           HA       SER  47   8.696   2.749   2.622
  406    HB2  SER  47           1HB      SER  47  11.134   1.262   2.200
  407    HB3  SER  47           2HB      SER  47  10.109   0.988   0.803
  408    HG   SER  47           HG       SER  47   9.798   3.441   1.064
  409    H    LEU  48           H        LEU  48   6.611   2.385   2.224
  410    HA   LEU  48           HA       LEU  48   5.736  -0.246   1.085
  411    HB2  LEU  48           1HB      LEU  48   4.066   1.630   2.815
  412    HB3  LEU  48           2HB      LEU  48   3.617   0.018   2.255
  413    HG   LEU  48           HG       LEU  48   5.899   0.628   4.160
  414   HD11  LEU  48          1HD1      LEU  48   4.459  -0.352   5.919
  415   HD12  LEU  48          2HD1      LEU  48   3.148  -0.515   4.744
  416   HD13  LEU  48          3HD1      LEU  48   3.729   1.085   5.207
  417   HD21  LEU  48          3HD2      LEU  48   4.673  -2.025   3.341
  418   HD22  LEU  48          1HD2      LEU  48   5.893  -1.852   4.594
  419   HD23  LEU  48          2HD2      LEU  48   6.288  -1.499   2.926
  420    H    TRP  49           H        TRP  49   4.678  -0.176  -0.757
  421    HA   TRP  49           HA       TRP  49   3.170   2.138  -1.606
  422    HB2  TRP  49           1HB      TRP  49   4.452   2.798  -3.513
  423    HB3  TRP  49           2HB      TRP  49   5.640   2.640  -2.224
  424    HD1  TRP  49           HD1      TRP  49   4.476   0.961  -5.452
  425    HE1  TRP  49           HE1      TRP  49   6.297  -0.663  -6.246
  426    HE3  TRP  49           HE3      TRP  49   7.629   1.207  -1.464
  427    HZ2  TRP  49           HZ2      TRP  49   8.778  -1.731  -5.305
  428    HZ3  TRP  49           HZ3      TRP  49   9.728  -0.095  -1.451
  429    HH2  TRP  49           HH2      TRP  49  10.311  -1.574  -3.358
  430    H    ILE  50           H        ILE  50   2.592   1.650  -4.097
  431    HA   ILE  50           HA       ILE  50   2.101  -1.253  -4.497
  432    HB   ILE  50           HB       ILE  50  -0.120   0.824  -4.672
  433   HG12  ILE  50          1HG1      ILE  50   0.404  -1.248  -2.492
  434   HG13  ILE  50          2HG1      ILE  50   0.562   0.485  -2.294
  435   HG21  ILE  50          1HG2      ILE  50  -1.588  -1.136  -4.933
  436   HG22  ILE  50          2HG2      ILE  50  -0.219  -2.229  -4.735
  437   HG23  ILE  50          3HG2      ILE  50  -0.345  -1.205  -6.163
  438   HD11  ILE  50          3HD1      ILE  50  -1.968  -1.060  -2.738
  439   HD12  ILE  50          1HD1      ILE  50  -1.872   0.690  -2.913
  440   HD13  ILE  50          2HD1      ILE  50  -1.522  -0.062  -1.356
  441    H    ASP  51           H        ASP  51   1.956  -1.851  -6.601
  442    HA   ASP  51           HA       ASP  51   2.760   0.153  -8.621
  443    HB2  ASP  51           1HB      ASP  51   4.044  -2.001  -8.216
  444    HB3  ASP  51           2HB      ASP  51   2.676  -2.881  -8.880
  445    H    ALA  52           H        ALA  52   1.019   1.145  -9.472
  446    HA   ALA  52           HA       ALA  52  -1.471  -0.324 -10.060
  447    HB1  ALA  52           3HB      ALA  52  -0.677   2.600 -10.107
  448    HB2  ALA  52           1HB      ALA  52  -1.992   1.815  -9.232
  449    HB3  ALA  52           2HB      ALA  52  -2.128   2.066 -10.965
  450    H    THR  53           H        THR  53   1.430  -0.077 -11.599
  451    HA   THR  53           HA       THR  53   0.704   0.514 -14.285
  452    HB   THR  53           HB       THR  53   3.089   0.277 -13.188
  453    HG1  THR  53           HG1      THR  53   3.603  -0.744 -15.497
  454   HG21  THR  53          3HG2      THR  53   4.183  -1.841 -13.310
  455   HG22  THR  53          1HG2      THR  53   2.968  -2.491 -14.407
  456   HG23  THR  53          2HG2      THR  53   2.591  -2.287 -12.701
  457    H    GLY  54           H        GLY  54   0.421  -0.974 -16.041
  458    HA2  GLY  54           1HA      GLY  54  -0.554  -2.778 -17.092
  459    HA3  GLY  54           2HA      GLY  54   0.000  -3.778 -15.754
  460    H    LYS  55           H        LYS  55  -1.411  -2.596 -13.641
  461    HA   LYS  55           HA       LYS  55  -3.838  -3.927 -13.640
  462    HB2  LYS  55           1HB      LYS  55  -2.794  -1.621 -11.970
  463    HB3  LYS  55           2HB      LYS  55  -4.455  -2.117 -11.759
  464    HG2  LYS  55           1HG      LYS  55  -3.146  -3.276 -10.090
  465    HG3  LYS  55           2HG      LYS  55  -3.637  -4.470 -11.288
  466    HD2  LYS  55           1HD      LYS  55  -1.401  -4.301 -12.371
  467    HD3  LYS  55           2HD      LYS  55  -0.917  -3.091 -11.178
  468    HE2  LYS  55           1HE      LYS  55  -1.725  -5.964 -10.554
  469    HE3  LYS  55           2HE      LYS  55  -0.073  -5.344 -10.567
  470    HZ1  LYS  55           3HZ      LYS  55  -2.202  -4.924  -8.622
  471    HZ2  LYS  55           1HZ      LYS  55  -1.198  -3.594  -8.940
  472    HZ3  LYS  55           2HZ      LYS  55  -0.523  -5.053  -8.389
  473    H    ALA  56           H        ALA  56  -5.909  -3.461 -14.106
  474    HA   ALA  56           HA       ALA  56  -6.479  -1.054 -15.791
  475    HB1  ALA  56           3HB      ALA  56  -6.785  -3.264 -16.874
  476    HB2  ALA  56           1HB      ALA  56  -8.326  -2.425 -16.697
  477    HB3  ALA  56           2HB      ALA  56  -7.900  -3.743 -15.599
  478    H    VAL  57           H        VAL  57  -8.832  -0.444 -15.674
  479    HA   VAL  57           HA       VAL  57  -9.421   0.563 -13.131
  480    HB   VAL  57           HB       VAL  57 -11.382   0.223 -15.452
  481   HG11  VAL  57          1HG1      VAL  57 -12.337   1.021 -13.276
  482   HG12  VAL  57          2HG1      VAL  57 -12.395   2.280 -14.509
  483   HG13  VAL  57          3HG1      VAL  57 -11.153   2.327 -13.263
  484   HG21  VAL  57          3HG2      VAL  57 -10.557   2.471 -16.210
  485   HG22  VAL  57          1HG2      VAL  57  -9.294   1.250 -16.316
  486   HG23  VAL  57          2HG2      VAL  57  -9.297   2.400 -14.983
  487    H    GLY  58           H        GLY  58 -10.944  -0.034 -11.615
  488    HA2  GLY  58           1HA      GLY  58 -12.897  -1.435 -10.987
  489    HA3  GLY  58           2HA      GLY  58 -12.108  -2.794 -11.763
  490    H    GLU  59           H        GLU  59 -12.827  -3.248  -9.289
  491    HA   GLU  59           HA       GLU  59 -10.622  -2.615  -7.440
  492    HB2  GLU  59           1HB      GLU  59 -12.124  -3.594  -5.715
  493    HB3  GLU  59           2HB      GLU  59 -12.876  -2.265  -6.594
  494    HG2  GLU  59           1HG      GLU  59 -14.065  -3.902  -8.051
  495    HG3  GLU  59           2HG      GLU  59 -13.359  -5.220  -7.125
  496    H    HIS  60           H        HIS  60  -9.074  -3.951  -6.903
  497    HA   HIS  60           HA       HIS  60  -9.392  -6.856  -7.069
  498    HB2  HIS  60           1HB      HIS  60  -8.553  -6.122  -9.329
  499    HB3  HIS  60           2HB      HIS  60  -7.128  -5.441  -8.549
  500    HD1  HIS  60           HD1      HIS  60  -5.238  -7.052  -8.030
  501    HD2  HIS  60           HD2      HIS  60  -8.774  -9.047  -8.980
  502    HE1  HIS  60           HE1      HIS  60  -4.654  -9.512  -8.185
  503    HE2  HIS  60           HE2      HIS  60  -6.798 -10.742  -8.763
  504    H    THR  61           H        THR  61  -7.904  -7.997  -5.861
  505    HA   THR  61           HA       THR  61  -6.766  -6.573  -3.584
  506    HB   THR  61           HB       THR  61  -6.602  -9.545  -4.275
  507    HG1  THR  61           HG1      THR  61  -8.330  -8.904  -2.339
  508   HG21  THR  61          3HG2      THR  61  -6.297  -9.781  -1.811
  509   HG22  THR  61          1HG2      THR  61  -6.279  -8.027  -1.667
  510   HG23  THR  61          2HG2      THR  61  -4.989  -8.848  -2.540
  511    H    VAL  62           H        VAL  62  -4.571  -6.308  -3.158
  512    HA   VAL  62           HA       VAL  62  -2.572  -7.335  -5.105
  513    HB   VAL  62           HB       VAL  62  -1.559  -5.046  -5.305
  514   HG11  VAL  62          1HG1      VAL  62  -3.085  -5.950  -7.086
  515   HG12  VAL  62          2HG1      VAL  62  -3.132  -4.194  -6.971
  516   HG13  VAL  62          3HG1      VAL  62  -4.445  -5.148  -6.298
  517   HG21  VAL  62          3HG2      VAL  62  -4.154  -4.173  -3.953
  518   HG22  VAL  62          1HG2      VAL  62  -2.986  -3.088  -4.685
  519   HG23  VAL  62          2HG2      VAL  62  -2.536  -4.023  -3.268
  520    H    LYS  63           H        LYS  63  -0.474  -7.393  -4.372
  521    HA   LYS  63           HA       LYS  63  -0.155  -7.354  -1.415
  522    HB2  LYS  63           1HB      LYS  63   1.464  -8.726  -3.593
  523    HB3  LYS  63           2HB      LYS  63   1.799  -8.828  -1.861
  524    HG2  LYS  63           1HG      LYS  63  -0.464  -9.809  -1.492
  525    HG3  LYS  63           2HG      LYS  63  -0.766  -9.746  -3.232
  526    HD2  LYS  63           1HD      LYS  63   1.147 -11.279  -3.623
  527    HD3  LYS  63           2HD      LYS  63   1.466 -11.322  -1.885
  528    HE2  LYS  63           1HE      LYS  63   0.174 -13.311  -2.580
  529    HE3  LYS  63           2HE      LYS  63  -0.785 -12.301  -1.495
  530    HZ1  LYS  63           3HZ      LYS  63  -0.936 -11.931  -4.418
  531    HZ2  LYS  63           1HZ      LYS  63  -2.071 -11.512  -3.230
  532    HZ3  LYS  63           2HZ      LYS  63  -1.852 -13.144  -3.655
  533    H    ILE  64           H        ILE  64   1.468  -6.282  -0.434
  534    HA   ILE  64           HA       ILE  64   2.546  -3.938  -1.802
  535    HB   ILE  64           HB       ILE  64   3.313  -4.773   1.031
  536   HG12  ILE  64          1HG1      ILE  64   0.890  -5.113   1.003
  537   HG13  ILE  64          2HG1      ILE  64   1.224  -3.616   1.849
  538   HG21  ILE  64          1HG2      ILE  64   3.303  -2.332   1.398
  539   HG22  ILE  64          2HG2      ILE  64   2.741  -2.056  -0.241
  540   HG23  ILE  64          3HG2      ILE  64   4.346  -2.739   0.039
  541   HD11  ILE  64          3HD1      ILE  64  -0.617  -3.187   0.423
  542   HD12  ILE  64          1HD1      ILE  64   0.129  -3.954  -0.958
  543   HD13  ILE  64          2HD1      ILE  64   0.731  -2.409  -0.357
  544    H    TYR  65           H        TYR  65   4.693  -3.652  -2.427
  545    HA   TYR  65           HA       TYR  65   6.261  -5.917  -3.064
  546    HB2  TYR  65           1HB      TYR  65   6.342  -3.727  -4.264
  547    HB3  TYR  65           2HB      TYR  65   7.167  -3.020  -2.879
  548    HD1  TYR  65           HD1      TYR  65   9.490  -3.757  -2.265
  549    HD2  TYR  65           HD2      TYR  65   7.528  -5.297  -5.778
  550    HE1  TYR  65           HE1      TYR  65  11.664  -4.639  -3.106
  551    HE2  TYR  65           HE2      TYR  65   9.698  -6.168  -6.602
  552    HH   TYR  65           HH       TYR  65  12.087  -5.727  -6.296
  553    H    TRP  66           H        TRP  66   6.087  -3.985  -0.213
  554    HA   TRP  66           HA       TRP  66   7.092  -4.089   1.821
  555    HB2  TRP  66           1HB      TRP  66   6.914  -6.834   0.882
  556    HB3  TRP  66           2HB      TRP  66   8.441  -6.684   1.728
  557    HD1  TRP  66           HD1      TRP  66   8.201  -5.525   4.270
