*HEADER    HYDROLASE                               01-OCT-99   1D3Z              
*TITLE     UBIQUITIN NMR STRUCTURE                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: E.COLI                                            
*KEYWDS    UBIQUITIN NMR LIQUID CRYSTAL DIPOLAR COUPLING                         
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    G.CORNILESCU, J.L.MARQUARDT, M.OTTIGER, A.BAX                         
*REVDAT   1   14-OCT-99 1D3Z    0                                                


A. NOE RESTRAINTS

assign ((resid     1 and name      HA))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      3.567 3.567 0.892 ! 
assign ((resid     1 and name      HA))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      3.248 3.248 0.812 ! 
assign ((resid     1 and name     HB2))   ((resid     1 and name     HE#))      2.852 2.852 0.713 ! 
assign ((resid     1 and name     HE#))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      2.524 2.524 0.631 ! 
assign ((resid     1 and name     HE#))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      2.704 2.704 0.676 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name      HA))      3.601 3.601 0.900 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name      HA))      3.128 3.128 0.782 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name     HE#))      2.401 2.401 0.600 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name     HE#))      2.425 2.425 0.606 ! 
assign ((resid     1 and name      HA))   ((resid     2 and name      HA))      4.388 1.097 1.097 ! 
assign ((resid     1 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      4.761 4.761 1.190 ! 
assign ((resid     1 and name      HA))   ((resid     2 and name      HN))      2.133 0.533 0.533 ! 
assign ((resid     1 and name     HB1) or 
        (resid     1 and name     HB2) or 
        (resid    63 and name     HB2))   ((resid     2 and name      HN))      3.032 3.032 0.758 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     2 and name      HN))      3.929 3.929 0.982 ! 
assign ((resid     1 and name     HB1))   ((resid     3 and name    HG2#))      3.966 3.966 0.992 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid     3 and name    HG2#))      4.629 4.629 1.157 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.847 3.847 0.962 ! 
assign ((resid     1 and name     HE#))   ((resid     3 and name    HD1#))      3.200 3.200 0.800 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid     3 and name    HD1#))      3.601 3.601 0.900 ! 
assign ((resid     1 and name     HE#))   ((resid     3 and name    HG2#))      2.205 2.205 0.551 ! 
assign ((resid     1 and name     HE#))   ((resid     3 and name    HG2#))      2.041 2.041 0.510 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.612 3.612 0.903 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.169 3.169 0.792 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.584 3.584 0.896 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.128 3.128 0.782 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.573 3.573 0.893 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.653 3.653 0.913 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*) or 
                                           (resid    43 and name     HD*))      3.259 3.259 0.815 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.235 3.235 0.809 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2) or 
        (resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    15 and name     HD*))      3.077 3.077 0.769 ! 
assign ((resid     1 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      4.915 4.915 1.229 ! 
assign ((resid     1 and name     HB1))   ((resid    17 and name    HG2#))      4.216 4.216 1.054 ! 
assign ((resid     1 and name     HB2))   ((resid    17 and name    HG2#))      3.375 3.375 0.844 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    17 and name    HG2#))      4.004 4.004 1.001 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name      HB))      3.863 3.863 0.966 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG1#))      4.013 4.013 1.003 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG1#))      3.710 3.710 0.927 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG2#))      2.182 2.182 0.545 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG2#))      2.015 2.015 0.504 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.601 2.601 0.650 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.847 2.847 0.712 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.704 2.704 0.676 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.737 2.737 0.684 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    18 and name      HA))      4.736 4.736 1.184 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    18 and name      HA))      3.939 3.939 0.985 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    18 and name      HA))      3.730 3.730 0.932 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    18 and name      HA))      3.888 3.888 0.972 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    18 and name      HA))      3.787 3.787 0.947 ! 
assign ((resid     1 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.855 4.855 1.214 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name      HA))      2.588 2.588 0.647 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name      HA))      2.604 2.604 0.651 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name     HB1) or 
                                           (resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.515 3.515 0.879 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.724 3.724 0.931 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.355 3.355 0.839 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.004 4.004 1.001 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.101 3.101 0.775 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.266 3.266 0.817 ! 
assign ((resid     1 and name     HE#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      2.888 2.888 0.722 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2) or 
                                           (resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.472 3.472 0.868 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.013 4.013 1.003 ! 
assign ((resid     1 and name     HE#))   ((resid    21 and name     HB2))      4.691 4.691 1.173 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    25 and name      HA))      2.094 2.094 0.523 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name      HA))      3.057 3.057 0.764 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name      HA))      3.131 3.131 0.783 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name    HG1#))      4.189 4.189 1.047 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    26 and name      HA))      4.615 4.615 1.154 ! 
assign ((resid     1 and name     HE#))   ((resid    26 and name    HG2#))      4.586 4.586 1.147 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    27 and name      HA))      4.637 4.637 1.159 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.301 3.301 0.825 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.894 2.894 0.724 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.163 3.163 0.791 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.714 4.714 1.179 ! 
assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.411 4.411 1.103 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.164 4.164 1.041 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.809 3.809 0.952 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB1))      3.219 3.219 0.805 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB1))      3.252 3.252 0.813 ! 
assign ((resid     1 and name     HE#))   ((resid    56 and name     HB2))      4.230 4.230 1.058 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB2))      3.472 3.472 0.868 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      2.509 2.509 0.627 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      2.367 2.367 0.592 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      3.500 3.500 0.875 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      3.245 3.245 0.811 ! 
assign ((resid     1 and name     HE#))   ((resid    61 and name      HB))      3.140 3.140 0.785 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    61 and name    HD1#))      4.891 4.891 1.223 ! 
assign ((resid     1 and name     HE#))   ((resid    61 and name    HG2#))      2.297 2.297 0.574 ! 
assign ((resid     1 and name     HE#))   ((resid    61 and name    HG2#))      2.451 2.451 0.613 ! 
assign ((resid     1 and name     HE#))   ((resid    62 and name      HA))      2.701 2.701 0.675 ! 
assign ((resid     1 and name     HE#))   ((resid    62 and name      HA))      2.621 2.621 0.655 ! 
assign ((resid     1 and name      HA))   ((resid    63 and name      HA))      4.775 1.194 1.194 ! 
assign ((resid     1 and name      HA))   ((resid    63 and name      HA))      4.976 1.244 1.244 ! 
assign ((resid     1 and name      HA))   ((resid    63 and name     HB1))      4.674 1.169 1.169 ! 
assign ((resid     1 and name      HA))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.579 4.579 1.145 ! 
assign ((resid     1 and name     HE#))   ((resid    63 and name      HA))      2.915 2.915 0.729 ! 
assign ((resid     1 and name     HE#))   ((resid    63 and name      HA))      2.929 2.929 0.732 ! 
assign ((resid     1 and name     HE#))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      4.801 4.801 1.200 ! 
assign ((resid     1 and name     HE#))   ((resid    63 and name      HN))      3.941 3.941 0.985 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.794 3.794 0.949 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.371 3.371 0.843 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.737 3.737 0.934 ! 
assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2) or 
        (resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    63 and name      HA))      3.042 3.042 0.760 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.993 4.993 1.248 ! 
assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.419 4.419 1.105 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      3.106 3.106 0.776 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      2.965 2.965 0.741 ! 
assign ((resid     2 and name      HA))   ((resid     2 and name      HN))      3.011 0.753 0.753 ! 
assign ((resid     2 and name     HB*))   ((resid     2 and name      HN))      2.911 2.911 0.728 ! 
assign ((resid     2 and name     HB*))   ((resid     2 and name      HN))      3.124 3.124 0.781 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HA) or 
                                           (resid    68 and name      HA))      2.998 2.998 0.750 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HA) or 
                                           (resid    68 and name      HA))      3.040 3.040 0.760 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid     2 and name    HE21) or 
                                           (resid    49 and name    HE21))      2.845 2.845 0.711 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid     2 and name    HE21) or 
                                           (resid    49 and name    HE21))      3.913 3.913 0.978 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid     2 and name    HE22) or 
                                           (resid    49 and name    HE22))      3.400 3.400 0.850 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HN))      3.457 3.457 0.864 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid     2 and name      HN))      3.606 3.606 0.901 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      4.562 4.562 1.141 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name    HG2#))      4.304 4.304 1.076 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name    HG2#))      4.351 4.351 1.088 ! 
assign ((resid     2 and name      HA))   ((resid     3 and name      HN))      1.969 0.492 0.492 ! 
assign ((resid     2 and name     HB*))   ((resid     3 and name      HA))      4.990 4.990 1.248 ! 
assign ((resid     2 and name     HB*))   ((resid     3 and name      HN))      4.261 4.261 1.065 ! 
assign ((resid     2 and name     HB*))   ((resid     3 and name      HN))      3.649 3.649 0.912 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      4.956 4.956 1.239 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     3 and name      HN))      3.990 3.990 0.998 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid     3 and name      HN))      4.137 4.137 1.034 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name      HA))      4.253 4.253 1.063 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.794 3.794 0.949 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.396 3.396 0.849 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.367 3.367 0.842 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.660 3.660 0.915 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.387 3.387 0.847 ! 
assign ((resid     2 and name    HE22))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.863 3.863 0.966 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    14 and name    HG2#))      3.685 3.685 0.921 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    14 and name    HG2#))      3.888 3.888 0.972 ! 
assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.520 3.520 0.880 ! 
assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.520 3.520 0.880 ! 
assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.228 3.228 0.807 ! 
assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      2.950 2.950 0.738 ! 
assign ((resid     2 and name    HE21))   ((resid    14 and name    HG2#))      3.573 3.573 0.893 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.689 4.689 1.172 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.732 4.732 1.183 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.948 4.948 1.237 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      2.958 2.958 0.740 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.160 3.160 0.790 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.028 3.028 0.757 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.294 3.294 0.824 ! 
assign ((resid     2 and name      HA))   ((resid    15 and name      HN))      4.176 1.044 1.044 ! 
assign ((resid     2 and name      HA))   ((resid    16 and name      HA))      2.322 0.581 0.581 ! 
assign ((resid     2 and name      HA))   ((resid    16 and name      HA))      2.289 0.572 0.572 ! 
assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    16 and name      HA))      4.431 4.431 1.108 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    17 and name    HG2#))      3.985 3.985 0.996 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    17 and name    HG2#))      3.896 3.896 0.974 ! 
assign ((resid     2 and name      HA))   ((resid    17 and name      HN))      3.808 0.952 0.952 ! 
assign ((resid     2 and name      HN))   ((resid    63 and name      HA))      4.129 1.032 1.032 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.069 4.069 1.017 ! 
assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.751 3.751 0.938 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HD1#))      3.422 3.422 0.856 ! 
assign ((resid     3 and name      HA))   ((resid     3 and name    HG11) or 
                                           (resid     3 and name    HG12))      3.794 3.794 0.949 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HG11) or 
                                           (resid     3 and name    HG12))      4.479 4.479 1.120 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HG2#))      2.215 2.215 0.554 ! 
assign ((resid     3 and name      HA))   ((resid     3 and name      HN))      3.117 0.779 0.779 ! 
assign ((resid     3 and name      HB))   ((resid     3 and name    HD1#))      2.346 2.346 0.587 ! 
assign ((resid     3 and name      HB))   ((resid     3 and name      HN))      4.297 1.074 1.074 ! 
assign ((resid     3 and name    HD1#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.200 3.200 0.800 ! 
assign ((resid     3 and name    HD1#))   ((resid     3 and name      HB))      2.361 2.361 0.590 ! 
assign ((resid     3 and name    HD1#))   ((resid     3 and name      HN))      3.727 3.727 0.932 ! 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.832 3.832 0.958 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HN))      3.435 3.435 0.859 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HN))      3.301 3.301 0.825 ! 
assign ((resid     3 and name    HG2#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      2.094 2.094 0.523 ! 
assign ((resid     3 and name    HG2#))   ((resid     3 and name      HN))      3.291 3.291 0.823 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name      HA))      4.501 4.501 1.125 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name      HA))      4.728 4.728 1.182 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      4.598 4.598 1.149 ! 
assign ((resid     3 and name      HA))   ((resid     4 and name      HN))      2.251 0.563 0.563 ! 
assign ((resid     3 and name      HB))   ((resid     4 and name      HN))      2.372 0.593 0.593 ! 
assign ((resid     3 and name    HD1#))   ((resid     4 and name      HN))      4.064 4.064 1.016 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     4 and name      HA))      4.830 4.830 1.208 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     4 and name      HN))      4.252 4.252 1.063 ! 
assign ((resid     3 and name    HG2#))   ((resid     4 and name      HN))      3.294 3.294 0.824 ! 
assign ((resid     3 and name    HD1#))   ((resid     5 and name    HG2#))      2.614 2.614 0.653 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.635 3.635 0.909 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     5 and name    HG2#))      3.672 3.672 0.918 ! 
assign ((resid     3 and name    HG2#))   ((resid     5 and name    HG2#))      4.043 4.043 1.011 ! 
assign ((resid     3 and name      HN))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      4.145 4.145 1.036 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.765 3.765 0.941 ! 
assign ((resid     3 and name      HB))   ((resid    15 and name     HB*))      4.979 4.979 1.245 ! 
assign ((resid     3 and name      HB))   ((resid    15 and name     HB*))      4.902 4.902 1.226 ! 
assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.896 3.896 0.974 ! 
assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.486 3.486 0.872 ! 
assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.181 3.181 0.795 ! 
assign ((resid     3 and name    HD1#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      2.886 2.886 0.722 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name     HB*))      2.991 2.991 0.748 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name     HB*))      3.235 3.235 0.809 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name      HN))      4.395 4.395 1.099 ! 
assign ((resid     3 and name    HG2#))   ((resid    15 and name     HB*))      4.870 4.870 1.218 ! 
assign ((resid     3 and name    HG2#))   ((resid    15 and name     HB*))      4.444 4.444 1.111 ! 
assign ((resid     3 and name      HN))   ((resid    15 and name     HB*))      4.395 4.395 1.099 ! 
assign ((resid     3 and name      HN))   ((resid    16 and name      HA))      4.092 1.023 1.023 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    17 and name    HG2#))      4.766 4.766 1.192 ! 
assign ((resid     3 and name      HB))   ((resid    17 and name    HG2#))      4.323 4.323 1.081 ! 
assign ((resid     3 and name      HB))   ((resid    17 and name    HG2#))      4.414 4.414 1.103 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name      HB))      4.777 4.777 1.194 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name      HB))      4.191 4.191 1.048 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG1#))      2.413 2.413 0.603 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG1#))      2.376 2.376 0.594 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG2#))      2.315 2.315 0.579 ! 
assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG2#))      2.330 2.330 0.583 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG1#))      3.710 3.710 0.927 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      3.196 3.196 0.799 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      2.866 2.866 0.717 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      3.355 3.355 0.839 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      2.715 2.715 0.679 ! 
assign ((resid     3 and name    HG2#))   ((resid    17 and name      HB))      4.501 4.501 1.125 ! 
assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG1#))      3.510 3.510 0.877 ! 
assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG2#))      2.326 2.326 0.582 ! 
assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG2#))      2.205 2.205 0.551 ! 
assign ((resid     3 and name      HN))   ((resid    17 and name    HG2#))      3.808 3.808 0.952 ! 
assign ((resid     3 and name    HD1#))   ((resid    26 and name    HG2#))      2.925 2.925 0.731 ! 
assign ((resid     3 and name    HD1#))   ((resid    26 and name    HG2#))      3.083 3.083 0.771 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      2.773 2.773 0.693 ! 
assign ((resid     3 and name    HD1#))   ((resid    30 and name    HD1#))      4.110 4.110 1.028 ! 
assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2) or 
                                           (resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      4.752 4.752 1.188 ! 
assign ((resid     3 and name    HD1#))   ((resid    50 and name     HD*))      4.617 4.617 1.154 ! 
assign ((resid     3 and name    HD1#))   ((resid    56 and name     HD*))      2.917 2.917 0.729 ! 
assign ((resid     3 and name    HD1#))   ((resid    56 and name     HD*))      2.475 2.475 0.619 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    56 and name     HD*))      3.453 3.453 0.863 ! 
assign ((resid     3 and name    HG2#))   ((resid    56 and name     HD*))      3.290 3.290 0.823 ! 
assign ((resid     3 and name      HB))   ((resid    61 and name    HG2#))      4.113 4.113 1.028 ! 