  558    HE1  TRP  66           HE1      TRP  66   6.398  -5.990   6.050
  559    HE3  TRP  66           HE3      TRP  66   4.541  -7.487   1.312
  560    HZ2  TRP  66           HZ2      TRP  66   3.759  -7.059   6.196
  561    HZ3  TRP  66           HZ3      TRP  66   2.383  -8.221   2.300
  562    HH2  TRP  66           HH2      TRP  66   1.987  -8.006   4.740
  563    H    GLN  67           H        GLN  67   8.875  -3.061   2.541
  564    HA   GLN  67           HA       GLN  67  11.557  -3.742   1.597
  565    HB2  GLN  67           1HB      GLN  67  10.076  -1.451   0.478
  566    HB3  GLN  67           2HB      GLN  67  11.573  -0.915   1.207
  567    HG2  GLN  67           1HG      GLN  67  11.413  -3.143  -0.851
  568    HG3  GLN  67           2HG      GLN  67  11.808  -1.474  -1.237
  569   HE21  GLN  67          2HE2      GLN  67  13.798  -0.575  -0.014
  570   HE22  GLN  67          1HE2      GLN  67  15.063  -1.659   0.306
  571    H    LEU  68           H        LEU  68  12.276  -4.122   3.592
  572    HA   LEU  68           HA       LEU  68  12.619  -1.826   5.385
  573    HB2  LEU  68           1HB      LEU  68  11.949  -3.681   7.325
  574    HB3  LEU  68           2HB      LEU  68  10.868  -2.441   6.713
  575    HG   LEU  68           HG       LEU  68  10.002  -4.081   5.022
  576   HD11  LEU  68          1HD1      LEU  68  11.835  -6.024   6.490
  577   HD12  LEU  68          2HD1      LEU  68  11.862  -5.605   4.780
  578   HD13  LEU  68          3HD1      LEU  68  10.522  -6.533   5.422
  579   HD21  LEU  68          3HD2      LEU  68   9.828  -4.898   7.937
  580   HD22  LEU  68          1HD2      LEU  68   8.719  -5.456   6.684
  581   HD23  LEU  68          2HD2      LEU  68   8.790  -3.742   7.097
  582    HA   PRO  69           HA       PRO  69  16.547  -4.097   5.548
  583    HB2  PRO  69           1HB      PRO  69  18.144  -2.254   6.623
  584    HB3  PRO  69           2HB      PRO  69  17.341  -1.894   5.077
  585    HG2  PRO  69           1HG      PRO  69  16.506  -1.048   7.845
  586    HG3  PRO  69           2HG      PRO  69  16.687  -0.036   6.395
  587    HD2  PRO  69           1HD      PRO  69  14.229  -1.123   7.171
  588    HD3  PRO  69           2HD      PRO  69  14.639  -0.752   5.488
  589    H    ALA  70           H        ALA  70  15.729  -5.715   7.009
  590    HA   ALA  70           HA       ALA  70  17.044  -5.770   9.577
  591    HB1  ALA  70           3HB      ALA  70  14.991  -5.928  10.949
  592    HB2  ALA  70           1HB      ALA  70  14.012  -5.589   9.518
  593    HB3  ALA  70           2HB      ALA  70  15.098  -4.355  10.153
  594    H    GLY  71           H        GLY  71  15.892  -7.719  10.855
  595    HA2  GLY  71           1HA      GLY  71  15.759 -10.057   8.989
  596    HA3  GLY  71           2HA      GLY  71  16.459 -10.070  10.601
  597    H    ILE  72           H        ILE  72  13.417  -8.598   9.522
  598    HA   ILE  72           HA       ILE  72  11.959  -9.821  11.729
  599    HB   ILE  72           HB       ILE  72  10.036  -8.543  10.831
  600   HG12  ILE  72          1HG1      ILE  72  11.152  -6.781   8.866
  601   HG13  ILE  72          2HG1      ILE  72  11.737  -8.359   8.382
  602   HG21  ILE  72          1HG2      ILE  72  11.554  -7.479  12.416
  603   HG22  ILE  72          2HG2      ILE  72  10.897  -6.293  11.292
  604   HG23  ILE  72          3HG2      ILE  72  12.548  -6.890  11.087
  605   HD11  ILE  72          3HD1      ILE  72   9.403  -9.217   8.438
  606   HD12  ILE  72          1HD1      ILE  72   9.604  -7.892   7.291
  607   HD13  ILE  72          2HD1      ILE  72   8.837  -7.599   8.854
  608    H    GLU  73           H        GLU  73  10.031 -11.028  11.440
  609    HA   GLU  73           HA       GLU  73  10.030 -12.808   9.036
  610    HB2  GLU  73           1HB      GLU  73   9.093 -13.314  11.892
  611    HB3  GLU  73           2HB      GLU  73   8.844 -14.429  10.550
  612    HG2  GLU  73           1HG      GLU  73  10.824 -15.149  11.779
  613    HG3  GLU  73           2HG      GLU  73  11.337 -14.531  10.213
  614    H    MET  74           H        MET  74   8.404 -12.493   7.670
  615    HA   MET  74           HA       MET  74   6.167 -10.768   8.199
  616    HB2  MET  74           1HB      MET  74   6.652 -12.757   5.946
  617    HB3  MET  74           2HB      MET  74   5.358 -11.563   5.965
  618    HG2  MET  74           1HG      MET  74   7.020  -9.738   6.079
  619    HG3  MET  74           2HG      MET  74   8.333 -10.913   6.081
  620    HE1  MET  74           3HE      MET  74   9.522 -11.616   3.918
  621    HE2  MET  74           1HE      MET  74   8.586 -12.234   2.552
  622    HE3  MET  74           2HE      MET  74   8.339 -12.898   4.162
  623    H    VAL  75           H        VAL  75   4.852 -11.458   9.820
  624    HA   VAL  75           HA       VAL  75   4.117 -14.146  10.402
  625    HB   VAL  75           HB       VAL  75   2.557 -11.601  10.986
  626   HG11  VAL  75          1HG1      VAL  75   1.078 -13.548  11.312
  627   HG12  VAL  75          2HG1      VAL  75   1.566 -12.942  12.885
  628   HG13  VAL  75          3HG1      VAL  75   2.336 -14.383  12.222
  629   HG21  VAL  75          3HG2      VAL  75   3.696 -11.634  13.135
  630   HG22  VAL  75          1HG2      VAL  75   4.909 -11.653  11.865
  631   HG23  VAL  75          2HG2      VAL  75   4.524 -13.138  12.727
  632    H    SER  76           H        SER  76   1.759 -11.738   9.262
  633    HA   SER  76           HA       SER  76   0.899 -13.251   6.966
  634    HB2  SER  76           1HB      SER  76  -0.801 -13.252   9.485
  635    HB3  SER  76           2HB      SER  76  -1.287 -13.902   7.907
  636    HG   SER  76           HG       SER  76  -0.582 -15.619   9.026
  637    H    ILE  77           H        ILE  77  -0.874 -12.175   5.887
  638    HA   ILE  77           HA       ILE  77  -2.000 -10.317   5.143
  639    HB   ILE  77           HB       ILE  77  -3.696  -9.664   6.684
  640   HG12  ILE  77          1HG1      ILE  77  -1.953  -9.827   9.170
  641   HG13  ILE  77          2HG1      ILE  77  -2.041  -8.368   8.255
  642   HG21  ILE  77          1HG2      ILE  77  -3.404 -12.180   6.736
  643   HG22  ILE  77          2HG2      ILE  77  -4.343 -11.474   8.049
  644   HG23  ILE  77          3HG2      ILE  77  -2.690 -11.971   8.332
  645   HD11  ILE  77          3HD1      ILE  77  -4.384  -9.779   9.497
  646   HD12  ILE  77          1HD1      ILE  77  -4.469  -8.291   8.551
  647   HD13  ILE  77          2HD1      ILE  77  -3.620  -8.301  10.096
  648    HA   PRO  78           HA       PRO  78  -3.250  -8.127   5.615
  649    HB2  PRO  78           1HB      PRO  78  -3.612  -5.579   5.698
  650    HB3  PRO  78           2HB      PRO  78  -3.026  -6.351   7.176
  651    HG2  PRO  78           1HG      PRO  78  -1.478  -4.681   5.193
  652    HG3  PRO  78           2HG      PRO  78  -1.288  -4.807   6.958
  653    HD2  PRO  78           1HD      PRO  78   0.166  -6.322   4.937
  654    HD3  PRO  78           2HD      PRO  78   0.305  -6.494   6.693
  655    H    ASP  79           H        ASP  79  -4.602  -7.504   3.955
  656    HA   ASP  79           HA       ASP  79  -3.276  -7.105   1.332
  657    HB2  ASP  79           1HB      ASP  79  -5.661  -8.000   0.587
  658    HB3  ASP  79           2HB      ASP  79  -4.452  -9.126   1.137
  659    H    VAL  80           H        VAL  80  -4.308  -5.731  -0.155
  660    HA   VAL  80           HA       VAL  80  -6.004  -3.597   1.059
  661    HB   VAL  80           HB       VAL  80  -3.761  -3.238  -0.964
  662   HG11  VAL  80          1HG1      VAL  80  -5.530  -1.221   0.497
  663   HG12  VAL  80          2HG1      VAL  80  -5.581  -1.576  -1.227
  664   HG13  VAL  80          3HG1      VAL  80  -4.160  -0.808  -0.537
  665   HG21  VAL  80          3HG2      VAL  80  -2.830  -3.769   1.245
  666   HG22  VAL  80          1HG2      VAL  80  -3.930  -2.637   2.029
  667   HG23  VAL  80          2HG2      VAL  80  -2.653  -2.033   0.986
  668    H    THR  81           H        THR  81  -7.767  -3.139   0.056
  669    HA   THR  81           HA       THR  81  -8.215  -3.925  -2.791
  670    HB   THR  81           HB       THR  81 -10.239  -4.380  -0.539
  671    HG1  THR  81           HG1      THR  81  -9.010  -6.471  -1.896
  672   HG21  THR  81          3HG2      THR  81 -11.411  -5.696  -2.270
  673   HG22  THR  81          1HG2      THR  81 -10.129  -5.348  -3.433
  674   HG23  THR  81          2HG2      THR  81 -11.172  -4.049  -2.840
  675    H    TYR  82           H        TYR  82  -8.982  -2.301  -3.910
  676    HA   TYR  82           HA       TYR  82 -10.665  -0.193  -2.696
  677    HB2  TYR  82           1HB      TYR  82  -9.249   1.607  -3.605
  678    HB3  TYR  82           2HB      TYR  82  -8.358   0.640  -2.438
  679    HD1  TYR  82           HD1      TYR  82  -6.856  -1.281  -3.307
  680    HD2  TYR  82           HD2      TYR  82  -8.357   1.848  -5.873
  681    HE1  TYR  82           HE1      TYR  82  -5.091  -1.786  -4.958
  682    HE2  TYR  82           HE2      TYR  82  -6.577   1.326  -7.522
  683    HH   TYR  82           HH       TYR  82  -4.763  -1.480  -7.468
  684    H    THR  83           H        THR  83 -10.953   1.510  -4.656
  685    HA   THR  83           HA       THR  83 -11.781  -0.093  -7.058
  686    HB   THR  83           HB       THR  83 -13.412   2.108  -5.739
  687    HG1  THR  83           HG1      THR  83 -14.612  -0.206  -5.595
  688   HG21  THR  83          3HG2      THR  83 -14.103   0.081  -7.906
  689   HG22  THR  83          1HG2      THR  83 -13.847   1.805  -8.163
  690   HG23  THR  83          2HG2      THR  83 -15.219   1.256  -7.210
  691    H    LEU  84           H        LEU  84 -10.620   0.621  -8.712
  692    HA   LEU  84           HA       LEU  84  -9.680   3.397  -8.857
  693    HB2  LEU  84           1HB      LEU  84  -8.196   1.458  -9.401
  694    HB3  LEU  84           2HB      LEU  84  -9.198   1.093 -10.773
  695    HG   LEU  84           HG       LEU  84  -8.669   3.315 -11.759
  696   HD11  LEU  84          1HD1      LEU  84  -6.551   4.490 -10.581
  697   HD12  LEU  84          2HD1      LEU  84  -7.215   3.731  -9.141
  698   HD13  LEU  84          3HD1      LEU  84  -8.192   4.860 -10.074
  699   HD21  LEU  84          3HD2      LEU  84  -6.166   2.850 -12.161
  700   HD22  LEU  84          1HD2      LEU  84  -7.254   1.500 -12.486
  701   HD23  LEU  84          2HD2      LEU  84  -6.303   1.540 -10.996
  702    H    LYS  85           H        LYS  85 -10.463   4.906 -10.270
  703    HA   LYS  85           HA       LYS  85 -12.481   4.138 -12.315
  704    HB2  LYS  85           1HB      LYS  85 -12.863   6.284 -10.186
  705    HB3  LYS  85           2HB      LYS  85 -13.896   6.062 -11.595
  706    HG2  LYS  85           1HG      LYS  85 -14.437   3.757 -10.819
  707    HG3  LYS  85           2HG      LYS  85 -13.409   4.006  -9.417
  708    HD2  LYS  85           1HD      LYS  85 -15.655   4.404  -8.650
  709    HD3  LYS  85           2HD      LYS  85 -14.895   5.983  -8.769
  710    HE2  LYS  85           1HE      LYS  85 -16.110   6.471 -10.835