assign ((resid     3 and name    HD1#))   ((resid    61 and name    HG2#))      2.712 2.712 0.678 ! 
assign ((resid     3 and name    HD1#))   ((resid    61 and name    HG2#))      2.793 2.793 0.698 ! 
assign ((resid     3 and name      HA))   ((resid    63 and name      HA))      4.501 1.125 1.125 ! 
assign ((resid     3 and name    HG2#))   ((resid    63 and name      HA))      2.909 2.909 0.727 ! 
assign ((resid     3 and name    HG2#))   ((resid    63 and name      HA))      2.736 2.736 0.684 ! 
assign ((resid     3 and name    HG2#))   ((resid    63 and name     HB1))      4.964 4.964 1.241 ! 
assign ((resid     3 and name    HG2#))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.855 4.855 1.214 ! 
assign ((resid     3 and name      HA))   ((resid    64 and name      HA))      2.726 0.681 0.681 ! 
assign ((resid     3 and name      HA))   ((resid    64 and name      HA))      2.756 0.689 0.689 ! 
assign ((resid     3 and name      HA))   ((resid    64 and name      HN))      3.138 0.784 0.784 ! 
assign ((resid     3 and name    HG2#))   ((resid    64 and name      HA))      4.166 4.166 1.042 ! 
assign ((resid     3 and name    HG2#))   ((resid    64 and name      HA))      4.115 4.115 1.029 ! 
assign ((resid     3 and name    HG2#))   ((resid    64 and name      HN))      3.171 3.171 0.793 ! 
assign ((resid     3 and name      HA))   ((resid    65 and name      HN))      3.450 0.863 0.863 ! 
assign ((resid     3 and name      HB))   ((resid    65 and name     HB1))      4.787 1.197 1.197 ! 
assign ((resid     3 and name      HB))   ((resid    65 and name     HB2))      4.202 1.050 1.050 ! 
assign ((resid     3 and name      HB))   ((resid    65 and name     HB2))      4.377 1.094 1.094 ! 
assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB1))      4.651 4.651 1.163 ! 
assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB2))      4.602 4.602 1.151 ! 
assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB2))      4.609 4.609 1.152 ! 
assign ((resid     3 and name    HG2#))   ((resid    65 and name      HA))      4.745 4.745 1.186 ! 
assign ((resid     3 and name    HG2#))   ((resid    65 and name     HB1))      3.779 3.779 0.945 ! 
assign ((resid     3 and name    HG2#))   ((resid    65 and name     HB2))      3.157 3.157 0.789 ! 
assign ((resid     3 and name    HG2#))   ((resid    65 and name      HN))      2.735 2.735 0.684 ! 
assign ((resid     3 and name      HB))   ((resid    66 and name      HA))      4.934 1.234 1.234 ! 
assign ((resid     3 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.312 3.312 0.828 ! 
assign ((resid     3 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.305 3.305 0.826 ! 
assign ((resid     3 and name    HD1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      4.708 4.708 1.177 ! 
assign ((resid     3 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.534 2.534 0.633 ! 
assign ((resid     3 and name    HD1#))   ((resid    67 and name      HG))      3.567 3.567 0.892 ! 
assign ((resid     3 and name    HD1#))   ((resid    67 and name      HG))      3.551 3.551 0.888 ! 
assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12) or 
        (resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.931 4.931 1.233 ! 
assign ((resid     4 and name      HA))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.798 2.798 0.700 ! 
assign ((resid     4 and name      HA))   ((resid     4 and name      HN))      3.414 0.854 0.854 ! 
assign ((resid     4 and name     HB1))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.921 2.921 0.730 ! 
assign ((resid     4 and name     HB1))   ((resid     4 and name      HN))      3.678 0.919 0.919 ! 
assign ((resid     4 and name     HB2))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.861 2.861 0.715 ! 
assign ((resid     4 and name     HB2))   ((resid     4 and name      HN))      3.124 0.781 0.781 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name      HA))      2.773 2.773 0.693 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name     HB1))      2.923 2.923 0.731 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name     HB2))      2.919 2.919 0.730 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name      HN))      3.941 3.941 0.985 ! 
assign ((resid     4 and name      HA))   ((resid     5 and name      HA))      4.780 1.195 1.195 ! 
assign ((resid     4 and name      HA))   ((resid     5 and name    HG2#))      3.717 3.717 0.929 ! 
assign ((resid     4 and name      HA))   ((resid     5 and name    HG2#))      3.697 3.697 0.924 ! 
assign ((resid     4 and name      HA))   ((resid     5 and name      HN))      2.199 0.550 0.550 ! 
assign ((resid     4 and name     HB1) or 
        (resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     5 and name      HN))      3.316 3.316 0.829 ! 
assign ((resid     4 and name     HB2))   ((resid     5 and name      HN))      4.201 1.050 1.050 ! 
assign ((resid     4 and name      HA))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.335 3.335 0.834 ! 
assign ((resid     4 and name      HA))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.982 2.982 0.746 ! 
assign ((resid     4 and name     HB1))   ((resid    12 and name      HB))      4.777 1.194 1.194 ! 
assign ((resid     4 and name     HB1))   ((resid    12 and name    HG2#))      2.317 2.317 0.579 ! 
assign ((resid     4 and name     HB1))   ((resid    12 and name    HG2#))      2.430 2.430 0.608 ! 
assign ((resid     4 and name     HB2))   ((resid    12 and name    HG2#))      3.126 3.126 0.781 ! 
assign ((resid     4 and name     HB2))   ((resid    12 and name    HG2#))      2.861 2.861 0.715 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.905 2.905 0.726 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.638 2.638 0.659 ! 
assign ((resid     4 and name      HA))   ((resid    14 and name      HA))      2.274 0.569 0.569 ! 
assign ((resid     4 and name      HA))   ((resid    14 and name      HA))      2.354 0.589 0.589 ! 
assign ((resid     4 and name      HA))   ((resid    14 and name      HB))      4.542 1.135 1.135 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HA))      2.973 2.973 0.743 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HA))      3.175 3.175 0.794 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HB))      4.830 4.830 1.208 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    14 and name    HG2#))      3.193 3.193 0.798 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    14 and name    HG2#))      3.439 3.439 0.860 ! 
assign ((resid     4 and name      HA))   ((resid    15 and name      HN))      3.819 0.955 0.955 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    64 and name      HA))      3.966 3.966 0.992 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name      HA))      3.287 3.287 0.822 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name      HA))      3.630 3.630 0.907 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB1))      3.824 3.824 0.956 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB1))      3.653 3.653 0.913 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB2))      4.023 4.023 1.006 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.666 4.666 1.167 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.435 4.435 1.109 ! 
assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.503 4.503 1.126 ! 
assign ((resid     4 and name      HA))   ((resid    66 and name      HA))      4.522 1.131 1.131 ! 
assign ((resid     4 and name      HA))   ((resid    66 and name      HA))      4.598 1.149 1.149 ! 
assign ((resid     4 and name      HA))   ((resid    66 and name    HG2#))      4.918 4.918 1.230 ! 
assign ((resid     4 and name     HB1))   ((resid    66 and name      HA))      3.145 0.786 0.786 ! 
assign ((resid     4 and name     HB1))   ((resid    66 and name      HA))      2.894 0.724 0.724 ! 
assign ((resid     4 and name     HB1))   ((resid    66 and name    HG2#))      2.890 2.890 0.723 ! 
assign ((resid     4 and name     HB2))   ((resid    66 and name      HA))      2.515 0.629 0.629 ! 
assign ((resid     4 and name     HB2))   ((resid    66 and name      HA))      2.601 0.650 0.650 ! 
assign ((resid     4 and name     HB2))   ((resid    66 and name    HG2#))      3.131 3.131 0.783 ! 
assign ((resid     4 and name     HB2))   ((resid    66 and name    HG2#))      3.075 3.075 0.769 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name      HA))      3.930 3.930 0.983 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name      HA))      4.051 4.051 1.013 ! 
assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name    HG2#))      4.748 4.748 1.187 ! 
assign ((resid     4 and name      HN))   ((resid    66 and name      HA))      3.151 0.788 0.788 ! 
assign ((resid     4 and name      HN))   ((resid    66 and name    HG2#))      4.416 4.416 1.104 ! 
assign ((resid     5 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      2.196 2.196 0.549 ! 
assign ((resid     5 and name      HA))   ((resid     5 and name    HG2#))      2.150 2.150 0.537 ! 
assign ((resid     5 and name      HA))   ((resid     5 and name      HN))      3.353 0.838 0.838 ! 
assign ((resid     5 and name      HB))   ((resid     5 and name      HN))      2.741 0.685 0.685 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     5 and name      HA))      2.138 2.138 0.534 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     5 and name      HN))      4.016 4.016 1.004 ! 
assign ((resid     5 and name    HG2#))   ((resid     5 and name      HA))      2.163 2.163 0.541 ! 
assign ((resid     5 and name    HG2#))   ((resid     5 and name      HN))      2.862 2.862 0.716 ! 
assign ((resid     5 and name      HA))   ((resid     6 and name      HN))      2.219 0.555 0.555 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     6 and name      HA))      3.879 3.879 0.970 ! 
assign ((resid     5 and name    HG1#))   ((resid     6 and name      HN))      3.013 3.013 0.753 ! 
assign ((resid     5 and name    HG2#))   ((resid     6 and name      HN))      4.050 4.050 1.012 ! 
assign ((resid     5 and name      HB))   ((resid     7 and name    HG2#))      4.503 4.503 1.126 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name      HA))      3.913 3.913 0.978 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name      HA))      3.772 3.772 0.943 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name    HG2#))      2.840 2.840 0.710 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name    HG2#))      2.892 2.892 0.723 ! 
assign ((resid     5 and name      HN))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.240 3.240 0.810 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name      HA))      4.815 1.204 1.204 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name      HB))      2.429 0.607 0.607 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name      HB))      2.578 0.644 0.644 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HD1#))      2.785 2.785 0.696 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HD1#))      2.944 2.944 0.736 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.145 3.145 0.786 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      2.986 2.986 0.747 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.025 3.025 0.756 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.200 3.200 0.800 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name    HG2#))      3.525 3.525 0.881 ! 
assign ((resid     5 and name      HB))   ((resid    13 and name      HN))      4.100 1.025 1.025 ! 
assign ((resid     5 and name    HG1#))   ((resid    13 and name      HB))      3.426 3.426 0.857 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    13 and name      HB))      3.847 3.847 0.962 ! 
assign ((resid     5 and name    HG1#))   ((resid    13 and name    HD1#))      2.989 2.989 0.747 ! 
assign ((resid     5 and name    HG1#))   ((resid    13 and name    HD1#))      3.359 3.359 0.840 ! 
assign ((resid     5 and name    HG1#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.232 4.232 1.058 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name      HB))      3.422 3.422 0.856 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.112 3.112 0.778 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.439 4.439 1.110 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      2.986 2.986 0.747 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.555 4.555 1.139 ! 
assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG2#))      3.896 3.896 0.974 ! 
assign ((resid     5 and name      HN))   ((resid    13 and name      HB))      3.727 0.932 0.932 ! 
assign ((resid     5 and name    HG2#))   ((resid    14 and name      HA))      4.939 4.939 1.235 ! 
assign ((resid     5 and name    HG2#))   ((resid    14 and name      HA))      4.881 4.881 1.220 ! 
assign ((resid     5 and name      HN))   ((resid    14 and name      HA))      3.783 0.946 0.946 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    15 and name     HB*))      2.864 2.864 0.716 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    15 and name     HB*))      2.958 2.958 0.740 ! 
assign ((resid     5 and name    HG2#))   ((resid    15 and name     HB*))      4.045 4.045 1.011 ! 
assign ((resid     5 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.515 2.515 0.629 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    16 and name      HA))      3.751 3.751 0.938 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    17 and name      HA))      2.038 2.038 0.509 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      4.794 4.794 1.198 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    21 and name     HB2))      4.619 4.619 1.155 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.252 3.252 0.813 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      2.991 2.991 0.748 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.109 3.109 0.777 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.213 4.213 1.053 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.966 3.966 0.992 ! 
assign ((resid     5 and name      HB))   ((resid    30 and name    HD1#))      3.863 3.863 0.966 ! 
assign ((resid     5 and name      HB))   ((resid    30 and name    HD1#))      4.101 4.101 1.025 ! 
assign ((resid     5 and name    HG2#))   ((resid    30 and name      HB))      4.910 4.910 1.228 ! 
assign ((resid     5 and name    HG2#))   ((resid    30 and name    HD1#))      2.290 2.290 0.573 ! 
assign ((resid     5 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.230 4.230 1.058 ! 
assign ((resid     5 and name      HA))   ((resid    43 and name     HD*))      4.730 4.730 1.183 ! 
assign ((resid     5 and name      HA))   ((resid    66 and name      HA))      3.765 0.941 0.941 ! 
assign ((resid     5 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.363 3.363 0.841 ! 
assign ((resid     5 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.367 3.367 0.842 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.528 4.528 1.132 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      2.762 2.762 0.691 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      3.235 3.235 0.809 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.425 4.425 1.106 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name      HG))      4.438 1.109 1.109 ! 
assign ((resid     5 and name      HA))   ((resid    67 and name      HN))      3.032 0.758 0.758 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.950 4.950 1.238 ! 
assign ((resid     5 and name    HG1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.450 2.450 0.613 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.493 2.493 0.623 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name      HA))      4.643 4.643 1.161 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.976 4.976 1.244 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.700 2.700 0.675 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.467 2.467 0.617 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name      HG))      3.779 3.779 0.945 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name      HG))      3.486 3.486 0.872 ! 
assign ((resid     5 and name    HG2#))   ((resid    67 and name      HN))      3.965 3.965 0.991 ! 
assign ((resid     5 and name      HA))   ((resid    69 and name     HB2))      4.361 1.090 1.090 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name      HA))      3.630 3.630 0.907 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name      HA))      3.472 3.472 0.868 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name     HB2))      2.488 2.488 0.622 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    69 and name     HB2))      2.389 2.389 0.597 ! 
assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.713 2.713 0.678 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name      HG))      3.491 3.491 0.873 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name      HG))      3.422 3.422 0.856 ! 
assign ((resid     5 and name    HG1#))   ((resid    69 and name      HN))      3.386 3.386 0.847 ! 
assign ((resid     6 and name      HA))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      4.226 4.226 1.056 ! 
assign ((resid     6 and name      HA))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2))      3.439 3.439 0.860 ! 
assign ((resid     6 and name      HA))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2) or 
                                           (resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.305 3.305 0.826 ! 
assign ((resid     6 and name      HA))   ((resid     6 and name      HN))      3.190 0.797 0.797 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name     HD1) or 
                                           (resid     6 and name     HD2))      2.806 2.806 0.702 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      3.801 3.801 0.950 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name      HN))      2.962 2.962 0.741 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name     HD1) or 
                                           (resid     6 and name     HD2))      3.187 3.187 0.797 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      3.847 3.847 0.962 ! 
assign ((resid     6 and name     HB*))   ((resid     6 and name      HN))      3.237 3.237 0.809 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name      HA))      3.172 3.172 0.793 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name     HB*))      2.616 2.616 0.654 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name     HB*))      2.792 2.792 0.698 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name      HA))      4.538 4.538 1.135 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid     6 and name     HB*))      4.278 4.278 1.069 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name     HB*))      3.871 3.871 0.968 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2))      3.312 3.312 0.828 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2) or 
                                           (resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      2.672 2.672 0.668 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     6 and name      HA))      3.190 3.190 0.797 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     6 and name      HA))      3.131 3.131 0.783 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2) or 
                                           (resid    11 and name     HE1) or 
                                           (resid    11 and name     HE2))      2.847 2.847 0.712 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2) or 
                                           (resid    11 and name     HE1) or 
                                           (resid    11 and name     HE2))      2.750 2.750 0.688 ! 
assign ((resid     6 and name      HA))   ((resid     7 and name      HA))      4.560 1.140 1.140 ! 
assign ((resid     6 and name      HA))   ((resid     7 and name    HG2#))      3.515 3.515 0.879 ! 
assign ((resid     6 and name      HA))   ((resid     7 and name      HN))      1.939 0.485 0.485 ! 
assign ((resid     6 and name     HB*))   ((resid     7 and name      HN))      4.201 4.201 1.050 ! 
assign ((resid     6 and name     HB*))   ((resid     7 and name      HN))      3.793 3.793 0.948 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     7 and name      HN))      4.395 4.395 1.099 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     7 and name      HN))      4.459 4.459 1.115 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    10 and name     HA*))      4.697 4.697 1.174 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    10 and name     HA*))      4.494 4.494 1.123 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid    10 and name     HA*))      4.127 4.127 1.032 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    10 and name     HA*))      4.835 4.835 1.209 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    10 and name     HA*))      4.617 4.617 1.154 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name      HA))      4.586 4.586 1.147 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name      HA))      4.741 4.741 1.185 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HB*))      4.033 4.033 1.008 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HB*))      4.248 4.248 1.062 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.148 3.148 0.787 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HN))      4.325 4.325 1.081 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name      HA))      2.117 0.529 0.529 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name      HA))      2.094 0.523 0.523 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name      HB))      4.825 1.206 1.206 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name      HB))      4.748 1.187 1.187 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name    HG2#))      3.154 3.154 0.788 ! 
assign ((resid     6 and name      HA))   ((resid    12 and name    HG2#))      3.080 3.080 0.770 ! 
assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.452 4.452 1.113 ! 
assign ((resid     6 and name     HB*))   ((resid    12 and name    HG2#))      3.863 3.863 0.966 ! 
assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.602 4.602 1.151 ! 
assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.743 4.743 1.186 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name      HA))      4.275 4.275 1.069 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name      HA))      3.744 3.744 0.936 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name    HG2#))      4.103 4.103 1.026 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name    HG2#))      3.404 3.404 0.851 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name      HA))      4.236 4.236 1.059 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name      HA))      3.816 3.816 0.954 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HA))      4.086 4.086 1.022 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HA))      4.046 4.046 1.012 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HB))      4.891 4.891 1.223 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name    HG2#))      3.697 3.697 0.924 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name    HG2#))      3.772 3.772 0.943 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HN))      3.727 3.727 0.932 ! 
assign ((resid     6 and name      HA))   ((resid    13 and name      HN))      3.750 0.938 0.938 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HD1#))      4.157 4.157 1.039 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HD1#))      4.590 4.590 1.147 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HG2#))      4.598 4.598 1.149 ! 
assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.640 2.640 0.660 ! 
assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.872 2.872 0.718 ! 
assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.140 3.140 0.785 ! 
assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.181 3.181 0.795 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.909 2.909 0.727 ! 
assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.568 2.568 0.642 ! 
assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.747 2.747 0.687 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.481 3.481 0.870 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.134 3.134 0.783 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.222 3.222 0.805 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.883 2.883 0.721 ! 
assign ((resid     6 and name      HN))   ((resid    66 and name    HG2#))      3.383 3.383 0.846 ! 
assign ((resid     6 and name     HB*))   ((resid    68 and name     HE1))      4.891 4.891 1.223 ! 
assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    68 and name      HA))      4.579 4.579 1.145 ! 
assign ((resid     6 and name      HN))   ((resid    68 and name      HA))      2.970 0.743 0.743 ! 
assign ((resid     7 and name      HA))   ((resid     7 and name    HG2#))      2.205 2.205 0.551 ! 
assign ((resid     7 and name      HA))   ((resid     7 and name      HN))      3.035 0.759 0.759 ! 
assign ((resid     7 and name      HB))   ((resid     7 and name      HN))      4.129 1.032 1.032 ! 
assign ((resid     7 and name    HG2#))   ((resid     7 and name      HA))      2.262 2.262 0.566 ! 
assign ((resid     7 and name    HG2#))   ((resid     7 and name      HN))      2.326 2.326 0.582 ! 
assign ((resid     7 and name      HA))   ((resid     8 and name      HA))      4.186 1.046 1.046 ! 
assign ((resid     7 and name      HA))   ((resid     8 and name      HA))      4.678 1.169 1.169 ! 
assign ((resid     7 and name      HA))   ((resid     8 and name      HG))      4.725 1.181 1.181 ! 
assign ((resid     7 and name      HA))   ((resid     8 and name      HN))      2.454 0.614 0.614 ! 
assign ((resid     7 and name      HB))   ((resid     8 and name      HA))      4.590 1.147 1.147 ! 
assign ((resid     7 and name      HB))   ((resid     8 and name      HN))      2.386 0.597 0.597 ! 
assign ((resid     7 and name    HG2#))   ((resid     8 and name      HN))      3.444 3.444 0.861 ! 
assign ((resid     7 and name      HA))   ((resid     9 and name      HN))      4.306 1.077 1.077 ! 
assign ((resid     7 and name      HB))   ((resid     9 and name      HN))      3.309 0.827 0.827 ! 
assign ((resid     7 and name      HB))   ((resid    11 and name     HB*))      4.710 4.710 1.177 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name      HA))      4.920 4.920 1.230 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name     HB*))      2.756 2.756 0.689 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.871 3.871 0.968 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.343 3.343 0.836 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      4.352 4.352 1.088 ! 
assign ((resid     7 and name    HG2#))   ((resid    11 and name      HN))      3.779 3.779 0.945 ! 
assign ((resid     7 and name    HG2#))   ((resid    12 and name      HA))      4.052 4.052 1.013 ! 
assign ((resid     7 and name      HN))   ((resid    12 and name      HA))      3.587 0.897 0.897 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HD1#))      2.373 2.373 0.593 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HD1#))      2.460 2.460 0.615 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.453 3.453 0.863 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      3.520 3.520 0.880 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.404 3.404 0.851 ! 
assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.444 3.444 0.861 ! 
assign ((resid     7 and name    HG2#))   ((resid    30 and name    HD1#))      4.937 4.937 1.234 ! 
assign ((resid     7 and name    HG2#))   ((resid    30 and name    HG2#))      4.364 4.364 1.091 ! 
assign ((resid     7 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.824 3.824 0.956 ! 
assign ((resid     7 and name    HG2#))   ((resid    36 and name    HD1#))      3.704 3.704 0.926 ! 
assign ((resid     7 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.894 2.894 0.724 ! 
assign ((resid     7 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.863 2.863 0.716 ! 
assign ((resid     7 and name      HB))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.339 4.339 1.085 ! 
assign ((resid     7 and name    HG2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      3.157 3.157 0.789 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name      HA))      4.657 1.164 1.164 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name     HB2))      3.562 0.890 0.890 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name     HB2))      3.510 0.877 0.877 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.567 3.567 0.892 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.301 3.301 0.825 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.801 3.801 0.950 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name      HG))      4.328 1.082 1.082 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name      HG))      4.355 1.089 1.089 ! 
assign ((resid     7 and name      HA))   ((resid    69 and name      HN))      3.546 0.886 0.886 ! 
assign ((resid     7 and name      HB))   ((resid    69 and name     HB1))      4.435 1.109 1.109 ! 
assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.606 3.606 0.901 ! 
assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.896 3.896 0.974 ! 
assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.588 4.588 1.147 ! 
assign ((resid     7 and name    HG2#))   ((resid    69 and name     HB1))      3.589 3.589 0.897 ! 
assign ((resid     7 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.525 2.525 0.631 ! 
assign ((resid     7 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.328 2.328 0.582 ! 
assign ((resid     8 and name      HA))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      3.166 3.166 0.791 ! 
assign ((resid     8 and name      HA))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.350 2.350 0.588 ! 
assign ((resid     8 and name      HA))   ((resid     8 and name      HG))      3.316 0.829 0.829 ! 
assign ((resid     8 and name      HA))   ((resid     8 and name      HN))      2.864 0.716 0.716 ! 
assign ((resid     8 and name     HB*))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.773 2.773 0.693 ! 
assign ((resid     8 and name     HB*))   ((resid     8 and name      HN))      3.222 3.222 0.805 ! 
assign ((resid     8 and name     HB*))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.803 2.803 0.701 ! 
assign ((resid     8 and name     HB*))   ((resid     8 and name      HN))      2.553 2.553 0.638 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HA))      3.262 3.262 0.816 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HA))      2.419 2.419 0.605 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name     HB*))      2.723 2.723 0.681 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HN))      4.168 4.168 1.042 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HN))      4.184 4.184 1.046 ! 
assign ((resid     8 and name      HG))   ((resid     8 and name      HA))      3.391 0.848 0.848 ! 
assign ((resid     8 and name      HG))   ((resid     8 and name      HN))      2.936 0.734 0.734 ! 
assign ((resid     8 and name      HA))   ((resid     9 and name      HA))      4.676 1.169 1.169 ! 
assign ((resid     8 and name      HA))   ((resid     9 and name    HG2#))      4.298 4.298 1.075 ! 
assign ((resid     8 and name      HA))   ((resid     9 and name    HG2#))      4.501 4.501 1.125 ! 
assign ((resid     8 and name      HA))   ((resid     9 and name      HN))      3.369 0.842 0.842 ! 
assign ((resid     8 and name     HB*))   ((resid     9 and name    HG2#))      3.744 3.744 0.936 ! 
assign ((resid     8 and name     HB*))   ((resid     9 and name      HN))      3.783 3.783 0.946 ! 
assign ((resid     8 and name     HB*))   ((resid     9 and name    HG2#))      3.710 3.710 0.927 ! 
assign ((resid     8 and name     HB*))   ((resid     9 and name      HN))      3.713 3.713 0.928 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     9 and name    HG2#))      4.165 4.165 1.041 ! 
assign ((resid     8 and name      HG))   ((resid     9 and name    HG2#))      4.107 4.107 1.027 ! 
assign ((resid     8 and name      HA))   ((resid    10 and name      HN))      3.713 0.928 0.928 ! 
assign ((resid     8 and name      HG))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.808 4.808 1.202 ! 
assign ((resid     8 and name     HB*))   ((resid    70 and name      HA))      4.777 4.777 1.194 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.847 3.847 0.962 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.816 3.816 0.954 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.439 3.439 0.860 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.536 3.536 0.884 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name    HG2#))      3.359 3.359 0.840 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name    HG2#))      3.697 3.697 0.924 ! 
assign ((resid     8 and name      HG))   ((resid    70 and name      HA))      4.639 1.160 1.160 ! 
assign ((resid     8 and name      HG))   ((resid    70 and name      HA))      4.155 1.039 1.039 ! 
assign ((resid     8 and name      HG))   ((resid    70 and name    HG2#))      4.761 4.761 1.190 ! 
assign ((resid     8 and name      HG))   ((resid    70 and name    HG2#))      4.670 4.670 1.167 ! 
assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#) or 
        (resid    69 and name     HD*) or 
        (resid    71 and name     HD*))   ((resid    71 and name      HN))      4.209 4.209 1.052 ! 
assign ((resid     9 and name      HA))   ((resid     9 and name    HG2#))      2.150 2.150 0.537 ! 
assign ((resid     9 and name      HA))   ((resid     9 and name      HN))      2.913 0.728 0.728 ! 
assign ((resid     9 and name      HB))   ((resid     9 and name      HN))      4.114 1.028 1.028 ! 
assign ((resid     9 and name    HG2#))   ((resid     9 and name      HA))      2.113 2.113 0.528 ! 
assign ((resid     9 and name    HG2#))   ((resid     9 and name      HN))      2.623 2.623 0.656 ! 
assign ((resid     9 and name      HA))   ((resid    10 and name      HN))      3.240 0.810 0.810 ! 
assign ((resid     9 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      4.374 4.374 1.093 ! 
assign ((resid    10 and name     HA*))   ((resid    10 and name      HN))      2.809 2.809 0.702 ! 
assign ((resid    10 and name     HA*))   ((resid    10 and name      HN))      2.335 2.335 0.584 ! 
assign ((resid    10 and name     HA*))   ((resid    11 and name      HN))      3.554 3.554 0.888 ! 
assign ((resid    10 and name     HA*))   ((resid    11 and name      HN))      3.388 3.388 0.847 ! 
assign ((resid    11 and name      HA))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.551 3.551 0.888 ! 
assign ((resid    11 and name      HA))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.212 3.212 0.803 ! 
assign ((resid    11 and name      HA))   ((resid    11 and name      HN))      2.773 0.693 0.693 ! 
assign ((resid    11 and name     HB*) or 
        (resid    11 and name     HB*))   ((resid    11 and name      HN))      2.495 2.495 0.624 ! 
assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    11 and name      HA))      3.444 3.444 0.861 ! 
assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HA))      2.991 2.991 0.748 ! 
assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HN))      4.107 4.107 1.027 ! 
assign ((resid    11 and name      HA))   ((resid    12 and name      HA))      4.544 1.136 1.136 ! 
assign ((resid    11 and name      HA))   ((resid    12 and name      HA))      4.796 1.199 1.199 ! 
assign ((resid    11 and name      HA))   ((resid    12 and name      HB))      4.682 1.171 1.171 ! 
assign ((resid    11 and name      HA))   ((resid    12 and name      HB))      4.883 1.221 1.221 ! 
assign ((resid    11 and name      HA))   ((resid    12 and name      HN))      1.932 0.483 0.483 ! 
assign ((resid    11 and name     HB*) or 
        (resid    11 and name     HB*))   ((resid    12 and name      HN))      3.508 3.508 0.877 ! 
assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HN))      3.888 3.888 0.972 ! 
assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    13 and name    HD1#))      4.332 4.332 1.083 ! 
assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    13 and name    HG2#))      4.342 4.342 1.085 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HD1#))      3.751 3.751 0.938 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12))      4.695 4.695 1.174 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.316 4.316 1.079 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.226 4.226 1.056 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG2#))      3.496 3.496 0.874 ! 
assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG2#))      3.453 3.453 0.863 ! 
assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HG2#))      4.515 4.515 1.129 ! 
assign ((resid    12 and name      HA))   ((resid    12 and name    HG2#))      2.142 2.142 0.535 ! 
assign ((resid    12 and name      HA))   ((resid    12 and name      HN))      3.220 0.805 0.805 ! 
assign ((resid    12 and name      HB))   ((resid    12 and name      HN))      2.495 0.624 0.624 ! 
assign ((resid    12 and name    HG2#))   ((resid    12 and name      HA))      2.150 2.150 0.537 ! 
assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    12 and name      HN))      3.678 3.678 0.919 ! 
assign ((resid    12 and name      HA))   ((resid    13 and name      HA))      4.680 1.170 1.170 ! 
assign ((resid    12 and name      HA))   ((resid    13 and name    HD1#))      4.693 4.693 1.173 ! 
assign ((resid    12 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      4.535 4.535 1.134 ! 
assign ((resid    12 and name      HA))   ((resid    13 and name    HG2#))      4.328 4.328 1.082 ! 
assign ((resid    12 and name      HA))   ((resid    13 and name      HN))      2.213 0.553 0.553 ! 
assign ((resid    12 and name    HG2#))   ((resid    13 and name      HA))      3.948 3.948 0.987 ! 
assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    13 and name      HA))      3.578 3.578 0.894 ! 
assign ((resid    12 and name    HG2#))   ((resid    13 and name    HG2#))      4.508 4.508 1.127 ! 
assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    13 and name      HN))      2.876 2.876 0.719 ! 
assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    14 and name      HN))      3.495 3.495 0.874 ! 
assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    15 and name      HN))      2.819 2.819 0.705 ! 
assign ((resid    12 and name    HG2#))   ((resid    66 and name      HA))      4.987 4.987 1.247 ! 
assign ((resid    13 and name      HA))   ((resid    13 and name    HD1#))      3.717 3.717 0.929 ! 
assign ((resid    13 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.070 3.070 0.767 ! 
assign ((resid    13 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      3.080 3.080 0.770 ! 
assign ((resid    13 and name      HA))   ((resid    13 and name    HG2#))      2.268 2.268 0.567 ! 
assign ((resid    13 and name      HA))   ((resid    13 and name      HN))      3.240 0.810 0.810 ! 
assign ((resid    13 and name      HB))   ((resid    13 and name    HD1#))      2.470 2.470 0.618 ! 
assign ((resid    13 and name      HB))   ((resid    13 and name      HN))      2.960 0.740 0.740 ! 
assign ((resid    13 and name    HD1#))   ((resid    13 and name      HA))      3.408 3.408 0.852 ! 
assign ((resid    13 and name    HD1#))   ((resid    13 and name      HB))      2.328 2.328 0.582 ! 
assign ((resid    13 and name    HD1#))   ((resid    13 and name      HN))      4.122 4.122 1.030 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    13 and name      HA))      2.819 2.819 0.705 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    15 and name      HG))   ((resid    13 and name      HA))      2.969 2.969 0.742 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    15 and name      HG))   ((resid    13 and name      HN))      3.233 3.233 0.808 ! 