  711    HE3  LYS  85           2HE      LYS  85 -16.657   4.800 -10.967
  712    HZ1  LYS  85           3HZ      LYS  85 -18.410   6.142 -10.077
  713    HZ2  LYS  85           1HZ      LYS  85 -17.402   6.751  -8.855
  714    HZ3  LYS  85           2HZ      LYS  85 -17.847   5.112  -8.848
  715    H    ALA  86           H        ALA  86 -12.882   5.827 -13.852
  716    HA   ALA  86           HA       ALA  86 -10.450   7.052 -14.782
  717    HB1  ALA  86           3HB      ALA  86 -11.855   7.744 -16.690
  718    HB2  ALA  86           1HB      ALA  86 -13.302   7.232 -15.816
  719    HB3  ALA  86           2HB      ALA  86 -12.102   6.038 -16.312
  720    H    LYS  87           H        LYS  87 -10.016   9.235 -15.021
  721    HA   LYS  87           HA       LYS  87 -10.888  11.010 -12.986
  722    HB2  LYS  87           1HB      LYS  87  -9.399  12.596 -13.974
  723    HB3  LYS  87           2HB      LYS  87  -8.674  11.021 -14.264
  724    HG2  LYS  87           1HG      LYS  87  -8.481  11.806 -16.456
  725    HG3  LYS  87           2HG      LYS  87 -10.131  11.232 -16.586
  726    HD2  LYS  87           1HD      LYS  87 -10.893  13.586 -15.941
  727    HD3  LYS  87           2HD      LYS  87  -9.211  14.080 -16.001
  728    HE2  LYS  87           1HE      LYS  87 -10.375  14.587 -18.126
  729    HE3  LYS  87           2HE      LYS  87  -9.090  13.404 -18.376
  730    HZ1  LYS  87           3HZ      LYS  87 -10.552  11.788 -18.862
  731    HZ2  LYS  87           1HZ      LYS  87 -11.591  13.074 -19.234
  732    HZ3  LYS  87           2HZ      LYS  87 -11.699  12.310 -17.721
  733    H    GLU  88           H        GLU  88 -12.059  12.963 -13.172
  734    HA   GLU  88           HA       GLU  88 -13.612  13.660 -15.492
  735    HB2  GLU  88           1HB      GLU  88 -14.843  11.619 -14.700
  736    HB3  GLU  88           2HB      GLU  88 -15.129  12.415 -13.155
  737    HG2  GLU  88           1HG      GLU  88 -16.400  14.209 -14.305
  738    HG3  GLU  88           2HG      GLU  88 -16.065  13.457 -15.865
  739    H    ASP  89           H        ASP  89 -12.508  15.620 -14.911
  740    HA   ASP  89           HA       ASP  89 -12.661  16.949 -12.489
  741    HB2  ASP  89           1HB      ASP  89 -12.495  18.140 -15.268
  742    HB3  ASP  89           2HB      ASP  89 -12.070  18.972 -13.774
  743    HA   PRO  90           HA       PRO  90 -16.961  18.383 -12.590
  744    HB2  PRO  90           1HB      PRO  90 -17.067  19.954 -10.431
  745    HB3  PRO  90           2HB      PRO  90 -16.569  18.256 -10.219
  746    HG2  PRO  90           1HG      PRO  90 -14.782  20.687 -10.523
  747    HG3  PRO  90           2HG      PRO  90 -14.769  19.464  -9.228
  748    HD2  PRO  90           1HD      PRO  90 -13.092  19.251 -11.424
  749    HD3  PRO  90           2HD      PRO  90 -13.762  17.827 -10.617
  750    H    LEU  91           H        LEU  91 -14.265  20.586 -12.771
  751    HA   LEU  91           HA       LEU  91 -15.623  23.023 -13.285
  752    HB2  LEU  91           1HB      LEU  91 -12.884  22.187 -14.304
  753    HB3  LEU  91           2HB      LEU  91 -13.471  23.833 -14.072
  754    HG   LEU  91           HG       LEU  91 -13.035  21.780 -11.863
  755   HD11  LEU  91          1HD1      LEU  91 -10.912  22.612 -12.835
  756   HD12  LEU  91          2HD1      LEU  91 -11.134  23.229 -11.199
  757   HD13  LEU  91          3HD1      LEU  91 -11.450  24.273 -12.582
  758   HD21  LEU  91          3HD2      LEU  91 -14.050  24.664 -11.800
  759   HD22  LEU  91          1HD2      LEU  91 -13.321  23.910 -10.379
  760   HD23  LEU  91          2HD2      LEU  91 -14.771  23.228 -11.074
  761    H    GLU  92           H        GLU  92 -14.544  20.437 -15.432
  762    HA   GLU  92           HA       GLU  92 -16.058  21.693 -17.706
  763    HB2  GLU  92           1HB      GLU  92 -13.421  20.178 -17.817
  764    HB3  GLU  92           2HB      GLU  92 -14.342  20.723 -19.227
  765    HG2  GLU  92           1HG      GLU  92 -14.122  23.081 -18.448
  766    HG3  GLU  92           2HG      GLU  92 -13.182  22.532 -17.058
  767    H    HIS  93           H        HIS  93 -17.711  20.473 -18.284
  768    HA   HIS  93           HA       HIS  93 -17.502  17.647 -18.784
  769    HB2  HIS  93           1HB      HIS  93 -17.724  17.652 -16.287
  770    HB3  HIS  93           2HB      HIS  93 -19.266  18.485 -16.439
  771    HD1  HIS  93           HD1      HIS  93 -21.235  16.943 -16.474
  772    HD2  HIS  93           HD2      HIS  93 -17.804  15.070 -17.922
  773    HE1  HIS  93           HE1      HIS  93 -21.895  14.558 -17.016
  774    HE2  HIS  93           HE2      HIS  93 -19.813  13.403 -17.898
  775    H    HIS  94           H        HIS  94 -18.374  18.015 -20.759
  776    HA   HIS  94           HA       HIS  94 -20.589  19.664 -21.390
  777    HB2  HIS  94           1HB      HIS  94 -20.593  18.422 -23.554
  778    HB3  HIS  94           2HB      HIS  94 -18.974  18.944 -23.087
  779    HD1  HIS  94           HD1      HIS  94 -17.430  17.060 -21.937
  780    HD2  HIS  94           HD2      HIS  94 -20.854  15.655 -23.855
  781    HE1  HIS  94           HE1      HIS  94 -17.108  14.568 -22.242
  782    HE2  HIS  94           HE2      HIS  94 -19.186  13.695 -23.409
  783    H    HIS  95           H        HIS  95 -22.656  18.833 -22.321
  784    HA   HIS  95           HA       HIS  95 -23.708  16.280 -21.501
  785    HB2  HIS  95           1HB      HIS  95 -23.717  17.467 -19.307
  786    HB3  HIS  95           2HB      HIS  95 -24.725  18.733 -20.002
  787    HD1  HIS  95           HD1      HIS  95 -24.830  14.932 -19.586
  788    HD2  HIS  95           HD2      HIS  95 -27.434  18.182 -19.751
  789    HE1  HIS  95           HE1      HIS  95 -27.154  14.008 -19.191
  790    HE2  HIS  95           HE2      HIS  95 -28.755  15.977 -19.287
  791    H    HIS  96           H        HIS  96 -24.604  19.632 -22.337
  792    HA   HIS  96           HA       HIS  96 -27.087  19.020 -23.550
  793    HB2  HIS  96           1HB      HIS  96 -26.383  21.315 -22.904
  794    HB3  HIS  96           2HB      HIS  96 -25.196  21.316 -24.204
  795    HD1  HIS  96           HD1      HIS  96 -26.170  21.228 -26.688
  796    HD2  HIS  96           HD2      HIS  96 -29.025  21.867 -23.717
  797    HE1  HIS  96           HE1      HIS  96 -28.275  21.988 -27.870
  798    HE2  HIS  96           HE2      HIS  96 -30.026  22.382 -26.074
  799    H    HIS  97           H        HIS  97 -23.925  19.606 -25.114
  800    HA   HIS  97           HA       HIS  97 -24.859  18.674 -27.713
  801    HB2  HIS  97           1HB      HIS  97 -22.084  19.402 -26.698
  802    HB3  HIS  97           2HB      HIS  97 -22.490  19.074 -28.384
  803    HD1  HIS  97           HD1      HIS  97 -22.837  21.666 -25.704
  804    HD2  HIS  97           HD2      HIS  97 -24.081  21.103 -29.643
  805    HE1  HIS  97           HE1      HIS  97 -23.717  23.902 -26.504
  806    HE2  HIS  97           HE2      HIS  97 -24.481  23.576 -28.904
  807    H    HIS  98           H        HIS  98 -24.126  16.838 -28.796
  808    HA   HIS  98           HA       HIS  98 -23.673  14.616 -29.048
  809    HB2  HIS  98           1HB      HIS  98 -21.360  15.445 -28.529
  810    HB3  HIS  98           2HB      HIS  98 -21.628  15.066 -26.833
  811    HD1  HIS  98           HD1      HIS  98 -21.619  13.313 -30.214
  812    HD2  HIS  98           HD2      HIS  98 -21.059  12.422 -26.181
  813    HE1  HIS  98           HE1      HIS  98 -20.909  10.885 -30.111
  814    HE2  HIS  98           HE2      HIS  98 -20.562  10.326 -27.657
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1  -5.190   5.398  25.162
    2    H2   MET   1           2H       MET   1  -6.676   4.985  25.873
    3    H3   MET   1           3H       MET   1  -6.482   6.496  25.123
    4    HA   MET   1           HA       MET   1  -6.911   3.866  23.930
    5    HB2  MET   1           1HB      MET   1  -7.696   6.714  23.179
    6    HB3  MET   1           2HB      MET   1  -8.267   5.254  22.372
    7    HG2  MET   1           1HG      MET   1  -8.744   5.849  25.318
    8    HG3  MET   1           2HG      MET   1  -9.913   6.179  24.039
    9    HE1  MET   1           3HE      MET   1 -11.242   3.078  26.054
   10    HE2  MET   1           1HE      MET   1 -11.563   4.741  25.551
   11    HE3  MET   1           2HE      MET   1 -10.245   4.394  26.667
   12    H    LYS   2           H        LYS   2  -4.865   3.235  23.221
   13    HA   LYS   2           HA       LYS   2  -2.978   4.891  21.894
   14    HB2  LYS   2           1HB      LYS   2  -3.411   1.887  21.733
   15    HB3  LYS   2           2HB      LYS   2  -1.981   2.731  21.141
   16    HG2  LYS   2           1HG      LYS   2  -1.529   3.578  23.430
   17    HG3  LYS   2           2HG      LYS   2  -2.953   2.723  24.026
   18    HD2  LYS   2           1HD      LYS   2  -1.945   0.559  23.333
   19    HD3  LYS   2           2HD      LYS   2  -0.518   1.415  22.747
   20    HE2  LYS   2           1HE      LYS   2  -1.500   1.409  25.627
   21    HE3  LYS   2           2HE      LYS   2  -0.119   0.501  25.013
   22    HZ1  LYS   2           3HZ      LYS   2  -0.270   3.231  25.771
   23    HZ2  LYS   2           1HZ      LYS   2   0.255   3.091  24.164
   24    HZ3  LYS   2           2HZ      LYS   2   1.098   2.294  25.405
   25    H    THR   3           H        THR   3  -3.654   6.054  20.185
   26    HA   THR   3           HA       THR   3  -5.553   5.240  18.225
   27    HB   THR   3           HB       THR   3  -4.794   7.242  16.998
   28    HG1  THR   3           HG1      THR   3  -2.544   6.690  18.347
   29   HG21  THR   3          3HG2      THR   3  -4.913   7.681  20.006
   30   HG22  THR   3          1HG2      THR   3  -6.314   7.521  18.942
   31   HG23  THR   3          2HG2      THR   3  -5.223   8.897  18.773
   32    H    LEU   4           H        LEU   4  -2.160   4.677  18.608
   33    HA   LEU   4           HA       LEU   4  -0.654   3.502  17.430
   34    HB2  LEU   4           1HB      LEU   4  -2.718   1.903  17.409
   35    HB3  LEU   4           2HB      LEU   4  -2.931   2.406  15.743
   36    HG   LEU   4           HG       LEU   4  -0.337   1.726  15.523
   37   HD11  LEU   4          1HD1      LEU   4  -1.230  -0.062  17.826
   38   HD12  LEU   4          2HD1      LEU   4  -0.055   1.237  17.963
   39   HD13  LEU   4          3HD1      LEU   4   0.310  -0.163  16.964
   40   HD21  LEU   4          3HD2      LEU   4  -2.129   0.627  14.237
   41   HD22  LEU   4          1HD2      LEU   4  -2.582  -0.343  15.638
   42   HD23  LEU   4          2HD2      LEU   4  -1.023  -0.598  14.850
   43    H    TYR   5           H        TYR   5   0.631   3.689  15.577
   44    HA   TYR   5           HA       TYR   5   0.317   5.980  13.952
   45    HB2  TYR   5           1HB      TYR   5   1.983   3.481  13.373
   46    HB3  TYR   5           2HB      TYR   5   2.185   5.065  12.622
   47    HD1  TYR   5           HD2      TYR   5   2.846   7.069  14.050
   48    HD2  TYR   5           HD1      TYR   5   2.924   3.040  15.605
   49    HE1  TYR   5           HE2      TYR   5   4.277   7.812  15.935
   50    HE2  TYR   5           HE1      TYR   5   4.356   3.812  17.484
   51    HH   TYR   5           HH       TYR   5   5.822   5.559  18.059
   52    H    ASP   6           H        ASP   6  -0.756   6.298  12.088
   53    HA   ASP   6           HA       ASP   6  -2.364   4.099  10.918
   54    HB2  ASP   6           1HB      ASP   6  -3.463   5.945   9.657
   55    HB3  ASP   6           2HB      ASP   6  -3.520   6.194  11.401
   56    H    LEU   7           H        LEU   7   0.666   5.368  10.481
   57    HA   LEU   7           HA       LEU   7   1.895   5.901   8.456
   58    HB2  LEU   7           1HB      LEU   7   2.788   3.651   7.706
   59    HB3  LEU   7           2HB      LEU   7   2.891   3.951   9.437
   60    HG   LEU   7           HG       LEU   7   0.304   2.637   8.670
   61   HD11  LEU   7          1HD1      LEU   7   1.634   1.536   6.990
   62   HD12  LEU   7          2HD1      LEU   7   1.211   0.388   8.261
   63   HD13  LEU   7          3HD1      LEU   7   2.837   1.074   8.190
   64   HD21  LEU   7          3HD2      LEU   7   1.198   2.938  11.012
   65   HD22  LEU   7          1HD2      LEU   7   2.446   1.751  10.649
   66   HD23  LEU   7          2HD2      LEU   7   0.746   1.276  10.642
   67    HA   PRO   8           HA       PRO   8  -1.703   5.455   5.472
   68    HB2  PRO   8           1HB      PRO   8  -0.380   7.994   4.456
   69    HB3  PRO   8           2HB      PRO   8  -2.116   7.633   4.640
   70    HG2  PRO   8           1HG      PRO   8  -0.901   9.192   6.434
   71    HG3  PRO   8           2HG      PRO   8  -2.066   7.962   6.974
   72    HD2  PRO   8           1HD      PRO   8   0.969   7.834   7.067
   73    HD3  PRO   8           2HD      PRO   8  -0.214   7.299   8.285
   74    H    ILE   9           H        ILE   9  -1.618   4.460   3.504
   75    HA   ILE   9           HA       ILE   9   0.979   3.671   2.476
   76    HB   ILE   9           HB       ILE   9  -1.750   2.956   1.339
   77   HG12  ILE   9          1HG1      ILE   9  -1.799   2.383   3.712
   78   HG13  ILE   9          2HG1      ILE   9  -1.601   0.904   2.789
   79   HG21  ILE   9          1HG2      ILE   9  -0.540   0.959   0.516
   80   HG22  ILE   9          2HG2      ILE   9   0.954   1.581   1.193
   81   HG23  ILE   9          3HG2      ILE   9   0.158   2.446  -0.130
   82   HD11  ILE   9          3HD1      ILE   9  -0.071   0.664   4.577
   83   HD12  ILE   9          1HD1      ILE   9   0.418   2.356   4.506
   84   HD13  ILE   9          2HD1      ILE   9   0.968   1.231   3.266
   85    H    VAL  10           H        VAL  10   1.783   4.115   0.498
   86    HA   VAL  10           HA       VAL  10   0.637   6.512  -0.896
   87    HB   VAL  10           HB       VAL  10   3.509   5.494  -1.006
   88   HG11  VAL  10          1HG1      VAL  10   2.814   6.889  -2.931
   89   HG12  VAL  10          2HG1      VAL  10   3.938   7.782  -1.912
   90   HG13  VAL  10          3HG1      VAL  10   2.215   8.130  -1.834
   91   HG21  VAL  10          3HG2      VAL  10   2.280   7.664   0.749
   92   HG22  VAL  10          1HG2      VAL  10   4.008   7.369   0.572
   93   HG23  VAL  10          2HG2      VAL  10   2.982   6.145   1.310
   94    H    LEU  11           H        LEU  11   0.252   6.446  -3.024
   95    HA   LEU  11           HA       LEU  11   0.452   3.787  -4.322
   96    HB2  LEU  11           1HB      LEU  11  -1.764   5.326  -4.067
   97    HB3  LEU  11           2HB      LEU  11  -1.160   5.985  -5.583
   98    HG   LEU  11           HG       LEU  11  -1.810   3.064  -4.974
   99   HD11  LEU  11          1HD1      LEU  11  -3.485   3.311  -6.696
  100   HD12  LEU  11          2HD1      LEU  11  -2.958   4.963  -7.014
  101   HD13  LEU  11          3HD1      LEU  11  -3.711   4.556  -5.471
  102   HD21  LEU  11          3HD2      LEU  11  -0.402   4.251  -7.418
  103   HD22  LEU  11          1HD2      LEU  11  -1.244   2.708  -7.455
  104   HD23  LEU  11          2HD2      LEU  11   0.115   2.903  -6.414
  105    H    ARG  12           H        ARG  12   1.996   3.499  -5.780
  106    HA   ARG  12           HA       ARG  12   3.278   5.846  -7.107
  107    HB2  ARG  12           1HB      ARG  12   4.729   4.315  -5.767
  108    HB3  ARG  12           2HB      ARG  12   4.298   3.006  -6.855
  109    HG2  ARG  12           1HG      ARG  12   5.325   4.152  -8.771
  110    HG3  ARG  12           2HG      ARG  12   5.623   5.594  -7.802
  111    HD2  ARG  12           1HD      ARG  12   6.836   2.862  -7.273
  112    HD3  ARG  12           2HD      ARG  12   7.666   4.208  -8.064
  113    HE   ARG  12           HE       ARG  12   6.642   5.149  -5.626
  114   HH11  ARG  12          1HH2      ARG  12   8.973   2.875  -6.818
  115   HH12  ARG  12          2HH2      ARG  12  10.021   3.027  -5.446
  116   HH21  ARG  12          1HH1      ARG  12   7.998   5.353  -3.836
  117   HH22  ARG  12          2HH1      ARG  12   9.468   4.435  -3.752
  118    H    ASN  13           H        ASN  13   3.746   5.718  -9.313
  119    HA   ASN  13           HA       ASN  13   3.223   5.409 -11.487
  120    HB2  ASN  13           1HB      ASN  13   4.163   3.075 -10.839
  121    HB3  ASN  13           2HB      ASN  13   2.492   2.527 -10.828
  122   HD21  ASN  13          2HD2      ASN  13   1.246   3.010 -12.973
  123   HD22  ASN  13          1HD2      ASN  13   2.133   2.863 -14.415
  124    H    LEU  14           H        LEU  14   1.255   6.601 -10.070
  125    HA   LEU  14           HA       LEU  14  -1.308   5.294 -10.713
  126    HB2  LEU  14           1HB      LEU  14  -1.148   6.327  -8.520
  127    HB3  LEU  14           2HB      LEU  14  -0.648   7.861  -9.226
  128    HG   LEU  14           HG       LEU  14  -2.845   8.171 -10.283
  129   HD11  LEU  14          1HD1      LEU  14  -4.736   6.449  -9.688
  130   HD12  LEU  14          2HD1      LEU  14  -3.401   5.325  -9.400
  131   HD13  LEU  14          3HD1      LEU  14  -3.606   6.065 -10.988
  132   HD21  LEU  14          3HD2      LEU  14  -4.237   8.420  -8.292
  133   HD22  LEU  14          1HD2      LEU  14  -2.577   8.920  -7.972
  134   HD23  LEU  14          2HD2      LEU  14  -3.159   7.362  -7.388
  135    HA   PRO  15           HA       PRO  15  -0.996   7.849 -14.613
  136    HB2  PRO  15           1HB      PRO  15  -3.472   6.195 -15.180
  137    HB3  PRO  15           2HB      PRO  15  -2.113   6.553 -16.270
  138    HG2  PRO  15           1HG      PRO  15  -2.319   4.144 -15.167
  139    HG3  PRO  15           2HG      PRO  15  -0.729   4.943 -15.251
  140    HD2  PRO  15           1HD      PRO  15  -2.591   4.731 -12.855
  141    HD3  PRO  15           2HD      PRO  15  -0.847   4.523 -12.940
  142    H    GLU  16           H        GLU  16  -1.861   9.885 -14.536
  143    HA   GLU  16           HA       GLU  16  -3.767  10.886 -12.804
  144    HB2  GLU  16           1HB      GLU  16  -4.002  12.793 -14.423
  145    HB3  GLU  16           2HB      GLU  16  -2.325  12.350 -14.112
  146    HG2  GLU  16           1HG      GLU  16  -2.390  10.939 -16.257
  147    HG3  GLU  16           2HG      GLU  16  -3.967  11.640 -16.597
  148    H    ASP  17           H        ASP  17  -4.382   9.820 -16.149
  149    HA   ASP  17           HA       ASP  17  -7.005  10.387 -16.549
  150    HB2  ASP  17           1HB      ASP  17  -5.567   9.188 -18.171
  151    HB3  ASP  17           2HB      ASP  17  -5.717   7.717 -17.213
  152    H    LEU  18           H        LEU  18  -5.808   8.218 -14.177
  153    HA   LEU  18           HA       LEU  18  -8.560   7.298 -13.418
  154    HB2  LEU  18           1HB      LEU  18  -5.896   5.965 -12.787
  155    HB3  LEU  18           2HB      LEU  18  -7.505   5.318 -12.488
  156    HG   LEU  18           HG       LEU  18  -6.284   5.863 -15.219
  157   HD11  LEU  18          1HD1      LEU  18  -6.995   3.173 -14.021
  158   HD12  LEU  18          2HD1      LEU  18  -5.369   3.858 -13.977
  159   HD13  LEU  18          3HD1      LEU  18  -6.132   3.487 -15.518
  160   HD21  LEU  18          3HD2      LEU  18  -9.082   4.958 -14.429
  161   HD22  LEU  18          1HD2      LEU  18  -8.403   4.507 -16.002
  162   HD23  LEU  18          2HD2      LEU  18  -8.604   6.196 -15.588
  163    H    VAL  19           H        VAL  19  -9.151   7.459 -11.335
  164    HA   VAL  19           HA       VAL  19  -7.297   8.745  -9.376
  165    HB   VAL  19           HB       VAL  19  -9.011  10.417  -8.773
  166   HG11  VAL  19          1HG1      VAL  19  -8.336  10.553 -11.746
  167   HG12  VAL  19          2HG1      VAL  19  -7.206  10.961 -10.453
  168   HG13  VAL  19          3HG1      VAL  19  -8.672  11.911 -10.682
  169   HG21  VAL  19          3HG2      VAL  19 -10.515   9.330 -11.200
  170   HG22  VAL  19          1HG2      VAL  19 -10.961  10.788 -10.315
  171   HG23  VAL  19          2HG2      VAL  19 -11.053   9.219  -9.527
  172    H    LEU  20           H        LEU  20  -7.858   8.515  -7.266
  173    HA   LEU  20           HA       LEU  20  -9.565   6.170  -6.726
  174    HB2  LEU  20           1HB      LEU  20  -6.981   6.832  -5.873
  175    HB3  LEU  20           2HB      LEU  20  -7.942   7.303  -4.477
  176    HG   LEU  20           HG       LEU  20  -7.944   4.564  -5.808
  177   HD11  LEU  20          1HD1      LEU  20  -6.848   3.787  -3.746
  178   HD12  LEU  20          2HD1      LEU  20  -6.860   5.429  -3.108
  179   HD13  LEU  20          3HD1      LEU  20  -5.893   5.042  -4.524
  180   HD21  LEU  20          3HD2      LEU  20 -10.156   4.827  -4.922
  181   HD22  LEU  20          1HD2      LEU  20  -9.573   5.649  -3.492
  182   HD23  LEU  20          2HD2      LEU  20  -9.306   3.928  -3.681
  183    H    GLU  21           H        GLU  21 -11.377   6.298  -5.454
  184    HA   GLU  21           HA       GLU  21 -12.734   8.754  -5.112
  185    HB2  GLU  21           1HB      GLU  21 -14.153   7.295  -3.421
  186    HB3  GLU  21           2HB      GLU  21 -14.175   6.859  -5.128
  187    HG2  GLU  21           1HG      GLU  21 -12.590   5.052  -4.794
  188    HG3  GLU  21           2HG      GLU  21 -12.221   5.573  -3.158
  189    H    LYS  22           H        LYS  22 -10.716   6.885  -2.855
  190    HA   LYS  22           HA       LYS  22 -10.175   9.243  -1.301
  191    HB2  LYS  22           1HB      LYS  22 -12.420   7.525  -0.487
  192    HB3  LYS  22           2HB      LYS  22 -11.224   7.586   0.797
  193    HG2  LYS  22           1HG      LYS  22 -11.308  10.127   0.640
  194    HG3  LYS  22           2HG      LYS  22 -12.654   9.961  -0.466
  195    HD2  LYS  22           1HD      LYS  22 -12.594   8.921   2.387
  196    HD3  LYS  22           2HD      LYS  22 -13.433  10.372   1.845
  197    HE2  LYS  22           1HE      LYS  22 -14.730   8.805   0.208
  198    HE3  LYS  22           2HE      LYS  22 -14.126   7.476   1.207
  199    HZ1  LYS  22           3HZ      LYS  22 -16.346   8.674   1.746
  200    HZ2  LYS  22           1HZ      LYS  22 -15.320   9.786   2.514
  201    HZ3  LYS  22           2HZ      LYS  22 -15.303   8.154   2.983
  202    HA   PRO  23           HA       PRO  23  -6.482   7.176  -0.059