assign ((resid    13 and name    HG2#))   ((resid    13 and name      HA))      2.142 2.142 0.535 ! 
assign ((resid    13 and name    HG2#))   ((resid    13 and name      HN))      3.602 3.602 0.900 ! 
assign ((resid    13 and name      HA))   ((resid    14 and name      HA))      4.564 1.141 1.141 ! 
assign ((resid    13 and name      HA))   ((resid    14 and name      HN))      2.101 0.525 0.525 ! 
assign ((resid    13 and name      HB))   ((resid    14 and name      HN))      3.184 0.796 0.796 ! 
assign ((resid    13 and name    HG2#))   ((resid    14 and name      HA))      4.172 4.172 1.043 ! 
assign ((resid    13 and name    HG2#))   ((resid    14 and name      HA))      4.071 4.071 1.018 ! 
assign ((resid    13 and name    HG2#))   ((resid    14 and name      HB))      4.672 4.672 1.168 ! 
assign ((resid    13 and name    HG2#))   ((resid    14 and name      HN))      2.849 2.849 0.712 ! 
assign ((resid    13 and name    HG2#))   ((resid    15 and name      HA))      4.623 4.623 1.156 ! 
assign ((resid    13 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.080 3.080 0.770 ! 
assign ((resid    13 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.386 2.386 0.597 ! 
assign ((resid    13 and name    HD1#))   ((resid    30 and name      HA))      3.375 3.375 0.844 ! 
assign ((resid    13 and name    HD1#))   ((resid    30 and name      HA))      3.359 3.359 0.840 ! 
assign ((resid    13 and name    HD1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.346 4.346 1.087 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12))   ((resid    30 and name    HD1#))      3.879 3.879 0.970 ! 
assign ((resid    13 and name    HG2#))   ((resid    30 and name      HA))      3.730 3.730 0.932 ! 
assign ((resid    13 and name    HG2#))   ((resid    30 and name      HA))      3.717 3.717 0.929 ! 
assign ((resid    13 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.118 4.118 1.030 ! 
assign ((resid    13 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.164 4.164 1.041 ! 
assign ((resid    13 and name    HD1#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.855 3.855 0.964 ! 
assign ((resid    13 and name    HD1#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.422 3.422 0.856 ! 
assign ((resid    13 and name    HD1#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.581 4.581 1.145 ! 
assign ((resid    13 and name    HD1#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.855 3.855 0.964 ! 
assign ((resid    13 and name    HD1#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.801 3.801 0.950 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HB1))      3.557 3.557 0.889 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HB2))      3.589 3.589 0.897 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.157 3.157 0.789 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.747 2.747 0.687 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.779 3.779 0.945 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.839 3.839 0.960 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.160 3.160 0.790 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.209 3.209 0.802 ! 
assign ((resid    13 and name    HG2#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.190 3.190 0.797 ! 
assign ((resid    13 and name    HD1#))   ((resid    34 and name     HB*))      3.772 3.772 0.943 ! 
assign ((resid    13 and name    HD1#))   ((resid    34 and name     HB*))      4.258 4.258 1.065 ! 
assign ((resid    13 and name    HD1#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.634 2.634 0.658 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.493 4.493 1.123 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.047 4.047 1.012 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.158 4.158 1.040 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.185 4.185 1.046 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.704 3.704 0.926 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.794 3.794 0.949 ! 
assign ((resid    13 and name    HG2#))   ((resid    34 and name      HA))      4.904 4.904 1.226 ! 
assign ((resid    13 and name    HG2#))   ((resid    34 and name     HB*))      4.653 4.653 1.163 ! 
assign ((resid    13 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.215 3.215 0.804 ! 
assign ((resid    13 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.391 3.391 0.848 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HA))      2.911 2.911 0.728 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HA))      2.896 2.896 0.724 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HN))      2.640 2.640 0.660 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HN))      3.383 3.383 0.846 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.416 4.416 1.104 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.242 4.242 1.060 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.771 4.771 1.193 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    42 and name      HA))      2.784 2.784 0.696 ! 
assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    70 and name      HB))      4.319 4.319 1.080 ! 
assign ((resid    14 and name      HA))   ((resid    14 and name    HG2#))      2.268 2.268 0.567 ! 
assign ((resid    14 and name      HA))   ((resid    14 and name      HN))      3.106 0.776 0.776 ! 
assign ((resid    14 and name      HB))   ((resid    14 and name      HN))      2.495 0.624 0.624 ! 
assign ((resid    14 and name    HG2#))   ((resid    14 and name      HA))      2.172 2.172 0.543 ! 
assign ((resid    14 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      4.976 4.976 1.244 ! 
assign ((resid    14 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      4.505 4.505 1.126 ! 
assign ((resid    14 and name      HA))   ((resid    15 and name      HN))      2.032 0.508 0.508 ! 
assign ((resid    14 and name      HB))   ((resid    15 and name      HN))      3.808 0.952 0.952 ! 
assign ((resid    14 and name    HG2#))   ((resid    15 and name      HA))      4.239 4.239 1.060 ! 
assign ((resid    14 and name    HG2#))   ((resid    15 and name      HA))      3.904 3.904 0.976 ! 
assign ((resid    14 and name    HG2#))   ((resid    16 and name      HA))      4.979 4.979 1.245 ! 
assign ((resid    15 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.309 3.309 0.827 ! 
assign ((resid    15 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.051 2.051 0.513 ! 
assign ((resid    15 and name      HA))   ((resid    15 and name      HN))      3.095 0.774 0.774 ! 
assign ((resid    15 and name     HB*))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      2.348 2.348 0.587 ! 
assign ((resid    15 and name     HB*))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.565 2.565 0.641 ! 
assign ((resid    15 and name     HB*))   ((resid    15 and name      HN))      3.745 3.745 0.936 ! 
assign ((resid    15 and name     HB*))   ((resid    15 and name      HN))      3.045 3.045 0.761 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HA))      3.573 3.573 0.893 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.859 2.859 0.715 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.870 2.870 0.718 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    56 and name     HD*))   ((resid    15 and name      HN))      4.395 4.395 1.099 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HA))      2.117 2.117 0.529 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.946 2.946 0.737 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      3.134 3.134 0.783 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HN))      4.010 4.010 1.002 ! 
assign ((resid    15 and name      HA))   ((resid    16 and name     HB*))      4.695 4.695 1.174 ! 
assign ((resid    15 and name      HA))   ((resid    16 and name      HN))      2.043 0.511 0.511 ! 
assign ((resid    15 and name     HB*))   ((resid    16 and name      HN))      3.132 3.132 0.783 ! 
assign ((resid    15 and name     HB*))   ((resid    16 and name      HN))      4.306 4.306 1.077 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    16 and name      HN))      3.397 3.397 0.849 ! 
assign ((resid    15 and name      HA))   ((resid    17 and name    HG1#))      3.787 3.787 0.947 ! 
assign ((resid    15 and name      HA))   ((resid    17 and name    HG1#))      4.140 4.140 1.035 ! 
assign ((resid    15 and name     HB*))   ((resid    17 and name    HG1#))      2.625 2.625 0.656 ! 
assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.613 4.613 1.153 ! 
assign ((resid    15 and name     HB*))   ((resid    17 and name    HG1#))      2.967 2.967 0.742 ! 
assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.714 4.714 1.179 ! 
assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.379 4.379 1.095 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    26 and name      HA))      3.863 3.863 0.966 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    26 and name      HA))      4.297 4.297 1.074 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    26 and name      HA))      4.482 4.482 1.121 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    26 and name      HB))      4.959 4.959 1.240 ! 
assign ((resid    15 and name     HB*))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.461 4.461 1.115 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HB1))      3.744 3.744 0.936 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.273 4.273 1.068 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.461 4.461 1.115 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name      HA))      4.069 4.069 1.017 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HB1))      2.831 2.831 0.708 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.815 4.815 1.204 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.165 4.165 1.041 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.724 3.724 0.931 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.004 4.004 1.001 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name    HD1#))      2.789 2.789 0.697 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.047 3.047 0.762 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HN))      4.078 4.078 1.020 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HA))      3.101 3.101 0.775 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HA))      3.143 3.143 0.786 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name      HB))      4.562 4.562 1.141 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.287 3.287 0.822 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.408 3.408 0.852 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.612 3.612 0.903 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name      HN))      4.201 4.201 1.050 ! 
assign ((resid    15 and name      HG))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.691 4.691 1.173 ! 
assign ((resid    15 and name      HG) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    30 and name    HG2#))      4.013 4.013 1.003 ! 
assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.033 4.033 1.008 ! 
assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.621 4.621 1.155 ! 
assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.493 4.493 1.123 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.400 3.400 0.850 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.939 2.939 0.735 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.439 3.439 0.860 ! 
assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.541 3.541 0.885 ! 
assign ((resid    16 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      3.351 3.351 0.838 ! 
assign ((resid    16 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      3.462 3.462 0.866 ! 
assign ((resid    16 and name      HA))   ((resid    16 and name      HN))      3.207 0.802 0.802 ! 
assign ((resid    16 and name     HB*) or 
        (resid    16 and name     HB*))   ((resid    16 and name      HN))      2.684 2.684 0.671 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HA))      3.215 3.215 0.804 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HN))      4.043 4.043 1.011 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HN))      4.270 4.270 1.067 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name      HA))      4.047 1.012 1.012 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name      HA))      4.934 1.234 1.234 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name    HG1#))      3.847 3.847 0.962 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name    HG2#))      3.832 3.832 0.958 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name    HG2#))      3.691 3.691 0.923 ! 
assign ((resid    16 and name      HA))   ((resid    17 and name      HN))      2.078 0.519 0.519 ! 
assign ((resid    16 and name     HB*) or 
        (resid    16 and name     HB*))   ((resid    17 and name      HN))      3.845 3.845 0.961 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    17 and name      HN))      4.137 4.137 1.034 ! 
assign ((resid    16 and name      HN))   ((resid    17 and name    HG1#))      4.078 4.078 1.020 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HN))      3.498 3.498 0.875 ! 
assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    30 and name    HD1#))      4.931 4.931 1.233 ! 
assign ((resid    17 and name      HA))   ((resid    17 and name    HG2#))      2.848 2.848 0.712 ! 
assign ((resid    17 and name      HA))   ((resid    17 and name      HN))      3.043 0.761 0.761 ! 
assign ((resid    17 and name    HG1#))   ((resid    17 and name      HA))      2.098 2.098 0.524 ! 
assign ((resid    17 and name    HG1#))   ((resid    17 and name      HN))      3.108 3.108 0.777 ! 
assign ((resid    17 and name    HG2#))   ((resid    17 and name      HA))      3.077 3.077 0.769 ! 
assign ((resid    17 and name    HG2#))   ((resid    17 and name      HN))      2.335 2.335 0.584 ! 
assign ((resid    17 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      4.668 4.668 1.167 ! 
assign ((resid    17 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      4.840 4.840 1.210 ! 
assign ((resid    17 and name      HA))   ((resid    18 and name      HN))      2.219 0.555 0.555 ! 
assign ((resid    17 and name      HB))   ((resid    18 and name      HA))      4.823 1.206 1.206 ! 
assign ((resid    17 and name      HB))   ((resid    18 and name      HN))      2.318 0.580 0.580 ! 
assign ((resid    17 and name    HG1#))   ((resid    18 and name      HN))      3.304 3.304 0.826 ! 
assign ((resid    17 and name    HG2#))   ((resid    18 and name      HA))      3.922 3.922 0.981 ! 
assign ((resid    17 and name    HG2#))   ((resid    18 and name      HA))      4.164 4.164 1.041 ! 
assign ((resid    17 and name    HG2#))   ((resid    18 and name      HN))      3.388 3.388 0.847 ! 
assign ((resid    17 and name    HG2#))   ((resid    19 and name      HA))      4.555 4.555 1.139 ! 
assign ((resid    17 and name    HG2#))   ((resid    19 and name      HA))      4.847 4.847 1.212 ! 
assign ((resid    17 and name      HA))   ((resid    21 and name     HB2))      4.959 1.240 1.240 ! 
assign ((resid    17 and name      HB))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      3.787 3.787 0.947 ! 
assign ((resid    17 and name      HB))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      4.232 4.232 1.058 ! 
assign ((resid    17 and name      HB))   ((resid    21 and name     HB2))      3.400 0.850 0.850 ! 
assign ((resid    17 and name      HB))   ((resid    21 and name     HB2))      3.562 0.890 0.890 ! 
assign ((resid    17 and name    HG1#))   ((resid    21 and name     HB1))      4.672 4.672 1.168 ! 
assign ((resid    17 and name    HG1#))   ((resid    21 and name     HB2))      4.579 4.579 1.145 ! 
assign ((resid    17 and name    HG2#))   ((resid    21 and name     HB2))      4.531 4.531 1.133 ! 
assign ((resid    17 and name    HG2#))   ((resid    21 and name     HB2))      4.853 4.853 1.213 ! 
assign ((resid    17 and name      HA))   ((resid    26 and name    HG2#))      4.423 4.423 1.106 ! 
assign ((resid    17 and name      HA))   ((resid    26 and name    HG2#))      4.283 4.283 1.071 ! 
assign ((resid    17 and name      HB))   ((resid    26 and name    HG2#))      3.439 3.439 0.860 ! 
assign ((resid    17 and name      HB))   ((resid    26 and name    HG2#))      3.717 3.717 0.929 ! 
assign ((resid    17 and name    HG2#))   ((resid    26 and name    HG2#))      3.343 3.343 0.836 ! 
assign ((resid    17 and name    HG2#))   ((resid    26 and name    HG2#))      3.584 3.584 0.896 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.907 4.907 1.227 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.888 4.888 1.222 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.163 4.163 1.041 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.120 3.120 0.780 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.691 3.691 0.923 ! 
assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.109 3.109 0.777 ! 
assign ((resid    17 and name      HB))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.883 4.883 1.221 ! 
assign ((resid    17 and name      HB))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.684 4.684 1.171 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.151 3.151 0.788 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.283 3.283 0.821 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.989 2.989 0.747 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.779 3.779 0.945 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.472 3.472 0.868 ! 
assign ((resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.411 4.411 1.103 ! 
assign ((resid    17 and name      HB) or 
        (resid    30 and name      HB))   ((resid    30 and name      HN))      2.583 2.583 0.646 ! 
assign ((resid    17 and name      HA))   ((resid    56 and name     HD*))      4.122 4.122 1.030 ! 
assign ((resid    17 and name      HA))   ((resid    56 and name     HD*))      3.653 3.653 0.913 ! 
assign ((resid    17 and name      HB))   ((resid    56 and name     HD*))      2.532 2.532 0.633 ! 
assign ((resid    17 and name      HB))   ((resid    56 and name     HD*))      2.617 2.617 0.654 ! 
assign ((resid    17 and name      HB))   ((resid    56 and name      HG))      4.339 1.085 1.085 ! 
assign ((resid    17 and name    HG1#))   ((resid    56 and name      HG))      4.319 4.319 1.080 ! 
assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      2.191 2.191 0.548 ! 
assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      2.210 2.210 0.552 ! 
assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      3.624 3.624 0.906 ! 
assign ((resid    17 and name    HG2#))   ((resid    56 and name      HG))      3.809 3.809 0.952 ! 
assign ((resid    17 and name    HG2#))   ((resid    63 and name      HA))      4.973 4.973 1.243 ! 
assign ((resid    17 and name      HB) or 
        (resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HN))      3.450 3.450 0.863 ! 
assign ((resid    18 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      3.335 3.335 0.834 ! 
assign ((resid    18 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      3.491 3.491 0.873 ! 
assign ((resid    18 and name      HA))   ((resid    18 and name      HN))      3.157 0.789 0.789 ! 
assign ((resid    18 and name     HB1))   ((resid    18 and name      HN))      3.662 0.915 0.915 ! 
assign ((resid    18 and name     HB2))   ((resid    18 and name      HN))      2.909 0.727 0.727 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HA))      3.131 3.131 0.783 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HN))      4.217 4.217 1.054 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name      HA))      4.806 1.202 1.202 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HB2))      4.870 1.218 1.218 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.404 2.404 0.601 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.022 2.022 0.505 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.246 2.246 0.561 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.048 2.048 0.512 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.985 3.985 0.996 ! 
assign ((resid    18 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      4.236 4.236 1.059 ! 
assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.969 2.969 0.742 ! 
assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.458 3.458 0.865 ! 
assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.726 2.726 0.681 ! 
assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.052 3.052 0.763 ! 
assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.343 3.343 0.836 ! 
assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.127 4.127 1.032 ! 
assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.320 3.320 0.830 ! 
assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.832 3.832 0.958 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.712 4.712 1.178 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.285 4.285 1.071 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.674 4.674 1.169 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.664 4.664 1.166 ! 
assign ((resid    18 and name      HA))   ((resid    20 and name      HN))      4.145 1.036 1.036 ! 
assign ((resid    18 and name     HB1))   ((resid    20 and name      HN))      2.967 0.742 0.742 ! 
assign ((resid    18 and name     HB2))   ((resid    20 and name      HN))      3.284 0.821 0.821 ! 
assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    20 and name      HN))      4.448 4.448 1.112 ! 
assign ((resid    18 and name     HB1))   ((resid    21 and name      HN))      4.114 1.028 1.028 ! 
assign ((resid    18 and name     HB2))   ((resid    21 and name      HN))      3.426 0.857 0.857 ! 
assign ((resid    18 and name      HN))   ((resid    21 and name     HB2))      3.666 0.916 0.916 ! 
assign ((resid    18 and name      HN))   ((resid    56 and name     HD*))      4.217 4.217 1.054 ! 
assign ((resid    19 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.339 4.339 1.085 ! 
assign ((resid    19 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.004 4.004 1.001 ! 
assign ((resid    19 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.305 3.305 0.826 ! 
assign ((resid    19 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.320 3.320 0.830 ! 
assign ((resid    19 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.666 3.666 0.916 ! 
assign ((resid    19 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.259 3.259 0.815 ! 
assign ((resid    19 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.505 3.505 0.876 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name      HA))      4.176 4.176 1.044 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name      HA))      3.744 3.744 0.936 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB1))      3.879 3.879 0.970 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB2))      3.294 3.294 0.824 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB2))      3.510 3.510 0.877 ! 
assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    19 and name      HA))      3.567 3.567 0.892 ! 
assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    19 and name      HA))      3.025 3.025 0.756 ! 
assign ((resid    19 and name      HA))   ((resid    20 and name      HN))      3.718 0.929 0.929 ! 
assign ((resid    19 and name     HB2))   ((resid    20 and name      HN))      3.314 0.829 0.829 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    20 and name      HN))      3.209 3.209 0.802 ! 
assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    20 and name      HN))      4.137 4.137 1.034 ! 
assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    20 and name      HN))      3.769 3.769 0.942 ! 
assign ((resid    19 and name      HA))   ((resid    21 and name      HN))      3.971 0.993 0.993 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name      HA))      4.119 1.030 1.030 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HB1))      3.035 0.759 0.759 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HB1))      3.184 0.796 0.796 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HB2))      2.442 0.611 0.611 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HB2))      2.645 0.661 0.661 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HD*))      3.294 3.294 0.824 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name     HD*))      3.166 3.166 0.791 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name      HG))      4.448 1.112 1.112 ! 
assign ((resid    19 and name      HA))   ((resid    56 and name      HG))      4.503 1.126 1.126 ! 
assign ((resid    19 and name     HB1))   ((resid    56 and name     HB2))      4.586 1.147 1.147 ! 
assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      3.985 3.985 0.996 ! 
assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      4.668 4.668 1.167 ! 
assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      4.732 4.732 1.183 ! 
assign ((resid    19 and name      HA))   ((resid    57 and name      HN))      3.485 0.871 0.871 ! 
assign ((resid    19 and name     HB1))   ((resid    57 and name      HA))      4.133 1.033 1.033 ! 
assign ((resid    19 and name     HB1))   ((resid    57 and name      HA))      4.110 1.028 1.028 ! 
assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      2.841 2.841 0.710 ! 
assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      3.379 3.379 0.845 ! 
assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      3.305 3.305 0.826 ! 
assign ((resid    19 and name     HB2))   ((resid    57 and name      HA))      4.967 1.242 1.242 ! 
assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.190 3.190 0.797 ! 
assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.730 3.730 0.932 ! 
assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.832 3.832 0.958 ! 
assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    57 and name     HB*))      4.338 4.338 1.085 ! 
assign ((resid    19 and name      HA))   ((resid    61 and name      HB))      4.820 1.205 1.205 ! 
assign ((resid    20 and name      HA))   ((resid    20 and name      HN))      2.942 0.736 0.736 ! 
assign ((resid    20 and name     HB1))   ((resid    20 and name      HN))      2.762 0.691 0.691 ! 
assign ((resid    20 and name     HB2))   ((resid    20 and name      HN))      3.246 0.811 0.811 ! 
assign ((resid    20 and name      HA))   ((resid    21 and name      HN))      3.441 0.860 0.860 ! 
assign ((resid    20 and name     HB1))   ((resid    21 and name      HN))      4.395 1.099 1.099 ! 
assign ((resid    20 and name      HA))   ((resid    55 and name      HA))      4.361 1.090 1.090 ! 
assign ((resid    20 and name      HA))   ((resid    55 and name      HB))      2.465 0.616 0.616 ! 
assign ((resid    20 and name      HA))   ((resid    55 and name      HB))      2.499 0.625 0.625 ! 
assign ((resid    20 and name      HA))   ((resid    55 and name    HG2#))      2.547 2.547 0.637 ! 
assign ((resid    20 and name      HA))   ((resid    55 and name    HG2#))      2.531 2.531 0.633 ! 
assign ((resid    20 and name     HB1))   ((resid    55 and name      HB))      4.526 1.131 1.131 ! 
assign ((resid    20 and name     HB1))   ((resid    55 and name    HG2#))      3.957 3.957 0.989 ! 
assign ((resid    20 and name     HB1))   ((resid    55 and name    HG2#))      3.737 3.737 0.934 ! 
assign ((resid    20 and name     HB2))   ((resid    55 and name      HB))      4.540 1.135 1.135 ! 
assign ((resid    20 and name     HB2))   ((resid    55 and name      HB))      4.865 1.216 1.216 ! 
assign ((resid    20 and name     HB2))   ((resid    55 and name    HG2#))      3.871 3.871 0.968 ! 
assign ((resid    20 and name      HA))   ((resid    57 and name      HN))      4.114 1.028 1.028 ! 
assign ((resid    21 and name      HA))   ((resid    21 and name      HN))      2.762 0.691 0.691 ! 
assign ((resid    21 and name     HB1))   ((resid    21 and name      HN))      3.086 0.771 0.771 ! 
assign ((resid    21 and name     HB2))   ((resid    21 and name      HN))      2.449 0.612 0.612 ! 
assign ((resid    21 and name      HA))   ((resid    22 and name    HG2#))      3.948 3.948 0.987 ! 
assign ((resid    21 and name      HA))   ((resid    22 and name      HN))      1.947 0.487 0.487 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    22 and name      HN))      3.251 3.251 0.813 ! 
assign ((resid    21 and name     HB2))   ((resid    22 and name      HN))      4.234 1.058 1.058 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.028 3.028 0.757 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      4.794 4.794 1.198 ! 
assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.127 4.127 1.032 ! 
assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.147 4.147 1.037 ! 
assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.070 4.070 1.018 ! 
assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      3.913 3.913 0.978 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.589 3.589 0.897 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.430 3.430 0.858 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.219 3.219 0.805 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.181 3.181 0.795 ! 
assign ((resid    21 and name     HB2))   ((resid    25 and name     HB*))      3.758 3.758 0.940 ! 
assign ((resid    21 and name     HB2))   ((resid    25 and name     HB*))      4.094 4.094 1.024 ! 
assign ((resid    21 and name      HA))   ((resid    26 and name    HG2#))      4.513 4.513 1.128 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    26 and name    HG2#))      3.021 3.021 0.755 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    26 and name    HG2#))      3.172 3.172 0.793 ! 
assign ((resid    21 and name     HB2))   ((resid    26 and name    HG2#))      3.215 3.215 0.804 ! 
assign ((resid    21 and name     HB2))   ((resid    26 and name    HG2#))      3.320 3.320 0.830 ! 
assign ((resid    21 and name      HA))   ((resid    55 and name    HG2#))      4.566 4.566 1.141 ! 
assign ((resid    21 and name      HN))   ((resid    55 and name      HB))      4.437 1.109 1.109 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name     HD*))      3.520 3.520 0.880 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name     HD*))      3.541 3.541 0.885 ! 
assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name      HG))      4.695 4.695 1.174 ! 
assign ((resid    21 and name     HB2))   ((resid    56 and name     HD*))      3.000 3.000 0.750 ! 
assign ((resid    21 and name     HB2))   ((resid    56 and name     HD*))      3.166 3.166 0.791 ! 
assign ((resid    21 and name     HB2))   ((resid    56 and name      HG))      4.107 1.027 1.027 ! 
assign ((resid    21 and name     HB2))   ((resid    56 and name      HG))      4.237 1.059 1.059 ! 
assign ((resid    21 and name      HN))   ((resid    56 and name     HD*))      3.741 3.741 0.935 ! 
assign ((resid    22 and name      HA))   ((resid    22 and name    HG2#))      2.105 2.105 0.526 ! 
assign ((resid    22 and name      HA))   ((resid    22 and name      HN))      3.108 0.777 0.777 ! 
assign ((resid    22 and name      HB))   ((resid    22 and name      HN))      4.029 1.007 1.007 ! 
assign ((resid    22 and name    HG2#))   ((resid    22 and name      HA))      2.155 2.155 0.539 ! 
assign ((resid    22 and name    HG2#))   ((resid    22 and name      HN))      2.335 2.335 0.584 ! 
assign ((resid    22 and name      HA))   ((resid    23 and name      HA))      4.833 1.208 1.208 ! 
assign ((resid    22 and name      HA))   ((resid    23 and name    HD1#))      4.045 4.045 1.011 ! 
assign ((resid    22 and name      HA))   ((resid    23 and name    HD1#))      4.285 4.285 1.071 ! 
assign ((resid    22 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      4.637 4.637 1.159 ! 
assign ((resid    22 and name      HA))   ((resid    23 and name      HN))      2.331 0.583 0.583 ! 
assign ((resid    22 and name      HB))   ((resid    23 and name      HA))      4.987 1.247 1.247 ! 
assign ((resid    22 and name      HB))   ((resid    23 and name      HN))      2.723 0.681 0.681 ! 
assign ((resid    22 and name    HG2#))   ((resid    23 and name      HN))      3.674 3.674 0.918 ! 
assign ((resid    22 and name      HB))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.541 3.541 0.885 ! 
assign ((resid    22 and name      HB))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.913 3.913 0.978 ! 
assign ((resid    22 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      4.596 4.596 1.149 ! 
assign ((resid    22 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.957 3.957 0.989 ! 
assign ((resid    22 and name      HB))   ((resid    25 and name      HN))      4.036 1.009 1.009 ! 
assign ((resid    22 and name    HG2#))   ((resid    25 and name     HB*))      4.670 4.670 1.167 ! 
assign ((resid    22 and name    HG2#))   ((resid    25 and name      HN))      4.437 4.437 1.109 ! 
assign ((resid    22 and name      HN))   ((resid    25 and name     HB*))      3.423 3.423 0.856 ! 
assign ((resid    22 and name      HN))   ((resid    25 and name     HB*))      3.019 3.019 0.755 ! 
assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      3.966 3.966 0.992 ! 
assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      4.089 4.089 1.022 ! 
assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      4.693 4.693 1.173 ! 
assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      3.855 3.855 0.964 ! 
assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      3.939 3.939 0.985 ! 
assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      4.023 4.023 1.006 ! 
assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      4.609 4.609 1.152 ! 
assign ((resid    22 and name    HG2#))   ((resid    54 and name      HA))      4.498 4.498 1.125 ! 
assign ((resid    22 and name    HG2#))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.945 4.945 1.236 ! 
assign ((resid    22 and name      HA))   ((resid    55 and name      HA))      1.753 0.438 0.438 ! 
assign ((resid    22 and name      HA))   ((resid    55 and name      HA))      1.859 0.465 0.465 ! 
assign ((resid    22 and name      HA))   ((resid    55 and name      HB))      2.956 0.739 0.739 ! 
assign ((resid    22 and name      HA))   ((resid    55 and name      HB))      3.128 0.782 0.782 ! 
assign ((resid    22 and name      HA))   ((resid    55 and name    HG2#))      2.443 2.443 0.611 ! 
assign ((resid    22 and name      HB))   ((resid    55 and name      HA))      3.312 0.828 0.828 ! 
assign ((resid    22 and name      HB))   ((resid    55 and name      HA))      3.320 0.830 0.830 ! 
assign ((resid    22 and name      HB))   ((resid    55 and name    HG2#))      4.088 4.088 1.022 ! 
assign ((resid    22 and name    HG2#))   ((resid    55 and name      HA))      3.021 3.021 0.755 ! 
assign ((resid    22 and name    HG2#))   ((resid    55 and name      HA))      3.025 3.025 0.756 ! 
assign ((resid    22 and name    HG2#))   ((resid    55 and name      HB))      4.414 4.414 1.103 ! 
assign ((resid    22 and name      HN))   ((resid    55 and name    HG2#))      4.374 4.374 1.093 ! 
assign ((resid    22 and name      HA))   ((resid    56 and name      HN))      3.447 0.862 0.862 ! 
assign ((resid    23 and name      HA))   ((resid    23 and name    HD1#))      2.083 2.083 0.521 ! 
assign ((resid    23 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      3.520 3.520 0.880 ! 
assign ((resid    23 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      3.765 3.765 0.941 ! 
assign ((resid    23 and name      HA))   ((resid    23 and name    HG2#))      2.400 2.400 0.600 ! 
assign ((resid    23 and name      HA))   ((resid    23 and name      HN))      3.149 0.787 0.787 ! 
assign ((resid    23 and name      HB))   ((resid    23 and name    HD1#))      3.276 3.276 0.819 ! 
assign ((resid    23 and name      HB))   ((resid    23 and name      HN))      2.687 0.672 0.672 ! 
assign ((resid    23 and name    HD1#))   ((resid    23 and name      HA))      2.109 2.109 0.527 ! 
assign ((resid    23 and name    HD1#))   ((resid    23 and name      HB))      3.324 3.324 0.831 ! 
assign ((resid    23 and name    HD1#))   ((resid    23 and name      HN))      3.363 3.363 0.841 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HA))      3.462 3.462 0.866 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HA))      3.744 3.744 0.936 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HN))      2.621 2.621 0.655 ! 
assign ((resid    23 and name    HG2#))   ((resid    23 and name      HA))      2.467 2.467 0.617 ! 
assign ((resid    23 and name    HG2#))   ((resid    23 and name      HN))      3.917 3.917 0.979 ! 
assign ((resid    23 and name    HG2#))   ((resid    24 and name      HA))      3.801 3.801 0.950 ! 
assign ((resid    23 and name    HG2#))   ((resid    24 and name      HA))      3.809 3.809 0.952 ! 
assign ((resid    23 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      4.973 4.973 1.243 ! 
assign ((resid    23 and name    HG2#))   ((resid    25 and name      HA) or 
                                           (resid    51 and name      HA))      3.975 3.975 0.994 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name      HB))      2.515 0.629 0.629 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name      HB))      2.519 0.630 0.630 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name    HG1#))      3.567 3.567 0.892 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name    HG1#))      3.601 3.601 0.900 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name    HG2#))      2.612 2.612 0.653 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name    HG2#))      2.681 2.681 0.670 ! 
assign ((resid    23 and name      HA))   ((resid    26 and name      HN))      3.115 0.779 0.779 ! 
assign ((resid    23 and name    HD1#))   ((resid    26 and name      HB))      3.724 3.724 0.931 ! 
assign ((resid    23 and name    HD1#))   ((resid    26 and name      HB))      3.832 3.832 0.958 ! 
assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG1#))      3.744 3.744 0.936 ! 
assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG2#))      2.937 2.937 0.734 ! 
assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG2#))      2.971 2.971 0.743 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    26 and name    HG2#))      4.801 4.801 1.200 ! 
assign ((resid    23 and name    HG2#))   ((resid    26 and name      HB))      3.737 3.737 0.934 ! 
assign ((resid    23 and name    HG2#))   ((resid    26 and name      HB))      3.847 3.847 0.962 ! 