  203    HB2  PRO  23           1HB      PRO  23  -7.210   7.605   2.868
  204    HB3  PRO  23           2HB      PRO  23  -5.687   7.979   2.027
  205    HG2  PRO  23           1HG      PRO  23  -7.395   9.920   2.615
  206    HG3  PRO  23           2HG      PRO  23  -6.585   9.902   1.025
  207    HD2  PRO  23           1HD      PRO  23  -9.418   9.039   1.700
  208    HD3  PRO  23           2HD      PRO  23  -8.838   9.979   0.304
  209    H    LEU  24           H        LEU  24  -7.455   5.207  -0.826
  210    HA   LEU  24           HA       LEU  24  -8.836   3.204  -0.164
  211    HB2  LEU  24           1HB      LEU  24  -6.592   1.613  -0.038
  212    HB3  LEU  24           2HB      LEU  24  -7.179   2.332  -1.532
  213    HG   LEU  24           HG       LEU  24  -5.627   4.276  -1.163
  214   HD11  LEU  24          1HD1      LEU  24  -3.773   4.033   0.505
  215   HD12  LEU  24          2HD1      LEU  24  -4.607   2.626   1.179
  216   HD13  LEU  24          3HD1      LEU  24  -5.338   4.216   1.260
  217   HD21  LEU  24          3HD2      LEU  24  -4.273   1.562  -1.209
  218   HD22  LEU  24          1HD2      LEU  24  -3.556   3.081  -1.767
  219   HD23  LEU  24          2HD2      LEU  24  -4.953   2.401  -2.603
  220    HA   PRO  25           HA       PRO  25  -9.036   2.297   4.185
  221    HB2  PRO  25           1HB      PRO  25  -9.648  -0.407   4.259
  222    HB3  PRO  25           2HB      PRO  25 -10.814   0.816   3.680
  223    HG2  PRO  25           1HG      PRO  25  -8.904  -0.855   2.032
  224    HG3  PRO  25           2HG      PRO  25 -10.660  -0.658   1.810
  225    HD2  PRO  25           1HD      PRO  25  -8.975   0.833   0.336
  226    HD3  PRO  25           2HD      PRO  25 -10.416   1.609   1.037
  227    H    GLU  26           H        GLU  26  -7.902   1.387   5.944
  228    HA   GLU  26           HA       GLU  26  -5.183   0.333   5.310
  229    HB2  GLU  26           1HB      GLU  26  -6.196   1.805   7.772
  230    HB3  GLU  26           2HB      GLU  26  -4.551   1.221   7.527
  231    HG2  GLU  26           1HG      GLU  26  -4.333   2.705   5.539
  232    HG3  GLU  26           2HG      GLU  26  -5.964   3.303   5.817
  233    H    VAL  27           H        VAL  27  -4.311  -1.129   6.809
  234    HA   VAL  27           HA       VAL  27  -6.199  -2.833   8.337
  235    HB   VAL  27           HB       VAL  27  -4.836  -4.817   7.158
  236   HG11  VAL  27          1HG1      VAL  27  -6.616  -5.029   5.426
  237   HG12  VAL  27          2HG1      VAL  27  -7.109  -3.369   5.758
  238   HG13  VAL  27          3HG1      VAL  27  -7.283  -4.603   7.001
  239   HG21  VAL  27          3HG2      VAL  27  -3.367  -3.207   5.835
  240   HG22  VAL  27          1HG2      VAL  27  -4.794  -2.683   4.952
  241   HG23  VAL  27          2HG2      VAL  27  -4.235  -4.329   4.794
  242    H    SER  28           H        SER  28  -5.039  -4.481   9.599
  243    HA   SER  28           HA       SER  28  -2.802  -3.201  11.021
  244    HB2  SER  28           1HB      SER  28  -3.213  -4.887  12.720
  245    HB3  SER  28           2HB      SER  28  -4.765  -4.206  12.229
  246    HG   SER  28           HG       SER  28  -4.857  -6.462  12.278
  247    H    VAL  29           H        VAL  29  -0.788  -3.957  11.091
  248    HA   VAL  29           HA       VAL  29  -0.039  -6.327   9.369
  249    HB   VAL  29           HB       VAL  29   1.737  -3.982  10.120
  250   HG11  VAL  29          1HG1      VAL  29   2.958  -6.049   9.579
  251   HG12  VAL  29          2HG1      VAL  29   3.194  -4.867   8.300
  252   HG13  VAL  29          3HG1      VAL  29   2.072  -6.206   8.073
  253   HG21  VAL  29          3HG2      VAL  29   1.397  -3.150   7.815
  254   HG22  VAL  29          1HG2      VAL  29  -0.135  -3.193   8.685
  255   HG23  VAL  29          2HG2      VAL  29   0.259  -4.441   7.512
  256    H    THR  30           H        THR  30   1.153  -7.940  10.302
  257    HA   THR  30           HA       THR  30   1.994  -7.550  13.169
  258    HB   THR  30           HB       THR  30   1.153 -10.204  11.928
  259    HG1  THR  30           HG1      THR  30  -0.758  -9.701  13.295
  260   HG21  THR  30          3HG2      THR  30   0.944 -10.863  14.315
  261   HG22  THR  30          1HG2      THR  30   1.460  -9.257  14.820
  262   HG23  THR  30          2HG2      THR  30   2.582 -10.316  13.969
  263    H    ILE  31           H        ILE  31   4.104  -7.685  13.498
  264    HA   ILE  31           HA       ILE  31   5.811  -9.344  11.702
  265    HB   ILE  31           HB       ILE  31   6.453  -6.601  12.785
  266   HG12  ILE  31          1HG1      ILE  31   4.910  -6.592  10.842
  267   HG13  ILE  31          2HG1      ILE  31   6.460  -5.898  10.428
  268   HG21  ILE  31          1HG2      ILE  31   8.536  -6.934  11.282
  269   HG22  ILE  31          2HG2      ILE  31   8.136  -8.650  11.306
  270   HG23  ILE  31          3HG2      ILE  31   8.523  -7.813  12.807
  271   HD11  ILE  31          3HD1      ILE  31   6.175  -7.229   8.556
  272   HD12  ILE  31          1HD1      ILE  31   5.149  -8.382   9.397
  273   HD13  ILE  31          2HD1      ILE  31   6.894  -8.473   9.576
  274    H    ARG  32           H        ARG  32   7.764 -10.087  12.646
  275    HA   ARG  32           HA       ARG  32   7.787 -10.310  15.632
  276    HB2  ARG  32           1HB      ARG  32   8.103 -12.441  13.501
  277    HB3  ARG  32           2HB      ARG  32   8.633 -12.703  15.161
  278    HG2  ARG  32           1HG      ARG  32   5.759 -11.792  14.634
  279    HG3  ARG  32           2HG      ARG  32   6.189 -13.485  14.448
  280    HD2  ARG  32           1HD      ARG  32   6.732 -11.922  17.002
  281    HD3  ARG  32           2HD      ARG  32   5.310 -12.934  16.762
  282    HE   ARG  32           HE       ARG  32   8.020 -13.833  17.246
  283   HH11  ARG  32          1HH2      ARG  32   4.980 -14.598  15.754
  284   HH12  ARG  32          2HH2      ARG  32   5.230 -16.314  15.791
  285   HH21  ARG  32          1HH1      ARG  32   8.374 -16.079  17.268
  286   HH22  ARG  32          2HH1      ARG  32   7.157 -17.154  16.654
  287    H    ALA  33           H        ALA  33   9.586  -9.501  16.390
  288    HA   ALA  33           HA       ALA  33  12.172 -10.214  15.353
  289    HB1  ALA  33           3HB      ALA  33  10.899  -7.831  14.276
  290    HB2  ALA  33           1HB      ALA  33  12.488  -8.473  13.869
  291    HB3  ALA  33           2HB      ALA  33  12.287  -7.341  15.203
  292    H    TYR  34           H        TYR  34  13.882  -8.802  16.518
  293    HA   TYR  34           HA       TYR  34  13.474  -9.195  19.302
  294    HB2  TYR  34           1HB      TYR  34  15.695  -7.922  17.676
  295    HB3  TYR  34           2HB      TYR  34  15.773  -8.002  19.421
  296    HD1  TYR  34           HD1      TYR  34  15.997 -10.161  20.594
  297    HD2  TYR  34           HD2      TYR  34  15.803  -9.965  16.283
  298    HE1  TYR  34           HE1      TYR  34  16.762 -12.511  20.442
  299    HE2  TYR  34           HE2      TYR  34  16.578 -12.315  16.156
  300    HH   TYR  34           HH       TYR  34  16.935 -14.282  19.046
  301    HA   PRO  35           HA       PRO  35  11.829  -5.144  20.341
  302    HB2  PRO  35           1HB      PRO  35  12.603  -4.833  22.964
  303    HB3  PRO  35           2HB      PRO  35  11.304  -5.935  22.458
  304    HG2  PRO  35           1HG      PRO  35  14.164  -6.577  23.134
  305    HG3  PRO  35           2HG      PRO  35  12.690  -7.490  23.520
  306    HD2  PRO  35           1HD      PRO  35  14.385  -8.168  21.421
  307    HD3  PRO  35           2HD      PRO  35  12.647  -8.546  21.425
  308    H    GLU  36           H        GLU  36  15.241  -5.765  20.813
  309    HA   GLU  36           HA       GLU  36  16.114  -3.112  21.378
  310    HB2  GLU  36           1HB      GLU  36  18.333  -3.913  20.939
  311    HB3  GLU  36           2HB      GLU  36  17.437  -5.269  21.619
  312    HG2  GLU  36           1HG      GLU  36  16.976  -5.960  19.126
  313    HG3  GLU  36           2HG      GLU  36  18.259  -4.828  18.730
  314    H    ILE  37           H        ILE  37  15.643  -4.830  18.317
  315    HA   ILE  37           HA       ILE  37  16.533  -2.527  16.719
  316    HB   ILE  37           HB       ILE  37  16.049  -3.927  14.759
  317   HG12  ILE  37          1HG1      ILE  37  14.997  -5.921  16.793
  318   HG13  ILE  37          2HG1      ILE  37  14.049  -5.151  15.540
  319   HG21  ILE  37          1HG2      ILE  37  17.887  -5.430  15.039
  320   HG22  ILE  37          2HG2      ILE  37  17.499  -5.770  16.713
  321   HG23  ILE  37          3HG2      ILE  37  18.225  -4.222  16.275
  322   HD11  ILE  37          3HD1      ILE  37  15.677  -6.296  13.858
  323   HD12  ILE  37          1HD1      ILE  37  14.542  -7.343  14.687
  324   HD13  ILE  37          2HD1      ILE  37  16.200  -7.272  15.232
  325    H    LEU  38           H        LEU  38  13.529  -4.065  17.694
  326    HA   LEU  38           HA       LEU  38  11.813  -2.516  15.972
  327    HB2  LEU  38           1HB      LEU  38  11.384  -4.198  18.419
  328    HB3  LEU  38           2HB      LEU  38  10.033  -3.285  17.795
  329    HG   LEU  38           HG       LEU  38  11.633  -5.235  16.090
  330   HD11  LEU  38          1HD1      LEU  38  10.697  -6.534  17.961
  331   HD12  LEU  38          2HD1      LEU  38   9.845  -6.933  16.474
  332   HD13  LEU  38          3HD1      LEU  38   9.102  -5.855  17.656
  333   HD21  LEU  38          3HD2      LEU  38   9.590  -5.252  14.663
  334   HD22  LEU  38          1HD2      LEU  38  10.231  -3.628  14.821
  335   HD23  LEU  38          2HD2      LEU  38   8.833  -4.106  15.769
  336    H    ASN  39           H        ASN  39  13.116  -2.069  19.189
  337    HA   ASN  39           HA       ASN  39  11.530   0.283  19.789
  338    HB2  ASN  39           1HB      ASN  39  14.028  -0.893  21.051
  339    HB3  ASN  39           2HB      ASN  39  13.168   0.493  21.701
  340   HD21  ASN  39          2HD2      ASN  39  11.258  -2.092  20.209
  341   HD22  ASN  39          1HD2      ASN  39  10.629  -2.707  21.663
  342    H    ASN  40           H        ASN  40  14.220  -0.351  17.833
  343    HA   ASN  40           HA       ASN  40  15.238   2.449  17.905
  344    HB2  ASN  40           1HB      ASN  40  16.374  -0.095  16.700
  345    HB3  ASN  40           2HB      ASN  40  17.129   1.484  16.586
  346   HD21  ASN  40          2HD2      ASN  40  18.520  -0.623  17.863
  347   HD22  ASN  40          1HD2      ASN  40  18.608  -0.299  19.527
  348    H    LEU  41           H        LEU  41  13.712   0.025  15.830
  349    HA   LEU  41           HA       LEU  41  14.004   1.397  13.395
  350    HB2  LEU  41           1HB      LEU  41  12.921  -1.104  14.173
  351    HB3  LEU  41           2HB      LEU  41  11.529  -0.269  13.553
  352    HG   LEU  41           HG       LEU  41  14.143  -0.659  12.045
  353   HD11  LEU  41          1HD1      LEU  41  12.959  -2.798  12.355
  354   HD12  LEU  41          2HD1      LEU  41  12.879  -2.295  10.660
  355   HD13  LEU  41          3HD1      LEU  41  11.478  -2.085  11.719