assign ((resid    23 and name    HG2#))   ((resid    26 and name    HG1#))      4.245 4.245 1.061 ! 
assign ((resid    23 and name    HG2#))   ((resid    26 and name    HG2#))      4.056 4.056 1.014 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name      HA))      4.835 4.835 1.209 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB1))      4.928 4.928 1.232 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB1))      4.734 4.734 1.183 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB2))      4.647 4.647 1.162 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      4.043 4.043 1.011 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.491 3.491 0.873 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      2.537 2.537 0.634 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      2.393 2.393 0.598 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.794 3.794 0.949 ! 
assign ((resid    23 and name    HG2#))   ((resid    27 and name      HN))      4.234 4.234 1.058 ! 
assign ((resid    23 and name    HD1#))   ((resid    38 and name     HB1) or 
                                           (resid    54 and name     HB2))      4.459 4.459 1.115 ! 
assign ((resid    23 and name      HA))   ((resid    43 and name     HD*))      4.043 4.043 1.011 ! 
assign ((resid    23 and name      HA))   ((resid    43 and name     HD*))      3.913 3.913 0.978 ! 
assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB1))      4.910 4.910 1.228 ! 
assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB2))      4.645 4.645 1.161 ! 
assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB2))      4.896 4.896 1.224 ! 
assign ((resid    23 and name    HD1#))   ((resid    43 and name     HD*))      3.115 3.115 0.779 ! 
assign ((resid    23 and name    HD1#))   ((resid    43 and name     HD*))      4.808 4.808 1.202 ! 
assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB1))      3.904 3.904 0.976 ! 
assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB2))      3.839 3.839 0.960 ! 
assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB2))      3.458 3.458 0.865 ! 
assign ((resid    23 and name    HG2#))   ((resid    43 and name     HD*))      2.796 2.796 0.699 ! 
assign ((resid    23 and name    HG2#))   ((resid    43 and name     HD*))      2.450 2.450 0.613 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name      HA))      4.461 4.461 1.115 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name      HA))      4.417 4.417 1.104 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB1))      2.923 2.923 0.731 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB1))      3.042 3.042 0.760 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB2))      3.367 3.367 0.842 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB2))      3.396 3.396 0.849 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      2.510 2.510 0.627 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      2.376 2.376 0.594 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      3.085 3.085 0.771 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      3.298 3.298 0.825 ! 
assign ((resid    23 and name    HD1#))   ((resid    50 and name      HG))      4.203 4.203 1.051 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HA))      4.676 4.676 1.169 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HA))      4.773 4.773 1.193 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.787 3.787 0.947 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.120 3.120 0.780 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.957 3.957 0.989 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.163 3.163 0.791 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      4.625 4.625 1.156 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      3.710 3.710 0.927 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      4.326 4.326 1.081 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      3.496 3.496 0.874 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.071 4.071 1.018 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.682 4.682 1.171 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      3.758 3.758 0.940 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.811 4.811 1.203 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.316 4.316 1.079 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.531 4.531 1.133 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HG))      4.840 4.840 1.210 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name      HA))      4.512 4.512 1.128 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB1))      3.363 3.363 0.841 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB1))      3.037 3.037 0.759 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB2))      3.181 3.181 0.795 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB2))      2.995 2.995 0.749 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      3.335 3.335 0.834 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      3.312 3.312 0.828 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      4.506 4.506 1.127 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      4.444 4.444 1.111 ! 
assign ((resid    23 and name    HG2#))   ((resid    50 and name      HG))      4.645 4.645 1.161 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    51 and name      HN))      4.437 4.437 1.109 ! 
assign ((resid    23 and name      HA))   ((resid    52 and name      HA))      4.999 1.250 1.250 ! 
assign ((resid    23 and name      HB))   ((resid    52 and name      HA))      2.210 0.552 0.552 ! 
assign ((resid    23 and name      HB))   ((resid    52 and name      HA))      2.215 0.554 0.554 ! 
assign ((resid    23 and name      HB))   ((resid    52 and name     HB1))      4.739 1.185 1.185 ! 
assign ((resid    23 and name      HB))   ((resid    52 and name     HB1))      4.542 1.135 1.135 ! 
assign ((resid    23 and name    HD1#))   ((resid    52 and name      HA))      4.858 4.858 1.214 ! 
assign ((resid    23 and name    HD1#))   ((resid    52 and name      HA))      4.414 4.414 1.103 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.093 4.093 1.023 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.043 4.043 1.011 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.086 4.086 1.022 ! 
assign ((resid    23 and name    HG2#))   ((resid    52 and name      HA))      2.468 2.468 0.617 ! 
assign ((resid    23 and name    HG2#))   ((resid    52 and name      HA))      2.511 2.511 0.628 ! 
assign ((resid    23 and name    HG2#))   ((resid    52 and name     HB1))      4.588 4.588 1.147 ! 
assign ((resid    23 and name    HG2#))   ((resid    52 and name      HN))      4.071 4.071 1.018 ! 
assign ((resid    23 and name      HN))   ((resid    52 and name      HA))      4.217 1.054 1.054 ! 
assign ((resid    23 and name      HB))   ((resid    54 and name      HN))      4.137 1.034 1.034 ! 
assign ((resid    23 and name    HD1#))   ((resid    54 and name     HB2))      4.976 4.976 1.244 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HN))      3.561 3.561 0.890 ! 
assign ((resid    23 and name    HD1#))   ((resid    55 and name      HA))      3.896 3.896 0.974 ! 
assign ((resid    23 and name    HD1#))   ((resid    55 and name      HA))      3.839 3.839 0.960 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    55 and name      HA))      4.581 4.581 1.145 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    55 and name      HN))      4.261 4.261 1.065 ! 
assign ((resid    23 and name      HN))   ((resid    55 and name      HA))      3.299 0.825 0.825 ! 
assign ((resid    23 and name      HA))   ((resid    56 and name     HD*))      3.913 3.913 0.978 ! 
assign ((resid    23 and name      HA))   ((resid    56 and name     HD*))      3.904 3.904 0.976 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name      HA))      3.007 3.007 0.752 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name      HA))      2.978 2.978 0.745 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      3.115 3.115 0.779 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      2.277 2.277 0.569 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      2.302 2.302 0.576 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name      HG))      3.724 3.724 0.931 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name      HG))      3.724 3.724 0.931 ! 
assign ((resid    23 and name    HD1#))   ((resid    56 and name      HN))      4.064 4.064 1.016 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.379 4.379 1.095 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.723 4.723 1.181 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.967 4.967 1.242 ! 
assign ((resid    23 and name      HB))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.912 4.912 1.228 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HB2))      4.907 4.907 1.227 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HB2))      4.775 4.775 1.194 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.035 3.035 0.759 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.163 3.163 0.791 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.950 2.950 0.738 ! 
assign ((resid    23 and name    HD1#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.991 2.991 0.748 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.484 4.484 1.121 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.575 4.575 1.144 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.309 3.309 0.827 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.151 3.151 0.788 ! 
assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.065 3.065 0.766 ! 
assign ((resid    23 and name    HG2#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.367 4.367 1.092 ! 
assign ((resid    23 and name    HG2#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.294 4.294 1.073 ! 
assign ((resid    23 and name    HD1#))   ((resid    61 and name    HD1#))      2.909 2.909 0.727 ! 
assign ((resid    23 and name    HD1#))   ((resid    61 and name    HD1#))      3.123 3.123 0.781 ! 
assign ((resid    23 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.339 3.339 0.835 ! 
assign ((resid    23 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.127 4.127 1.032 ! 
assign ((resid    24 and name      HA))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      3.169 3.169 0.792 ! 
assign ((resid    24 and name      HA))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      3.339 3.339 0.835 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    24 and name      HN))      3.798 3.798 0.950 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    24 and name      HA))      2.868 2.868 0.717 ! 
assign ((resid    24 and name      HA))   ((resid    25 and name      HN))      3.845 0.961 0.961 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    25 and name      HN))      2.814 2.814 0.704 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    25 and name      HN))      3.813 3.813 0.953 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HB1))      3.809 0.952 0.952 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HB1))      3.678 0.919 0.919 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HB2))      2.952 0.738 0.738 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HB2))      2.991 0.748 0.748 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.525 3.525 0.881 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.070 3.070 0.767 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.461 4.461 1.115 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.328 4.328 1.082 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.994 3.994 0.999 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.313 4.313 1.078 ! 
assign ((resid    24 and name      HA))   ((resid    27 and name      HN))      3.441 0.860 0.860 ! 
assign ((resid    24 and name      HA))   ((resid    28 and name     HB#))      4.412 4.412 1.103 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    28 and name     HB#))      4.970 4.970 1.242 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    28 and name     HB#))      4.934 4.934 1.234 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2) or 
        (resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    37 and name      HA))      3.458 3.458 0.865 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2) or 
        (resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    37 and name      HA))      2.909 2.909 0.727 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.666 4.666 1.167 ! 
assign ((resid    24 and name      HA))   ((resid    38 and name     HB1))      4.708 1.177 1.177 ! 
assign ((resid    24 and name      HA))   ((resid    38 and name     HB1))      4.934 1.234 1.234 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    39 and name      HN))      4.385 4.385 1.096 ! 
assign ((resid    24 and name      HA))   ((resid    52 and name      HA))      4.448 1.112 1.112 ! 
assign ((resid    24 and name      HA))   ((resid    52 and name      HA))      4.244 1.061 1.061 ! 
assign ((resid    24 and name      HA))   ((resid    52 and name     HB1))      4.973 1.243 1.243 ! 
assign ((resid    24 and name      HA))   ((resid    52 and name     HB1))      4.873 1.218 1.218 ! 
assign ((resid    24 and name      HA))   ((resid    52 and name     HB2))      4.741 1.185 1.185 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name      HA))      3.653 3.653 0.913 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name     HB1))      2.971 2.971 0.743 ! 
assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name     HB1))      3.169 3.169 0.792 ! 
assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    52 and name      HA))      4.420 4.420 1.105 ! 
assign ((resid    25 and name      HA))   ((resid    25 and name    HD21))      3.269 0.817 0.817 ! 
assign ((resid    25 and name      HA))   ((resid    25 and name    HD22))      3.957 0.989 0.989 ! 
assign ((resid    25 and name      HA) or 
        (resid    51 and name      HA))   ((resid    25 and name      HN))      2.841 2.841 0.710 ! 
assign ((resid    25 and name     HB*))   ((resid    25 and name      HN))      2.982 2.982 0.746 ! 
assign ((resid    25 and name     HB*))   ((resid    25 and name      HN))      2.609 2.609 0.652 ! 
assign ((resid    25 and name      HA) or 
        (resid    51 and name      HA))   ((resid    26 and name    HG2#))      4.865 4.865 1.216 ! 
assign ((resid    25 and name      HA))   ((resid    26 and name      HN))      3.750 0.938 0.938 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.033 4.033 1.008 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.215 4.215 1.054 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name      HN))      3.441 3.441 0.860 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.013 4.013 1.003 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.301 4.301 1.075 ! 
assign ((resid    25 and name     HB*))   ((resid    26 and name      HN))      3.299 3.299 0.825 ! 
assign ((resid    25 and name      HN))   ((resid    26 and name    HG2#))      4.201 4.201 1.050 ! 
assign ((resid    25 and name      HA))   ((resid    28 and name     HB#))      2.177 2.177 0.544 ! 
assign ((resid    25 and name      HA))   ((resid    28 and name      HN))      3.042 0.760 0.760 ! 
assign ((resid    25 and name     HB*))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.750 4.750 1.188 ! 
assign ((resid    26 and name      HA))   ((resid    26 and name    HG1#))      2.275 2.275 0.569 ! 
assign ((resid    26 and name      HA))   ((resid    26 and name    HG2#))      2.182 2.182 0.545 ! 
assign ((resid    26 and name      HA))   ((resid    26 and name      HN))      2.919 0.730 0.730 ! 
assign ((resid    26 and name      HB))   ((resid    26 and name      HN))      2.471 0.618 0.618 ! 
assign ((resid    26 and name    HG1#))   ((resid    26 and name      HA))      2.297 2.297 0.574 ! 
assign ((resid    26 and name    HG1#))   ((resid    26 and name      HN))      3.529 3.529 0.882 ! 
assign ((resid    26 and name    HG2#))   ((resid    26 and name      HA))      2.257 2.257 0.564 ! 
assign ((resid    26 and name    HG2#))   ((resid    26 and name      HN))      2.262 2.262 0.566 ! 
assign ((resid    26 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.283 4.283 1.071 ! 
assign ((resid    26 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.208 4.208 1.052 ! 
assign ((resid    26 and name      HA))   ((resid    27 and name      HN))      3.866 0.967 0.967 ! 
assign ((resid    26 and name      HB))   ((resid    27 and name      HA))      4.803 1.201 1.201 ! 
assign ((resid    26 and name      HB))   ((resid    27 and name      HA))      4.999 1.250 1.250 ! 
assign ((resid    26 and name      HB))   ((resid    27 and name      HN))      2.856 0.714 0.714 ! 
assign ((resid    26 and name    HG1#))   ((resid    27 and name      HA))      3.606 3.606 0.901 ! 
assign ((resid    26 and name    HG1#))   ((resid    27 and name      HA))      3.744 3.744 0.936 ! 
assign ((resid    26 and name    HG1#))   ((resid    27 and name     HB2))      4.833 4.833 1.208 ! 
assign ((resid    26 and name    HG1#))   ((resid    27 and name      HN))      3.423 3.423 0.856 ! 
assign ((resid    26 and name    HG2#))   ((resid    27 and name      HN))      3.923 3.923 0.981 ! 
assign ((resid    26 and name    HG2#))   ((resid    28 and name     HB#))      4.835 4.835 1.209 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HB1))      3.957 0.989 0.989 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HB1))      3.730 0.932 0.932 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.855 3.855 0.964 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.131 3.131 0.783 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.871 3.871 0.968 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.998 2.998 0.750 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.704 4.704 1.176 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.481 4.481 1.120 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.670 4.670 1.167 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.835 4.835 1.209 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.871 3.871 0.968 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.809 3.809 0.952 ! 
assign ((resid    26 and name      HA))   ((resid    29 and name      HN))      3.337 0.834 0.834 ! 
assign ((resid    26 and name    HG2#))   ((resid    29 and name     HB2))      4.771 4.771 1.193 ! 
assign ((resid    26 and name    HG2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.300 4.300 1.075 ! 
assign ((resid    26 and name    HG2#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.540 4.540 1.135 ! 
assign ((resid    26 and name      HA))   ((resid    30 and name    HD1#))      4.873 4.873 1.218 ! 
assign ((resid    26 and name      HA))   ((resid    30 and name    HD1#))      4.682 4.682 1.171 ! 
assign ((resid    26 and name      HB))   ((resid    30 and name    HD1#))      3.847 3.847 0.962 ! 
assign ((resid    26 and name    HG1#))   ((resid    30 and name    HD1#))      2.280 2.280 0.570 ! 
assign ((resid    26 and name    HG1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.327 3.327 0.832 ! 
assign ((resid    26 and name    HG1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.383 3.383 0.846 ! 
assign ((resid    26 and name    HG1#))   ((resid    30 and name      HN))      4.448 4.448 1.112 ! 
assign ((resid    26 and name      HB))   ((resid    43 and name     HD*))      3.363 3.363 0.841 ! 
assign ((resid    26 and name      HB))   ((resid    43 and name     HD*))      3.573 3.573 0.893 ! 
assign ((resid    26 and name      HB))   ((resid    56 and name     HD*))      4.300 4.300 1.075 ! 
assign ((resid    26 and name      HB))   ((resid    56 and name     HD*))      4.515 4.515 1.129 ! 
assign ((resid    26 and name    HG2#))   ((resid    56 and name     HD*))      2.317 2.317 0.579 ! 
assign ((resid    26 and name    HG2#))   ((resid    56 and name     HD*))      2.369 2.369 0.592 ! 
assign ((resid    26 and name    HG2#))   ((resid    56 and name      HG))      3.283 3.283 0.821 ! 
assign ((resid    26 and name    HG2#))   ((resid    56 and name      HG))      3.242 3.242 0.810 ! 
assign ((resid    26 and name    HG1#))   ((resid    61 and name    HD1#))      4.948 4.948 1.237 ! 
assign ((resid    26 and name    HG2#))   ((resid    61 and name    HD1#))      4.653 4.653 1.163 ! 
assign ((resid    26 and name    HG2#))   ((resid    61 and name    HG2#))      4.873 4.873 1.218 ! 
assign ((resid    27 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.649 4.649 1.162 ! 
assign ((resid    27 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.052 3.052 0.763 ! 
assign ((resid    27 and name      HA))   ((resid    27 and name      HN))      3.088 0.772 0.772 ! 
assign ((resid    27 and name     HB1))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.283 3.283 0.821 ! 
assign ((resid    27 and name     HB1))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.975 3.975 0.994 ! 
assign ((resid    27 and name     HB1))   ((resid    27 and name      HN))      3.536 0.884 0.884 ! 
assign ((resid    27 and name     HB2))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.347 3.347 0.837 ! 
assign ((resid    27 and name     HB2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.386 4.386 1.097 ! 
assign ((resid    27 and name     HB2))   ((resid    27 and name      HN))      2.972 0.743 0.743 ! 
assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name      HA))      3.751 3.751 0.938 ! 
assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name     HB1))      3.151 3.151 0.788 ! 
assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name      HN))      3.834 3.834 0.959 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name      HA))      4.144 4.144 1.036 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HB1))      4.087 4.087 1.022 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HB2))      4.409 4.409 1.102 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.266 3.266 0.817 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.115 3.115 0.779 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name      HA))      3.280 3.280 0.820 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name      HA))      2.894 2.894 0.724 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.143 3.143 0.786 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.134 3.134 0.783 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    27 and name      HN))      2.934 2.934 0.734 ! 
assign ((resid    27 and name      HA))   ((resid    28 and name      HN))      3.953 0.988 0.988 ! 
assign ((resid    27 and name     HB1))   ((resid    28 and name      HN))      4.029 1.007 1.007 ! 
assign ((resid    27 and name     HB2) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    28 and name      HN))      3.339 3.339 0.835 ! 
assign ((resid    27 and name      HN))   ((resid    28 and name     HB#))      4.325 4.325 1.081 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.238 3.238 0.809 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HN))      3.579 3.579 0.895 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name      HB))      2.557 0.639 0.639 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name      HB))      2.534 0.633 0.633 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HD1#))      2.515 2.515 0.629 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HD1#))      2.480 2.480 0.620 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.966 3.966 0.992 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.970 4.970 1.242 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.801 3.801 0.950 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.635 4.635 1.159 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG2#))      3.697 3.697 0.924 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name    HG2#))      3.439 3.439 0.860 ! 
assign ((resid    27 and name      HA))   ((resid    30 and name      HN))      3.645 0.911 0.911 ! 
assign ((resid    27 and name     HB2))   ((resid    30 and name    HD1#))      4.608 4.608 1.152 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    30 and name    HD1#))      4.918 4.918 1.230 ! 
assign ((resid    27 and name     HB2) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2) or 
        (resid    33 and name     HB1))   ((resid    33 and name      HN))      2.909 2.909 0.727 ! 
assign ((resid    27 and name      HA))   ((resid    38 and name      HA))      4.166 1.042 1.042 ! 
assign ((resid    27 and name      HA))   ((resid    38 and name      HA))      4.431 1.108 1.108 ! 
assign ((resid    27 and name      HA))   ((resid    38 and name     HB1))      4.926 1.232 1.232 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name      HA))      2.861 0.715 0.715 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name      HA))      3.090 0.772 0.772 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HB1))      3.379 0.845 0.845 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HB1))      3.280 0.820 0.820 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.409 4.409 1.102 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.855 4.855 1.214 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2) or 
                                           (resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.824 3.824 0.956 ! 
assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2) or 
                                           (resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.101 4.101 1.025 ! 
assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    38 and name      HA))      3.717 3.717 0.929 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    38 and name      HA))      4.918 4.918 1.230 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    38 and name      HA))      4.641 4.641 1.160 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    38 and name      HA))      4.167 4.167 1.042 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    38 and name      HA))      4.537 4.537 1.134 ! 
assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.926 4.926 1.232 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.546 3.546 0.886 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.232 3.232 0.808 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      4.149 4.149 1.037 ! 
assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.785 4.785 1.196 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    42 and name      HA))      3.779 3.779 0.945 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    42 and name      HA))      3.751 3.751 0.938 ! 
assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      3.710 3.710 0.927 ! 
assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      3.624 3.624 0.906 ! 
assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      4.732 4.732 1.183 ! 
assign ((resid    27 and name     HB1))   ((resid    43 and name     HD*))      4.627 4.627 1.157 ! 
assign ((resid    27 and name     HB2))   ((resid    43 and name     HD*))      4.448 4.448 1.112 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB1))      4.785 4.785 1.196 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB2))      4.285 4.285 1.071 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB2))      4.697 4.697 1.174 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      3.166 3.166 0.791 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      3.190 3.190 0.797 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      4.074 4.074 1.018 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      4.043 4.043 1.011 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name      HG))      3.573 3.573 0.893 ! 
assign ((resid    27 and name      HN))   ((resid    43 and name     HD*) or 
                                           (resid    56 and name     HD*) or 
                                           (resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.176 4.176 1.044 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    52 and name     HB1))      3.404 3.404 0.851 ! 
assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.928 4.928 1.232 ! 
assign ((resid    28 and name      HA))   ((resid    28 and name      HN))      2.836 0.709 0.709 ! 
assign ((resid    28 and name     HB#))   ((resid    28 and name      HN))      2.045 2.045 0.511 ! 
assign ((resid    28 and name      HA))   ((resid    29 and name      HN))      3.883 0.971 0.971 ! 
assign ((resid    28 and name     HB#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.964 4.964 1.241 ! 
assign ((resid    28 and name     HB#))   ((resid    29 and name      HN))      2.608 2.608 0.652 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name      HA))      4.342 1.085 1.085 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name      HA))      4.728 1.182 1.182 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HB1))      2.654 0.663 0.663 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HB1))      2.762 0.691 0.691 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HB2))      3.045 0.761 0.761 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.277 4.277 1.069 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.320 4.320 1.080 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.551 4.551 1.138 ! 
assign ((resid    28 and name      HA))   ((resid    31 and name      HN))      3.311 0.828 0.828 ! 
assign ((resid    28 and name     HB#))   ((resid    31 and name     HB1))      3.922 3.922 0.981 ! 
assign ((resid    28 and name     HB#))   ((resid    31 and name     HB1))      4.218 4.218 1.054 ! 
assign ((resid    28 and name      HA))   ((resid    32 and name      HN))      4.297 1.074 1.074 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.004 4.004 1.001 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.948 3.948 0.987 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.531 3.531 0.883 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.228 3.228 0.807 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.765 3.765 0.941 ! 
assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.262 3.262 0.816 ! 
assign ((resid    29 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.531 3.531 0.883 ! 
assign ((resid    29 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.930 3.930 0.983 ! 
assign ((resid    29 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      2.958 2.958 0.740 ! 
assign ((resid    29 and name      HA))   ((resid    29 and name      HN))      2.833 0.708 0.708 ! 
assign ((resid    29 and name     HB1))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.290 3.290 0.823 ! 
assign ((resid    29 and name     HB1))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.615 4.615 1.154 ! 
assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    29 and name      HN))      3.213 3.213 0.803 ! 
assign ((resid    29 and name     HB2))   ((resid    29 and name      HN))      2.628 0.657 0.657 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HA))      3.309 3.309 0.827 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HA))      3.730 3.730 0.932 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name     HB1))      2.750 2.750 0.688 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name     HB1))      3.248 3.248 0.812 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HN))      3.423 3.423 0.856 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HN))      4.057 4.057 1.014 ! 
assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HB1))      4.766 4.766 1.192 ! 
assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.448 3.448 0.862 ! 
assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.175 3.175 0.794 ! 
assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.294 3.294 0.824 ! 
assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HA))      2.989 2.989 0.747 ! 
assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HA))      2.604 2.604 0.651 ! 
assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.190 3.190 0.797 ! 
assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.090 3.090 0.772 ! 
assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HN))      2.792 2.792 0.698 ! 
assign ((resid    29 and name      HA))   ((resid    30 and name      HN))      3.894 0.974 0.974 ! 
assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    30 and name      HN))      3.866 3.866 0.967 ! 
assign ((resid    29 and name     HB2))   ((resid    30 and name      HN))      3.306 0.827 0.827 ! 
assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HN))      4.071 4.071 1.018 ! 
assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      2.980 2.980 0.745 ! 
assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      3.190 3.190 0.797 ! 
assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      2.652 2.652 0.663 ! 
assign ((resid    29 and name      HA))   ((resid    32 and name      HN))      3.074 0.768 0.768 ! 
assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HN))      4.395 4.395 1.099 ! 
assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2) or 
        (resid    40 and name     HB2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.376 4.376 1.094 ! 
assign ((resid    30 and name      HA))   ((resid    30 and name    HD1#))      2.911 2.911 0.728 ! 
assign ((resid    30 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      2.773 2.773 0.693 ! 
assign ((resid    30 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      2.776 2.776 0.694 ! 
assign ((resid    30 and name      HA))   ((resid    30 and name    HG2#))      2.262 2.262 0.566 ! 
assign ((resid    30 and name      HA))   ((resid    30 and name      HN))      3.145 0.786 0.786 ! 
assign ((resid    30 and name      HB))   ((resid    30 and name    HD1#))      2.361 2.361 0.590 ! 
assign ((resid    30 and name    HD1#))   ((resid    30 and name      HB))      2.346 2.346 0.587 ! 
assign ((resid    30 and name    HD1#))   ((resid    30 and name      HN))      3.294 3.294 0.824 ! 
assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HA))      2.835 2.835 0.709 ! 
assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HA))      2.605 2.605 0.651 ! 
assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HN))      2.601 2.601 0.650 ! 
assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HN))      3.561 3.561 0.890 ! 
assign ((resid    30 and name    HG2#))   ((resid    30 and name      HA))      2.262 2.262 0.566 ! 
assign ((resid    30 and name    HG2#))   ((resid    30 and name      HN))      3.476 3.476 0.869 ! 
assign ((resid    30 and name      HA))   ((resid    31 and name      HA))      4.910 1.228 1.228 ! 
assign ((resid    30 and name      HA))   ((resid    31 and name      HN))      4.064 1.016 1.016 ! 
assign ((resid    30 and name      HB))   ((resid    31 and name      HN))      3.104 0.776 0.776 ! 
assign ((resid    30 and name    HG2#))   ((resid    31 and name      HA))      3.584 3.584 0.896 ! 
assign ((resid    30 and name    HG2#))   ((resid    31 and name      HA))      3.557 3.557 0.889 ! 
assign ((resid    30 and name    HG2#))   ((resid    31 and name      HN))      3.525 3.525 0.881 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name     HB1))      3.510 0.877 0.877 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name     HB2))      3.351 0.838 0.838 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      4.699 4.699 1.175 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.930 3.930 0.983 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.779 3.779 0.945 ! 
assign ((resid    30 and name      HA))   ((resid    33 and name      HN))      3.564 0.891 0.891 ! 
assign ((resid    30 and name    HG2#))   ((resid    33 and name     HB1))      4.332 4.332 1.083 ! 
assign ((resid    30 and name      HA))   ((resid    34 and name     HB*))      4.979 4.979 1.245 ! 
assign ((resid    30 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.124 4.124 1.031 ! 
assign ((resid    30 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.326 4.326 1.081 ! 
assign ((resid    30 and name      HA))   ((resid    34 and name      HN))      4.137 1.034 1.034 ! 
assign ((resid    30 and name    HD1#))   ((resid    34 and name     HB*))      4.449 4.449 1.112 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.134 3.134 0.783 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.481 3.481 0.870 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.400 3.400 0.850 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.761 2.761 0.690 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.101 3.101 0.775 ! 
assign ((resid    30 and name    HG2#))   ((resid    34 and name      HN))      3.813 3.813 0.953 ! 
assign ((resid    30 and name    HG2#))   ((resid    36 and name      HB))      2.790 2.790 0.698 ! 
assign ((resid    30 and name    HG2#))   ((resid    36 and name      HB))      2.685 2.685 0.671 ! 
assign ((resid    30 and name    HG2#))   ((resid    36 and name    HD1#))      2.679 2.679 0.670 ! 
assign ((resid    30 and name    HG2#))   ((resid    36 and name      HN))      3.779 3.779 0.945 ! 
assign ((resid    30 and name      HB))   ((resid    41 and name    HE21))      3.787 0.947 0.947 ! 
assign ((resid    30 and name      HB))   ((resid    41 and name    HE22))      3.343 0.836 0.836 ! 
assign ((resid    30 and name    HG2#))   ((resid    41 and name    HE21))      3.612 3.612 0.903 ! 
assign ((resid    30 and name    HG2#))   ((resid    41 and name    HE22))      3.589 3.589 0.897 ! 
assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.641 4.641 1.160 ! 
assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.602 4.602 1.151 ! 
assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.105 4.105 1.026 ! 
assign ((resid    30 and name      HB))   ((resid    43 and name     HD*))      4.225 4.225 1.056 ! 
assign ((resid    30 and name    HD1#))   ((resid    43 and name      HA))      4.962 4.962 1.240 ! 
assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.621 2.621 0.655 ! 
assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.321 2.321 0.580 ! 
assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.277 2.277 0.569 ! 
assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.079 2.079 0.520 ! 
assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    43 and name     HD*))      3.339 3.339 0.835 ! 
assign ((resid    30 and name    HD1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.400 4.400 1.100 ! 
assign ((resid    30 and name    HD1#))   ((resid    69 and name     HB1))      4.402 4.402 1.101 ! 
assign ((resid    30 and name    HD1#))   ((resid    69 and name     HB2))      4.228 4.228 1.057 ! 
assign ((resid    30 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.556 2.556 0.639 ! 
assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.453 2.453 0.613 ! 
assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.368 2.368 0.592 ! 
assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.755 2.755 0.689 ! 
assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.626 2.626 0.656 ! 
assign ((resid    31 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      2.905 2.905 0.726 ! 
assign ((resid    31 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      2.683 2.683 0.671 ! 
assign ((resid    31 and name      HA))   ((resid    31 and name      HN))      2.973 0.743 0.743 ! 
assign ((resid    31 and name     HB1))   ((resid    31 and name      HN))      2.714 0.678 0.678 ! 
assign ((resid    31 and name     HB2))   ((resid    31 and name      HN))      2.704 0.676 0.676 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HA))      2.950 2.950 0.738 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HA))      2.722 2.722 0.680 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name    HE21))      3.641 3.641 0.910 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HN))      4.234 4.234 1.058 ! 
assign ((resid    31 and name      HA))   ((resid    32 and name      HN))      3.709 0.927 0.927 ! 
assign ((resid    31 and name     HB1))   ((resid    32 and name      HN))      2.839 0.710 0.710 ! 
assign ((resid    31 and name     HB2))   ((resid    32 and name      HN))      3.543 0.886 0.886 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HA))      3.957 3.957 0.989 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HA))      4.151 4.151 1.038 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HN))      4.003 4.003 1.001 ! 
assign ((resid    31 and name      HA))   ((resid    34 and name     HB*))      4.920 4.920 1.230 ! 
assign ((resid    31 and name      HA))   ((resid    34 and name     HB*))      4.838 4.838 1.210 ! 
assign ((resid    31 and name      HA))   ((resid    34 and name      HN))      4.184 1.046 1.046 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2) or 
        (resid    33 and name     HB1))   ((resid    34 and name      HN))      3.270 3.270 0.818 ! 
assign ((resid    31 and name      HA))   ((resid    35 and name     HA*))      4.427 4.427 1.107 ! 
assign ((resid    31 and name      HA))   ((resid    35 and name     HA*))      3.994 3.994 0.999 ! 
assign ((resid    31 and name      HA))   ((resid    35 and name      HN))      3.008 0.752 0.752 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.691 4.691 1.173 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.712 4.712 1.178 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.611 4.611 1.153 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.706 4.706 1.177 ! 
assign ((resid    31 and name      HA))   ((resid    36 and name      HB))      4.340 1.085 1.085 ! 
assign ((resid    31 and name      HA))   ((resid    36 and name      HB))      4.112 1.028 1.028 ! 
assign ((resid    31 and name      HA))   ((resid    36 and name    HG2#))      4.466 4.466 1.117 ! 
assign ((resid    31 and name      HA))   ((resid    36 and name    HG2#))      4.423 4.423 1.106 ! 