  356   HD21  LEU  41          3HD2      LEU  41  13.026   1.344  11.258
  357   HD22  LEU  41          1HD2      LEU  41  11.471   0.538  11.207
  358   HD23  LEU  41          2HD2      LEU  41  12.741   0.097  10.059
  359    H    THR  42           H        THR  42  12.705   2.862  12.354
  360    HA   THR  42           HA       THR  42  10.411   4.060  13.900
  361    HB   THR  42           HB       THR  42  12.164   5.687  13.956
  362    HG1  THR  42           HG1      THR  42   9.959   6.037  12.674
  363   HG21  THR  42          3HG2      THR  42  13.706   4.749  12.299
  364   HG22  THR  42          1HG2      THR  42  13.359   6.429  11.897
  365   HG23  THR  42          2HG2      THR  42  12.578   5.131  10.995
  366    H    LYS  43           H        LYS  43   8.632   4.689  12.734
  367    HA   LYS  43           HA       LYS  43   7.831   3.097  10.579
  368    HB2  LYS  43           1HB      LYS  43   5.939   4.668  10.344
  369    HB3  LYS  43           2HB      LYS  43   6.261   4.258  12.031
  370    HG2  LYS  43           1HG      LYS  43   7.611   6.401  12.240
  371    HG3  LYS  43           2HG      LYS  43   7.106   6.827  10.605
  372    HD2  LYS  43           1HD      LYS  43   4.738   6.739  11.311
  373    HD3  LYS  43           2HD      LYS  43   5.251   6.326  12.946
  374    HE2  LYS  43           1HE      LYS  43   6.463   8.489  13.113
  375    HE3  LYS  43           2HE      LYS  43   5.934   8.906  11.481
  376    HZ1  LYS  43           3HZ      LYS  43   4.467   9.900  13.061
  377    HZ2  LYS  43           1HZ      LYS  43   4.207   8.414  13.839
  378    HZ3  LYS  43           2HZ      LYS  43   3.631   8.657  12.260
  379    H    GLU  44           H        GLU  44   9.342   6.285  10.502
  380    HA   GLU  44           HA       GLU  44   8.952   6.968   7.805
  381    HB2  GLU  44           1HB      GLU  44  11.332   7.604   9.593
  382    HB3  GLU  44           2HB      GLU  44  10.907   8.468   8.115
  383    HG2  GLU  44           1HG      GLU  44   9.148   8.275  10.595
  384    HG3  GLU  44           2HG      GLU  44  10.126   9.671  10.151
  385    H    GLN  45           H        GLN  45  11.021   4.591   9.215
  386    HA   GLN  45           HA       GLN  45  12.874   4.393   6.992
  387    HB2  GLN  45           1HB      GLN  45  12.496   3.029   9.591
  388    HB3  GLN  45           2HB      GLN  45  13.111   1.958   8.359
  389    HG2  GLN  45           1HG      GLN  45  14.969   3.544   7.945
  390    HG3  GLN  45           2HG      GLN  45  14.337   4.614   9.194
  391   HE21  GLN  45          2HE2      GLN  45  16.222   1.768   8.606
  392   HE22  GLN  45          1HE2      GLN  45  16.547   1.385  10.229
  393    H    ILE  46           H        ILE  46   9.938   2.672   7.984
  394    HA   ILE  46           HA       ILE  46  10.127   0.615   6.059
  395    HB   ILE  46           HB       ILE  46   7.495   1.643   7.189
  396   HG12  ILE  46          1HG1      ILE  46   8.989   1.546   9.117
  397   HG13  ILE  46          2HG1      ILE  46   7.937   0.151   9.188
  398   HG21  ILE  46          1HG2      ILE  46   8.441  -1.204   6.629
  399   HG22  ILE  46          2HG2      ILE  46   7.546  -0.239   5.483
  400   HG23  ILE  46          3HG2      ILE  46   6.800  -0.688   7.013
  401   HD11  ILE  46          3HD1      ILE  46  10.865   0.291   8.486
  402   HD12  ILE  46          1HD1      ILE  46   9.901  -1.109   8.023
  403   HD13  ILE  46          2HD1      ILE  46  10.070  -0.695   9.716
  404    H    SER  47           H        SER  47   9.745   0.632   3.942
  405    HA   SER  47           HA       SER  47   8.478   3.018   2.626
  406    HB2  SER  47           1HB      SER  47  10.741   1.189   1.932
  407    HB3  SER  47           2HB      SER  47   9.741   1.757   0.611
  408    HG   SER  47           HG       SER  47  11.282   3.218   2.467
  409    H    LEU  48           H        LEU  48   6.359   2.491   2.596
  410    HA   LEU  48           HA       LEU  48   5.535  -0.101   1.314
  411    HB2  LEU  48           1HB      LEU  48   3.870   1.657   3.164
  412    HB3  LEU  48           2HB      LEU  48   3.470   0.045   2.568
  413    HG   LEU  48           HG       LEU  48   5.763   0.755   4.418
  414   HD11  LEU  48          1HD1      LEU  48   4.509  -0.509   6.121
  415   HD12  LEU  48          2HD1      LEU  48   3.202  -0.755   4.968
  416   HD13  LEU  48          3HD1      LEU  48   3.595   0.873   5.525
  417   HD21  LEU  48          3HD2      LEU  48   6.576  -1.163   3.198
  418   HD22  LEU  48          1HD2      LEU  48   4.991  -1.921   3.172
  419   HD23  LEU  48          2HD2      LEU  48   5.912  -1.862   4.665
  420    H    TRP  49           H        TRP  49   4.509  -0.022  -0.515
  421    HA   TRP  49           HA       TRP  49   2.829   2.160  -1.237
  422    HB2  TRP  49           1HB      TRP  49   4.050   3.084  -3.079
  423    HB3  TRP  49           2HB      TRP  49   5.258   2.930  -1.805
  424    HD1  TRP  49           HD1      TRP  49   4.195   1.373  -5.107
  425    HE1  TRP  49           HE1      TRP  49   6.052  -0.131  -6.009
  426    HE3  TRP  49           HE3      TRP  49   7.315   1.465  -1.127
  427    HZ2  TRP  49           HZ2      TRP  49   8.565  -1.147  -5.167
  428    HZ3  TRP  49           HZ3      TRP  49   9.454   0.218  -1.209
  429    HH2  TRP  49           HH2      TRP  49  10.085  -1.082  -3.208
  430    H    ILE  50           H        ILE  50   2.324   1.767  -3.782
  431    HA   ILE  50           HA       ILE  50   2.038  -1.139  -4.315
  432    HB   ILE  50           HB       ILE  50  -0.334   0.776  -4.463
  433   HG12  ILE  50          1HG1      ILE  50   0.287  -1.256  -2.280
  434   HG13  ILE  50          2HG1      ILE  50   0.337   0.488  -2.086
  435   HG21  ILE  50          1HG2      ILE  50  -1.625  -1.301  -4.749
  436   HG22  ILE  50          2HG2      ILE  50  -0.160  -2.262  -4.613
  437   HG23  ILE  50          3HG2      ILE  50  -0.415  -1.193  -5.991
  438   HD11  ILE  50          3HD1      ILE  50  -1.728  -0.275  -1.178
  439   HD12  ILE  50          1HD1      ILE  50  -2.103  -1.194  -2.631
  440   HD13  ILE  50          2HD1      ILE  50  -2.091   0.572  -2.682
  441    H    ASP  51           H        ASP  51   1.677  -1.638  -6.474
  442    HA   ASP  51           HA       ASP  51   2.432   0.497  -8.437
  443    HB2  ASP  51           1HB      ASP  51   3.162  -1.397  -9.839
  444    HB3  ASP  51           2HB      ASP  51   3.960  -1.419  -8.274
  445    H    ALA  52           H        ALA  52   0.659   1.379  -9.312
  446    HA   ALA  52           HA       ALA  52  -1.789  -0.182  -9.839
  447    HB1  ALA  52           3HB      ALA  52  -2.484   1.965  -9.238
  448    HB2  ALA  52           1HB      ALA  52  -2.340   2.241 -10.967
  449    HB3  ALA  52           2HB      ALA  52  -1.029   2.729  -9.893
  450    H    THR  53           H        THR  53   1.102   0.067 -11.404
  451    HA   THR  53           HA       THR  53   0.356   0.502 -14.107
  452    HB   THR  53           HB       THR  53   2.710   0.495 -13.183
  453    HG1  THR  53           HG1      THR  53   2.027   0.313 -15.443
  454   HG21  THR  53          3HG2      THR  53   2.337  -1.882 -12.053
  455   HG22  THR  53          1HG2      THR  53   3.912  -1.520 -12.766
  456   HG23  THR  53          2HG2      THR  53   2.738  -2.488 -13.651
  457    H    GLY  54           H        GLY  54   0.254  -1.138 -15.804
  458    HA2  GLY  54           1HA      GLY  54  -0.571  -3.085 -16.754
  459    HA3  GLY  54           2HA      GLY  54  -0.137  -3.915 -15.266
  460    H    LYS  55           H        LYS  55  -1.682  -2.609 -13.409
  461    HA   LYS  55           HA       LYS  55  -4.154  -3.906 -13.567
  462    HB2  LYS  55           1HB      LYS  55  -3.062  -1.694 -11.809
  463    HB3  LYS  55           2HB      LYS  55  -4.747  -2.147 -11.655
  464    HG2  LYS  55           1HG      LYS  55  -3.534  -3.370  -9.967
  465    HG3  LYS  55           2HG      LYS  55  -3.963  -4.532 -11.223
  466    HD2  LYS  55           1HD      LYS  55  -1.663  -4.304 -12.179
  467    HD3  LYS  55           2HD      LYS  55  -1.257  -3.164 -10.905
  468    HE2  LYS  55           1HE      LYS  55  -0.448  -5.451 -10.352
  469    HE3  LYS  55           2HE      LYS  55  -1.681  -4.927  -9.202
  470    HZ1  LYS  55           3HZ      LYS  55  -2.603  -6.299 -11.598
  471    HZ2  LYS  55           1HZ      LYS  55  -3.190  -6.376 -10.008
  472    HZ3  LYS  55           2HZ      LYS  55  -1.796  -7.246 -10.442
  473    H    ALA  56           H        ALA  56  -6.249  -3.071 -13.744
  474    HA   ALA  56           HA       ALA  56  -6.554  -0.606 -15.414
  475    HB1  ALA  56           3HB      ALA  56  -8.068  -3.240 -15.617
  476    HB2  ALA  56           1HB      ALA  56  -6.808  -2.707 -16.726
  477    HB3  ALA  56           2HB      ALA  56  -8.323  -1.811 -16.619
  478    H    VAL  57           H        VAL  57  -9.030  -0.174 -15.461
  479    HA   VAL  57           HA       VAL  57  -9.734   0.752 -12.897
  480    HB   VAL  57           HB       VAL  57 -11.645   0.385 -15.241
  481   HG11  VAL  57          1HG1      VAL  57 -11.505   2.466 -13.034
  482   HG12  VAL  57          2HG1      VAL  57 -12.632   1.111 -13.053
  483   HG13  VAL  57          3HG1      VAL  57 -12.747   2.375 -14.279
  484   HG21  VAL  57          3HG2      VAL  57  -9.612   1.488 -16.104
  485   HG22  VAL  57          1HG2      VAL  57  -9.623   2.609 -14.746
  486   HG23  VAL  57          2HG2      VAL  57 -10.895   2.680 -15.962
  487    H    GLY  58           H        GLY  58 -11.252   0.081 -11.452
  488    HA2  GLY  58           1HA      GLY  58 -13.153  -1.405 -10.925
  489    HA3  GLY  58           2HA      GLY  58 -12.260  -2.730 -11.656
  490    H    GLU  59           H        GLU  59 -12.942  -3.381  -9.326
  491    HA   GLU  59           HA       GLU  59 -10.858  -2.600  -7.360
  492    HB2  GLU  59           1HB      GLU  59 -12.392  -3.674  -5.702
  493    HB3  GLU  59           2HB      GLU  59 -13.112  -2.305  -6.545
  494    HG2  GLU  59           1HG      GLU  59 -14.276  -3.869  -8.097
  495    HG3  GLU  59           2HG      GLU  59 -13.583  -5.232  -7.233
  496    H    HIS  60           H        HIS  60  -9.280  -3.902  -6.856
  497    HA   HIS  60           HA       HIS  60  -9.582  -6.807  -7.028
  498    HB2  HIS  60           1HB      HIS  60  -8.756  -6.072  -9.283
  499    HB3  HIS  60           2HB      HIS  60  -7.350  -5.349  -8.510
  500    HD1  HIS  60           HD1      HIS  60  -9.088  -8.741  -8.247
  501    HD2  HIS  60           HD2      HIS  60  -5.257  -7.141  -8.607
  502    HE1  HIS  60           HE1      HIS  60  -7.493 -10.705  -8.253
  503    HE2  HIS  60           HE2      HIS  60  -5.151  -9.748  -8.474
  504    H    THR  61           H        THR  61  -7.994  -7.938  -5.879
  505    HA   THR  61           HA       THR  61  -6.946  -6.467  -3.585
  506    HB   THR  61           HB       THR  61  -6.776  -9.449  -4.191
  507    HG1  THR  61           HG1      THR  61  -8.481  -8.648  -2.260
  508   HG21  THR  61          3HG2      THR  61  -5.139  -8.763  -2.487
  509   HG22  THR  61          1HG2      THR  61  -6.480  -9.571  -1.677
  510   HG23  THR  61          2HG2      THR  61  -6.368  -7.815  -1.653
  511    H    VAL  62           H        VAL  62  -4.775  -6.173  -3.120
  512    HA   VAL  62           HA       VAL  62  -2.744  -7.231  -5.008
  513    HB   VAL  62           HB       VAL  62  -1.774  -4.942  -5.260
  514   HG11  VAL  62          1HG1      VAL  62  -3.348  -4.139  -6.959
  515   HG12  VAL  62          2HG1      VAL  62  -4.660  -5.082  -6.263
  516   HG13  VAL  62          3HG1      VAL  62  -3.298  -5.899  -7.028
  517   HG21  VAL  62          3HG2      VAL  62  -3.219  -2.995  -4.693
  518   HG22  VAL  62          1HG2      VAL  62  -2.750  -3.882  -3.254
  519   HG23  VAL  62          2HG2      VAL  62  -4.372  -4.064  -3.923
  520    H    LYS  63           H        LYS  63  -0.653  -7.194  -4.248
  521    HA   LYS  63           HA       LYS  63  -0.400  -7.134  -1.280
  522    HB2  LYS  63           1HB      LYS  63   1.814  -8.474  -1.981
  523    HB3  LYS  63           2HB      LYS  63   0.258  -9.282  -1.889
  524    HG2  LYS  63           1HG      LYS  63   1.466  -9.911  -3.944
  525    HG3  LYS  63           2HG      LYS  63  -0.032  -9.075  -4.331
  526    HD2  LYS  63           1HD      LYS  63   1.137  -7.037  -4.902
  527    HD3  LYS  63           2HD      LYS  63   2.656  -7.621  -4.215
  528    HE2  LYS  63           1HE      LYS  63   2.624  -7.750  -6.715
  529    HE3  LYS  63           2HE      LYS  63   2.778  -9.349  -5.978
  530    HZ1  LYS  63           3HZ      LYS  63   0.632  -9.895  -6.475
  531    HZ2  LYS  63           1HZ      LYS  63   1.012  -8.926  -7.815
  532    HZ3  LYS  63           2HZ      LYS  63   0.103  -8.284  -6.531
  533    H    ILE  64           H        ILE  64   1.208  -6.076  -0.271
  534    HA   ILE  64           HA       ILE  64   2.132  -3.628  -1.465
  535    HB   ILE  64           HB       ILE  64   3.170  -4.779   1.158
  536   HG12  ILE  64          1HG1      ILE  64   0.763  -5.154   1.300
  537   HG13  ILE  64          2HG1      ILE  64   1.138  -3.742   2.268
  538   HG21  ILE  64          1HG2      ILE  64   3.115  -2.370   1.823
  539   HG22  ILE  64          2HG2      ILE  64   2.537  -1.939   0.220
  540   HG23  ILE  64          3HG2      ILE  64   4.149  -2.637   0.418
  541   HD11  ILE  64          3HD1      ILE  64  -0.261  -3.887  -0.412
  542   HD12  ILE  64          1HD1      ILE  64   0.502  -2.376   0.109
  543   HD13  ILE  64          2HD1      ILE  64  -0.775  -3.099   1.072
  544    H    TYR  65           H        TYR  65   4.172  -3.164  -2.262
  545    HA   TYR  65           HA       TYR  65   5.763  -5.195  -3.348
  546    HB2  TYR  65           1HB      TYR  65   5.696  -2.778  -4.062
  547    HB3  TYR  65           2HB      TYR  65   6.670  -2.374  -2.653
  548    HD1  TYR  65           HD2      TYR  65   9.029  -3.299  -2.430
  549    HD2  TYR  65           HD1      TYR  65   6.703  -3.922  -6.009
  550    HE1  TYR  65           HE2      TYR  65  11.083  -3.957  -3.664
  551    HE2  TYR  65           HE1      TYR  65   8.772  -4.586  -7.221
  552    HH   TYR  65           HH       TYR  65  10.973  -5.392  -6.789
  553    H    TRP  66           H        TRP  66   5.756  -3.800  -0.181
  554    HA   TRP  66           HA       TRP  66   6.901  -4.213   1.729
  555    HB2  TRP  66           1HB      TRP  66   6.210  -6.539   1.124
  556    HB3  TRP  66           2HB      TRP  66   7.742  -6.761   0.305
  557    HD1  TRP  66           HD1      TRP  66   6.249  -6.412   3.799
  558    HE1  TRP  66           HE1      TRP  66   7.994  -7.228   5.512
  559    HE3  TRP  66           HE3      TRP  66  10.276  -7.060   0.722
  560    HZ2  TRP  66           HZ2      TRP  66  10.733  -8.033   5.578
  561    HZ3  TRP  66           HZ3      TRP  66  12.444  -7.856   1.634
  562    HH2  TRP  66           HH2      TRP  66  12.677  -8.345   4.059
  563    H    GLN  67           H        GLN  67   8.621  -2.984   2.238
  564    HA   GLN  67           HA       GLN  67  11.281  -3.639   1.182
  565    HB2  GLN  67           1HB      GLN  67  10.293  -2.029  -0.459
  566    HB3  GLN  67           2HB      GLN  67  10.108  -0.864   0.837
  567    HG2  GLN  67           1HG      GLN  67  12.569  -0.863   1.204
  568    HG3  GLN  67           2HG      GLN  67  12.757  -2.064  -0.066
  569   HE21  GLN  67          2HE2      GLN  67  13.222  -1.198  -2.086
  570   HE22  GLN  67          1HE2      GLN  67  12.873   0.392  -2.567
  571    H    LEU  68           H        LEU  68  12.108  -4.028   3.153
  572    HA   LEU  68           HA       LEU  68  12.692  -1.760   4.778
  573    HB2  LEU  68           1HB      LEU  68  11.832  -2.848   6.948
  574    HB3  LEU  68           2HB      LEU  68  10.646  -2.056   5.923
  575    HG   LEU  68           HG       LEU  68  11.207  -5.042   5.673
  576   HD11  LEU  68          1HD1      LEU  68   9.262  -5.464   7.145
  577   HD12  LEU  68          2HD1      LEU  68   9.186  -3.745   7.525
  578   HD13  LEU  68          3HD1      LEU  68  10.601  -4.688   7.989
  579   HD21  LEU  68          3HD2      LEU  68   9.096  -3.197   4.511
  580   HD22  LEU  68          1HD2      LEU  68   8.558  -4.774   5.014
  581   HD23  LEU  68          2HD2      LEU  68   9.834  -4.645   3.820
  582    HA   PRO  69           HA       PRO  69  16.144  -4.601   5.407
  583    HB2  PRO  69           1HB      PRO  69  17.835  -2.981   6.771
  584    HB3  PRO  69           2HB      PRO  69  17.343  -2.580   5.121
  585    HG2  PRO  69           1HG      PRO  69  16.332  -1.436   7.718
  586    HG3  PRO  69           2HG      PRO  69  16.726  -0.599   6.200
  587    HD2  PRO  69           1HD      PRO  69  14.124  -1.387   6.953
  588    HD3  PRO  69           2HD      PRO  69  14.649  -1.014   5.308
  589    H    ALA  70           H        ALA  70  17.727  -4.454   7.739
  590    HA   ALA  70           HA       ALA  70  17.937  -5.276   9.861
  591    HB1  ALA  70           3HB      ALA  70  16.227  -4.914  11.478
  592    HB2  ALA  70           1HB      ALA  70  14.940  -5.153  10.306
  593    HB3  ALA  70           2HB      ALA  70  15.892  -3.680  10.263
  594    H    GLY  71           H        GLY  71  16.552  -7.072  11.301
  595    HA2  GLY  71           1HA      GLY  71  16.493  -9.514   9.561
  596    HA3  GLY  71           2HA      GLY  71  16.882  -9.463  11.282
  597    H    ILE  72           H        ILE  72  14.219  -8.063   9.388
  598    HA   ILE  72           HA       ILE  72  12.265  -9.045  11.364
  599    HB   ILE  72           HB       ILE  72  12.359  -6.801   9.403
  600   HG12  ILE  72          1HG1      ILE  72  10.719  -5.776  11.070
  601   HG13  ILE  72          2HG1      ILE  72  10.785  -7.279  11.962
  602   HG21  ILE  72          1HG2      ILE  72   9.819  -6.711   9.083
  603   HG22  ILE  72          2HG2      ILE  72   9.741  -8.359   9.629
  604   HG23  ILE  72          3HG2      ILE  72  10.605  -7.971   8.146
  605   HD11  ILE  72          3HD1      ILE  72  12.307  -5.881  13.080
  606   HD12  ILE  72          1HD1      ILE  72  12.934  -5.233  11.569
  607   HD13  ILE  72          2HD1      ILE  72  13.348  -6.875  12.061
  608    H    GLU  73           H        GLU  73  10.695 -10.457  10.973
  609    HA   GLU  73           HA       GLU  73  10.788 -12.038   8.434
  610    HB2  GLU  73           1HB      GLU  73   9.824 -12.755  11.231
  611    HB3  GLU  73           2HB      GLU  73   9.780 -13.826   9.829
  612    HG2  GLU  73           1HG      GLU  73  12.255 -13.673   9.634
  613    HG3  GLU  73           2HG      GLU  73  12.297 -12.609  11.038
  614    H    MET  74           H        MET  74   9.037 -12.158   7.223
  615    HA   MET  74           HA       MET  74   6.712 -10.447   7.803
  616    HB2  MET  74           1HB      MET  74   7.389 -12.275   5.480
  617    HB3  MET  74           2HB      MET  74   5.976 -11.217   5.545
  618    HG2  MET  74           1HG      MET  74   7.426  -9.241   5.717
  619    HG3  MET  74           2HG      MET  74   8.863 -10.259   5.773
  620    HE1  MET  74           3HE      MET  74   6.158  -9.407   2.157
  621    HE2  MET  74           1HE      MET  74   5.789  -9.128   3.861
  622    HE3  MET  74           2HE      MET  74   5.636 -10.747   3.173
  623    H    VAL  75           H        VAL  75   5.446 -11.309   9.367
  624    HA   VAL  75           HA       VAL  75   4.952 -14.054   9.861
  625    HB   VAL  75           HB       VAL  75   3.158 -11.671  10.446
  626   HG11  VAL  75          1HG1      VAL  75   2.190 -13.121  12.268
  627   HG12  VAL  75          2HG1      VAL  75   3.096 -14.483  11.610
  628   HG13  VAL  75          3HG1      VAL  75   1.821 -13.728  10.658
  629   HG21  VAL  75          3HG2      VAL  75   4.236 -11.592  12.626
  630   HG22  VAL  75          1HG2      VAL  75   5.513 -11.616  11.414
  631   HG23  VAL  75          2HG2      VAL  75   5.122 -13.079  12.289
  632    H    SER  76           H        SER  76   2.367 -11.883   8.754
  633    HA   SER  76           HA       SER  76   1.769 -13.297   6.326
  634    HB2  SER  76           1HB      SER  76   0.141 -13.854   8.811
  635    HB3  SER  76           2HB      SER  76  -0.405 -14.245   7.173
  636    HG   SER  76           HG       SER  76   1.133 -15.698   8.759
  637    H    ILE  77           H        ILE  77  -0.130 -12.419   5.317
  638    HA   ILE  77           HA       ILE  77  -1.502 -10.679   4.714
  639    HB   ILE  77           HB       ILE  77  -3.274 -10.305   6.244
  640   HG12  ILE  77          1HG1      ILE  77  -1.528 -10.546   8.749
  641   HG13  ILE  77          2HG1      ILE  77  -1.800  -9.005   7.971
  642   HG21  ILE  77          1HG2      ILE  77  -2.088 -12.687   7.605
  643   HG22  ILE  77          2HG2      ILE  77  -2.816 -12.745   6.001
  644   HG23  ILE  77          3HG2      ILE  77  -3.783 -12.285   7.402
  645   HD11  ILE  77          3HD1      ILE  77  -3.292  -9.275   9.798
  646   HD12  ILE  77          1HD1      ILE  77  -3.835 -10.837   9.183
  647   HD13  ILE  77          2HD1      ILE  77  -4.226  -9.355   8.301
  648    HA   PRO  78           HA       PRO  78  -3.083  -8.830   5.318
  649    HB2  PRO  78           1HB      PRO  78  -3.932  -6.427   5.714
  650    HB3  PRO  78           2HB      PRO  78  -3.258  -7.287   7.099
  651    HG2  PRO  78           1HG      PRO  78  -1.993  -5.115   5.463
  652    HG3  PRO  78           2HG      PRO  78  -1.838  -5.455   7.186
  653    HD2  PRO  78           1HD      PRO  78  -0.064  -6.357   5.038
  654    HD3  PRO  78           2HD      PRO  78   0.081  -6.751   6.765
  655    H    ASP  79           H        ASP  79  -4.589  -7.946   3.845
  656    HA   ASP  79           HA       ASP  79  -3.301  -7.327   1.262
  657    HB2  ASP  79           1HB      ASP  79  -5.615  -8.358   0.488
  658    HB3  ASP  79           2HB      ASP  79  -4.347  -9.441   0.977
  659    H    VAL  80           H        VAL  80  -4.458  -5.940  -0.087
  660    HA   VAL  80           HA       VAL  80  -6.272  -4.036   1.341
  661    HB   VAL  80           HB       VAL  80  -4.100  -3.326  -0.649
  662   HG11  VAL  80          1HG1      VAL  80  -5.970  -1.602   1.042
  663   HG12  VAL  80          2HG1      VAL  80  -6.024  -1.770  -0.707
  664   HG13  VAL  80          3HG1      VAL  80  -4.651  -0.977   0.049
  665   HG21  VAL  80          3HG2      VAL  80  -4.193  -2.993   2.380
  666   HG22  VAL  80          1HG2      VAL  80  -2.980  -2.281   1.325
  667   HG23  VAL  80          2HG2      VAL  80  -3.090  -4.036   1.481
  668    H    THR  81           H        THR  81  -8.006  -3.379   0.283
  669    HA   THR  81           HA       THR  81  -8.364  -4.043  -2.601
  670    HB   THR  81           HB       THR  81 -10.493  -4.548  -0.478
  671    HG1  THR  81           HG1      THR  81  -9.067  -6.537  -1.847
  672   HG21  THR  81          3HG2      THR  81 -11.593  -5.793  -2.317
  673   HG22  THR  81          1HG2      THR  81 -10.265  -5.380  -3.404
  674   HG23  THR  81          2HG2      THR  81 -11.326  -4.115  -2.781
  675    H    TYR  82           H        TYR  82  -9.194  -2.391  -3.697
  676    HA   TYR  82           HA       TYR  82 -10.900  -0.348  -2.400
  677    HB2  TYR  82           1HB      TYR  82  -9.499   1.516  -3.195
  678    HB3  TYR  82           2HB      TYR  82  -8.613   0.486  -2.079
  679    HD1  TYR  82           HD2      TYR  82  -6.882  -1.128  -2.922
  680    HD2  TYR  82           HD1      TYR  82  -8.798   1.670  -5.578
  681    HE1  TYR  82           HE2      TYR  82  -5.111  -1.497  -4.610
  682    HE2  TYR  82           HE1      TYR  82  -7.001   1.274  -7.259
  683    HH   TYR  82           HH       TYR  82  -5.296  -0.087  -7.829
  684    H    THR  83           H        THR  83 -11.337   1.425  -4.207
  685    HA   THR  83           HA       THR  83 -12.096  -0.068  -6.714
  686    HB   THR  83           HB       THR  83 -13.682   2.181  -5.410
  687    HG1  THR  83           HG1      THR  83 -13.430  -0.065  -4.391
  688   HG21  THR  83          3HG2      THR  83 -14.361   0.193  -7.632
  689   HG22  THR  83          1HG2      THR  83 -14.050   1.914  -7.867
  690   HG23  THR  83          2HG2      THR  83 -15.469   1.389  -6.965
  691    H    LEU  84           H        LEU  84 -11.271   0.708  -8.502
  692    HA   LEU  84           HA       LEU  84 -10.215   3.470  -8.551
  693    HB2  LEU  84           1HB      LEU  84  -8.658   1.537  -9.059
  694    HB3  LEU  84           2HB      LEU  84  -9.623   1.204 -10.474
  695    HG   LEU  84           HG       LEU  84  -9.116   3.470 -11.362
  696   HD11  LEU  84          1HD1      LEU  84  -7.655   3.821  -8.713
  697   HD12  LEU  84          2HD1      LEU  84  -8.732   4.932  -9.545
  698   HD13  LEU  84          3HD1      LEU  84  -7.104   4.714 -10.134
  699   HD21  LEU  84          3HD2      LEU  84  -6.601   3.104 -11.709
  700   HD22  LEU  84          1HD2      LEU  84  -7.631   1.729 -12.120
  701   HD23  LEU  84          2HD2      LEU  84  -6.721   1.742 -10.605
  702    H    LYS  85           H        LYS  85 -11.028   4.958  -9.932
  703    HA   LYS  85           HA       LYS  85 -12.960   4.119 -12.058
  704    HB2  LYS  85           1HB      LYS  85 -13.308   6.371 -10.056
  705    HB3  LYS  85           2HB      LYS  85 -14.354   6.086 -11.447
  706    HG2  LYS  85           1HG      LYS  85 -14.896   3.814 -10.564
  707    HG3  LYS  85           2HG      LYS  85 -13.878   4.129  -9.161
  708    HD2  LYS  85           1HD      LYS  85 -15.335   6.035  -8.533
  709    HD3  LYS  85           2HD      LYS  85 -16.355   5.713  -9.934
  710    HE2  LYS  85           1HE      LYS  85 -16.883   3.460  -9.036
  711    HE3  LYS  85           2HE      LYS  85 -15.867   3.787  -7.629
  712    HZ1  LYS  85           3HZ      LYS  85 -17.345   5.245  -6.779
  713    HZ2  LYS  85           1HZ      LYS  85 -18.433   4.251  -7.619
  714    HZ3  LYS  85           2HZ      LYS  85 -17.935   5.728  -8.295
  715    H    ALA  86           H        ALA  86 -13.277   5.680 -13.702
  716    HA   ALA  86           HA       ALA  86 -10.798   6.804 -14.647
  717    HB1  ALA  86           3HB      ALA  86 -12.445   5.770 -16.171
  718    HB2  ALA  86           1HB      ALA  86 -12.141   7.449 -16.618
  719    HB3  ALA  86           2HB      ALA  86 -13.619   7.015 -15.754
  720    H    LYS  87           H        LYS  87 -10.278   8.936 -14.962
  721    HA   LYS  87           HA       LYS  87 -11.101  10.842 -13.060
  722    HB2  LYS  87           1HB      LYS  87  -8.926  10.840 -14.337
  723    HB3  LYS  87           2HB      LYS  87  -9.806  11.407 -15.755
  724    HG2  LYS  87           1HG      LYS  87 -10.529  13.425 -14.498
  725    HG3  LYS  87           2HG      LYS  87  -9.668  12.848 -13.074
  726    HD2  LYS  87           1HD      LYS  87  -7.539  12.929 -14.348
  727    HD3  LYS  87           2HD      LYS  87  -8.416  13.526 -15.753
  728    HE2  LYS  87           1HE      LYS  87  -9.110  15.524 -14.472
  729    HE3  LYS  87           2HE      LYS  87  -8.231  14.934 -13.063
  730    HZ1  LYS  87           3HZ      LYS  87  -6.692  16.303 -14.026
  731    HZ2  LYS  87           1HZ      LYS  87  -7.192  15.958 -15.612
  732    HZ3  LYS  87           2HZ      LYS  87  -6.275  14.819 -14.741
  733    H    GLU  88           H        GLU  88 -12.278  12.743 -13.279
  734    HA   GLU  88           HA       GLU  88 -14.572  12.604 -15.169
  735    HB2  GLU  88           1HB      GLU  88 -15.494  14.353 -13.439
  736    HB3  GLU  88           2HB      GLU  88 -15.424  12.661 -12.960
  737    HG2  GLU  88           1HG      GLU  88 -13.388  13.002 -11.670
  738    HG3  GLU  88           2HG      GLU  88 -13.165  14.626 -12.300
  739    H    ASP  89           H        ASP  89 -13.936  15.564 -13.638
  740    HA   ASP  89           HA       ASP  89 -13.390  16.788 -16.233
  741    HB2  ASP  89           1HB      ASP  89 -14.104  18.891 -15.145
  742    HB3  ASP  89           2HB      ASP  89 -15.322  17.628 -15.093
  743    HA   PRO  90           HA       PRO  90  -9.262  17.922 -14.761
  744    HB2  PRO  90           1HB      PRO  90  -8.393  19.454 -16.800
  745    HB3  PRO  90           2HB      PRO  90  -8.800  17.743 -17.083
  746    HG2  PRO  90           1HG      PRO  90 -10.415  20.180 -17.738
  747    HG3  PRO  90           2HG      PRO  90 -10.214  18.708 -18.682
  748    HD2  PRO  90           1HD      PRO  90 -12.428  19.238 -16.972
  749    HD3  PRO  90           2HD      PRO  90 -11.950  17.659 -17.587
  750    H    LEU  91           H        LEU  91 -11.634  20.382 -15.531
  751    HA   LEU  91           HA       LEU  91 -10.162  22.559 -14.249
  752    HB2  LEU  91           1HB      LEU  91 -13.051  22.452 -15.189
  753    HB3  LEU  91           2HB      LEU  91 -12.141  23.907 -14.774
  754    HG   LEU  91           HG       LEU  91 -11.501  22.001 -17.035
  755   HD11  LEU  91          1HD1      LEU  91 -13.514  23.293 -17.493
  756   HD12  LEU  91          2HD1      LEU  91 -12.195  23.810 -18.542
  757   HD13  LEU  91          3HD1      LEU  91 -12.649  24.794 -17.151
  758   HD21  LEU  91          3HD2      LEU  91 -10.051  24.504 -16.082
  759   HD22  LEU  91          1HD2      LEU  91  -9.899  23.946 -17.753
  760   HD23  LEU  91          2HD2      LEU  91  -9.373  22.914 -16.436
  761    H    GLU  92           H        GLU  92 -13.472  21.483 -13.590
  762    HA   GLU  92           HA       GLU  92 -12.999  20.863 -10.841
  763    HB2  GLU  92           1HB      GLU  92 -12.814  23.542 -11.073
  764    HB3  GLU  92           2HB      GLU  92 -14.564  23.465 -11.097
  765    HG2  GLU  92           1HG      GLU  92 -12.758  22.365  -8.909
  766    HG3  GLU  92           2HG      GLU  92 -13.756  23.815  -8.797
  767    H    HIS  93           H        HIS  93 -15.645  22.504 -12.618
  768    HA   HIS  93           HA       HIS  93 -17.606  20.553 -11.626
  769    HB2  HIS  93           1HB      HIS  93 -17.947  23.000 -13.409
  770    HB3  HIS  93           2HB      HIS  93 -19.248  22.074 -12.662
  771    HD1  HIS  93           HD1      HIS  93 -19.241  22.071  -9.954
  772    HD2  HIS  93           HD2      HIS  93 -16.851  24.968 -11.765
  773    HE1  HIS  93           HE1      HIS  93 -18.722  23.789  -8.170
  774    HE2  HIS  93           HE2      HIS  93 -17.265  25.563  -9.256
  775    H    HIS  94           H        HIS  94 -18.878  19.286 -12.939
  776    HA   HIS  94           HA       HIS  94 -17.608  18.229 -15.343
  777    HB2  HIS  94           1HB      HIS  94 -19.446  16.569 -15.257
  778    HB3  HIS  94           2HB      HIS  94 -18.602  16.692 -13.716
  779    HD1  HIS  94           HD1      HIS  94 -19.809  18.422 -11.939
  780    HD2  HIS  94           HD2      HIS  94 -22.180  16.932 -15.029
  781    HE1  HIS  94           HE1      HIS  94 -22.215  18.759 -11.224
  782    HE2  HIS  94           HE2      HIS  94 -23.671  17.856 -13.097
  783    H    HIS  95           H        HIS  95 -17.919  19.094 -17.277
  784    HA   HIS  95           HA       HIS  95 -19.992  20.977 -17.878
  785    HB2  HIS  95           1HB      HIS  95 -17.744  20.985 -18.961
  786    HB3  HIS  95           2HB      HIS  95 -18.145  19.477 -19.781
  787    HD1  HIS  95           HD1      HIS  95 -19.964  22.793 -19.307
  788    HD2  HIS  95           HD2      HIS  95 -19.069  20.061 -22.323
  789    HE1  HIS  95           HE1      HIS  95 -21.039  23.683 -21.415
  790    HE2  HIS  95           HE2      HIS  95 -20.504  22.030 -23.269
  791    H    HIS  96           H        HIS  96 -19.315  17.874 -19.514
  792    HA   HIS  96           HA       HIS  96 -20.687  16.401 -20.625
  793    HB2  HIS  96           1HB      HIS  96 -22.491  17.030 -18.260
  794    HB3  HIS  96           2HB      HIS  96 -22.637  15.619 -19.313
  795    HD1  HIS  96           HD1      HIS  96 -19.179  15.951 -19.201
  796    HD2  HIS  96           HD2      HIS  96 -21.946  14.753 -16.322
  797    HE1  HIS  96           HE1      HIS  96 -17.891  14.607 -17.495
  798    HE2  HIS  96           HE2      HIS  96 -19.560  13.867 -15.731
  799    H    HIS  97           H        HIS  97 -21.163  17.441 -22.520
  800    HA   HIS  97           HA       HIS  97 -23.035  19.560 -22.815
  801    HB2  HIS  97           1HB      HIS  97 -21.229  19.076 -24.455
  802    HB3  HIS  97           2HB      HIS  97 -22.035  17.574 -24.900
  803    HD1  HIS  97           HD1      HIS  97 -22.735  21.320 -24.838
  804    HD2  HIS  97           HD2      HIS  97 -23.998  17.895 -26.849
  805    HE1  HIS  97           HE1      HIS  97 -24.321  22.099 -26.652
  806    HE2  HIS  97           HE2      HIS  97 -25.099  20.021 -27.890
  807    H    HIS  98           H        HIS  98 -25.142  19.528 -23.593
  808    HA   HIS  98           HA       HIS  98 -27.313  18.826 -23.697
  809    HB2  HIS  98           1HB      HIS  98 -26.410  17.635 -25.703
  810    HB3  HIS  98           2HB      HIS  98 -26.081  16.226 -24.704
  811    HD1  HIS  98           HD1      HIS  98 -29.037  18.412 -25.714
  812    HD2  HIS  98           HD2      HIS  98 -28.261  14.522 -24.429
  813    HE1  HIS  98           HE1      HIS  98 -31.238  17.165 -25.829
  814    HE2  HIS  98           HE2      HIS  98 -30.782  14.793 -25.050