assign ((resid    31 and name      HA))   ((resid    36 and name      HN))      2.443 0.611 0.611 ! 
assign ((resid    31 and name      HA))   ((resid    37 and name      HA))      4.602 1.151 1.151 ! 
assign ((resid    31 and name      HA))   ((resid    37 and name      HA))      4.732 1.183 1.183 ! 
assign ((resid    31 and name     HB1))   ((resid    37 and name      HA))      4.349 1.087 1.087 ! 
assign ((resid    31 and name     HB1))   ((resid    37 and name      HA))      4.712 1.178 1.178 ! 
assign ((resid    31 and name     HB2))   ((resid    37 and name      HA))      3.660 0.915 0.915 ! 
assign ((resid    31 and name    HE21))   ((resid    37 and name      HA))      3.930 0.983 0.983 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      4.056 4.056 1.014 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      4.128 4.128 1.032 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      3.448 3.448 0.862 ! 
assign ((resid    31 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.725 4.725 1.181 ! 
assign ((resid    31 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.358 4.358 1.089 ! 
assign ((resid    31 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.672 3.672 0.918 ! 
assign ((resid    31 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.343 3.343 0.836 ! 
assign ((resid    31 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.765 3.765 0.941 ! 
assign ((resid    31 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.385 4.385 1.096 ! 
assign ((resid    31 and name     HB2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.859 2.859 0.715 ! 
assign ((resid    31 and name    HE22))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.710 3.710 0.927 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.939 3.939 0.985 ! 
assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.584 3.584 0.896 ! 
assign ((resid    31 and name      HN) or 
        (resid    72 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.522 3.522 0.880 ! 
assign ((resid    31 and name      HN) or 
        (resid    72 and name      HN))   ((resid    71 and name     HD*) or 
                                           (resid    69 and name     HD*) or 
                                           (resid    73 and name     HD*))      4.335 4.335 1.084 ! 
assign ((resid    32 and name      HA))   ((resid    32 and name      HN))      2.544 0.636 0.636 ! 
assign ((resid    32 and name     HB*) or 
        (resid    32 and name     HB*))   ((resid    32 and name      HN))      2.293 2.293 0.573 ! 
assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.239 4.239 1.060 ! 
assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.489 4.489 1.122 ! 
assign ((resid    32 and name     HB*) or 
        (resid    32 and name     HB*))   ((resid    33 and name      HN))      3.000 3.000 0.750 ! 
assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.466 4.466 1.117 ! 
assign ((resid    33 and name      HA))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.946 2.946 0.737 ! 
assign ((resid    33 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.838 4.838 1.210 ! 
assign ((resid    33 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      2.581 2.581 0.645 ! 
assign ((resid    33 and name      HA))   ((resid    33 and name      HN))      2.719 0.680 0.680 ! 
assign ((resid    33 and name     HB1))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.169 3.169 0.792 ! 
assign ((resid    33 and name     HB2))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.958 2.958 0.740 ! 
assign ((resid    33 and name     HB2))   ((resid    33 and name      HN))      2.460 0.615 0.615 ! 
assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name      HA))      2.618 2.618 0.654 ! 
assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name     HB1))      2.925 2.925 0.731 ! 
assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name     HB2))      2.886 2.886 0.722 ! 
assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name      HN))      4.306 4.306 1.077 ! 
assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name      HA))      4.263 4.263 1.066 ! 
assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HB1))      4.145 4.145 1.036 ! 
assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HB2))      4.033 4.033 1.008 ! 
assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      2.640 2.640 0.660 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name      HA))      2.513 2.513 0.628 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      2.954 2.954 0.739 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name      HN))      2.687 2.687 0.672 ! 
assign ((resid    33 and name      HA))   ((resid    34 and name      HN))      3.704 0.926 0.926 ! 
assign ((resid    33 and name     HB2))   ((resid    34 and name      HN))      3.025 0.756 0.756 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.863 3.863 0.966 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.159 4.159 1.040 ! 
assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name      HN))      4.043 4.043 1.011 ! 
assign ((resid    34 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.991 2.991 0.748 ! 
assign ((resid    34 and name      HA))   ((resid    34 and name      HN))      3.065 0.766 0.766 ! 
assign ((resid    34 and name     HB*))   ((resid    34 and name      HN))      2.801 2.801 0.700 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    34 and name      HA))      2.580 2.580 0.645 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    34 and name      HN))      3.188 3.188 0.797 ! 
assign ((resid    34 and name      HA))   ((resid    35 and name     HA*))      4.979 4.979 1.245 ! 
assign ((resid    34 and name      HA))   ((resid    35 and name      HN))      3.678 0.919 0.919 ! 
assign ((resid    34 and name     HB*))   ((resid    35 and name      HN))      4.122 4.122 1.030 ! 
assign ((resid    34 and name     HB*))   ((resid    35 and name      HN))      4.345 4.345 1.086 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name      HB))      4.912 4.912 1.228 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name      HB))      4.728 4.728 1.182 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.541 3.541 0.885 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.248 3.248 0.812 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name      HN))      3.550 3.550 0.887 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.371 3.371 0.843 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.209 3.209 0.802 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.481 3.481 0.870 ! 
assign ((resid    34 and name     HB*))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.847 3.847 0.962 ! 
assign ((resid    34 and name     HB*) or 
        (resid    38 and name     HB1))   ((resid    36 and name      HN))      4.057 4.057 1.014 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name      HB))      4.973 4.973 1.243 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HD1#))      3.387 3.387 0.847 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HD1#))      3.117 3.117 0.779 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.985 3.985 0.996 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.167 4.167 1.042 ! 
assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.246 4.246 1.062 ! 
assign ((resid    35 and name     HA*))   ((resid    35 and name      HN))      2.843 2.843 0.711 ! 
assign ((resid    35 and name     HA*))   ((resid    35 and name      HN))      2.372 2.372 0.593 ! 
assign ((resid    35 and name     HA*))   ((resid    36 and name      HN))      3.911 3.911 0.978 ! 
assign ((resid    35 and name     HA*))   ((resid    36 and name      HN))      3.678 3.678 0.919 ! 
assign ((resid    36 and name      HA))   ((resid    36 and name    HD1#))      3.375 3.375 0.844 ! 
assign ((resid    36 and name      HA))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.090 3.090 0.772 ! 
assign ((resid    36 and name      HA))   ((resid    36 and name    HG2#))      2.364 2.364 0.591 ! 
assign ((resid    36 and name      HA))   ((resid    36 and name      HN))      2.858 0.715 0.715 ! 
assign ((resid    36 and name      HB))   ((resid    36 and name    HD1#))      2.426 2.426 0.607 ! 
assign ((resid    36 and name      HB))   ((resid    36 and name      HN))      2.628 0.657 0.657 ! 
assign ((resid    36 and name    HD1#))   ((resid    36 and name      HA))      3.387 3.387 0.847 ! 
assign ((resid    36 and name    HD1#))   ((resid    36 and name      HB))      2.494 2.494 0.624 ! 
assign ((resid    36 and name    HD1#))   ((resid    36 and name      HN))      3.598 3.598 0.899 ! 
assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    36 and name      HA))      3.151 3.151 0.788 ! 
assign ((resid    36 and name    HG2#))   ((resid    36 and name      HA))      2.288 2.288 0.572 ! 
assign ((resid    36 and name    HG2#))   ((resid    36 and name      HN))      3.284 3.284 0.821 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name      HA))      4.838 1.210 1.210 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      4.847 4.847 1.212 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      1.944 1.944 0.486 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.138 2.138 0.534 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      1.974 1.974 0.493 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.236 2.236 0.559 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.641 3.641 0.910 ! 
assign ((resid    36 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.515 3.515 0.879 ! 
assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.383 4.383 1.096 ! 
assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.391 4.391 1.098 ! 
assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.953 4.953 1.238 ! 
assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.789 4.789 1.197 ! 
assign ((resid    36 and name    HD1#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.926 4.926 1.232 ! 
assign ((resid    36 and name    HD1#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.623 4.623 1.156 ! 
assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.855 4.855 1.214 ! 
assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.568 4.568 1.142 ! 
assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.780 4.780 1.195 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      4.140 4.140 1.035 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*) or 
                                           (resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.871 3.871 0.968 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.859 2.859 0.715 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.542 2.542 0.635 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.088 3.088 0.772 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.685 2.685 0.671 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.975 3.975 0.994 ! 
assign ((resid    36 and name    HG2#))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      4.141 4.141 1.035 ! 
assign ((resid    36 and name    HG2#))   ((resid    38 and name      HA))      4.233 4.233 1.058 ! 
assign ((resid    36 and name    HG2#))   ((resid    38 and name      HA))      4.643 4.643 1.161 ! 
assign ((resid    36 and name    HG2#))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.522 4.522 1.131 ! 
assign ((resid    36 and name      HA))   ((resid    40 and name     HB2))      4.926 1.232 1.232 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name      HA))      4.467 4.467 1.117 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB1))      3.090 3.090 0.772 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB1))      3.104 3.104 0.776 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB2))      2.644 2.644 0.661 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB2))      2.701 2.701 0.675 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.486 3.486 0.872 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.312 3.312 0.828 ! 
assign ((resid    36 and name    HG2#))   ((resid    40 and name      HN))      4.071 4.071 1.018 ! 
assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.275 4.275 1.069 ! 
assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.411 4.411 1.103 ! 
assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.433 4.433 1.108 ! 
assign ((resid    36 and name    HD1#))   ((resid    41 and name      HA))      4.838 4.838 1.210 ! 
assign ((resid    36 and name    HD1#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.668 4.668 1.167 ! 
assign ((resid    36 and name    HD1#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.985 3.985 0.996 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name      HA))      3.601 3.601 0.900 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name      HA))      3.496 3.496 0.874 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      4.588 4.588 1.147 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name    HE21))      3.737 3.737 0.934 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.676 2.676 0.669 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.823 2.823 0.706 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.593 2.593 0.648 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.739 2.739 0.685 ! 
assign ((resid    36 and name    HG2#))   ((resid    41 and name      HN))      4.107 4.107 1.027 ! 
assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    42 and name      HA))      3.140 3.140 0.785 ! 
assign ((resid    36 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.907 4.907 1.227 ! 
assign ((resid    36 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.489 4.489 1.122 ! 
assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.339 4.339 1.085 ! 
assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.600 4.600 1.150 ! 
assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.094 4.094 1.024 ! 
assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.203 4.203 1.051 ! 
assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.531 2.531 0.633 ! 
assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.703 2.703 0.676 ! 
assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.430 2.430 0.608 ! 
assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.400 3.400 0.850 ! 
assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.408 3.408 0.852 ! 
assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.225 2.225 0.556 ! 
assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.559 2.559 0.640 ! 
assign ((resid    36 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.967 4.967 1.242 ! 
assign ((resid    36 and name    HD1#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.009 3.009 0.752 ! 
assign ((resid    36 and name    HD1#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.892 2.892 0.723 ! 
assign ((resid    36 and name    HD1#))   ((resid    71 and name      HG))      4.766 4.766 1.192 ! 
assign ((resid    36 and name    HG2#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.776 2.776 0.694 ! 
assign ((resid    36 and name    HG2#))   ((resid    71 and name      HG))      4.680 4.680 1.170 ! 
assign ((resid    37 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.013 4.013 1.003 ! 
assign ((resid    37 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.930 3.930 0.983 ! 
assign ((resid    37 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.375 3.375 0.844 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.816 3.816 0.954 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.462 3.462 0.866 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.930 3.930 0.983 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.190 3.190 0.797 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name      HA))      4.333 4.333 1.083 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name      HA))      3.922 3.922 0.981 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.647 3.647 0.912 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.612 3.612 0.903 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.562 3.562 0.890 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.232 3.232 0.808 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name      HA))      4.860 1.215 1.215 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      1.838 1.838 0.460 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      1.821 1.821 0.455 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.794 3.794 0.949 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.847 3.847 0.962 ! 
assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.033 4.033 1.008 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.784 2.784 0.696 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.222 3.222 0.805 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.921 2.921 0.730 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.273 3.273 0.818 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.488 4.488 1.122 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    39 and name      HN))      4.064 4.064 1.016 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    39 and name      HN))      3.380 3.380 0.845 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HB1))      3.896 3.896 0.974 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.355 3.355 0.839 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.462 3.462 0.866 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    40 and name      HN))      3.432 3.432 0.858 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB1))      3.975 3.975 0.994 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB1))      4.249 4.249 1.062 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      4.274 4.274 1.069 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      3.430 3.430 0.858 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      4.964 4.964 1.241 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      3.510 3.510 0.877 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      4.619 4.619 1.155 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.641 3.641 0.910 ! 
assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.704 3.704 0.926 ! 
assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB1))      4.212 4.212 1.053 ! 
assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB2))      4.937 4.937 1.234 ! 
assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB2))      4.395 4.395 1.099 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    41 and name      HN))      2.657 2.657 0.664 ! 
assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    42 and name      HN))      3.845 3.845 0.961 ! 
assign ((resid    38 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.515 3.515 0.879 ! 
assign ((resid    38 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.359 3.359 0.840 ! 
assign ((resid    38 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      2.939 2.939 0.735 ! 
assign ((resid    38 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.347 3.347 0.837 ! 
assign ((resid    38 and name     HB2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.978 2.978 0.745 ! 
assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name      HA))      3.347 3.347 0.837 ! 
assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name     HB1))      3.343 3.343 0.836 ! 
assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name     HB2))      3.093 3.093 0.773 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    38 and name      HA))      3.383 3.383 0.846 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    38 and name      HA))      2.933 2.933 0.733 ! 
assign ((resid    38 and name      HA))   ((resid    39 and name      HA))      4.990 1.248 1.248 ! 
assign ((resid    38 and name      HA))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.588 4.588 1.147 ! 
assign ((resid    38 and name      HA))   ((resid    39 and name      HN))      4.003 1.001 1.001 ! 
assign ((resid    38 and name     HB1))   ((resid    39 and name      HA))      4.750 1.188 1.188 ! 
assign ((resid    38 and name     HB1))   ((resid    39 and name      HA))      4.835 1.209 1.209 ! 
assign ((resid    38 and name     HB1))   ((resid    39 and name      HN))      3.750 0.938 0.938 ! 
assign ((resid    38 and name     HB2))   ((resid    39 and name      HA))      4.891 1.223 1.223 ! 
assign ((resid    38 and name     HB2))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.577 4.577 1.144 ! 
assign ((resid    38 and name     HB2))   ((resid    39 and name     HB*))      4.993 4.993 1.248 ! 
assign ((resid    38 and name     HB2))   ((resid    39 and name      HN))      2.855 0.714 0.714 ! 
assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    39 and name      HN))      3.134 3.134 0.783 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    39 and name      HN))      3.861 3.861 0.965 ! 
assign ((resid    38 and name      HA))   ((resid    40 and name      HN))      4.192 1.048 1.048 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.966 3.966 0.992 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name    HE21))      3.730 0.932 0.932 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name    HE22))      3.922 0.981 0.981 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.047 3.047 0.762 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.801 3.801 0.950 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.232 3.232 0.808 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.985 3.985 0.996 ! 
assign ((resid    38 and name      HA))   ((resid    41 and name      HN))      3.917 0.979 0.979 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HB1))      4.153 4.153 1.038 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HB2))      3.612 3.612 0.903 ! 
assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.843 4.843 1.211 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    39 and name      HN))      2.644 2.644 0.661 ! 
assign ((resid    39 and name     HB*) or 
        (resid    39 and name     HB*))   ((resid    39 and name      HN))      2.667 2.667 0.667 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      2.225 2.225 0.556 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    40 and name      HN))      2.789 2.789 0.697 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    41 and name      HN))      3.134 3.134 0.783 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    71 and name      HA))      4.697 4.697 1.174 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name     HB*))      3.430 3.430 0.858 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      3.290 3.290 0.823 ! 
assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name      HN))      3.745 3.745 0.936 ! 
assign ((resid    40 and name     HB1))   ((resid    40 and name      HN))      3.519 0.880 0.880 ! 
assign ((resid    40 and name     HB2))   ((resid    40 and name      HN))      2.730 0.682 0.682 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name      HA))      2.172 2.172 0.543 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name    HE21))      3.109 3.109 0.777 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name    HE22))      3.404 3.404 0.851 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name      HN))      2.845 2.845 0.711 ! 
assign ((resid    40 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.863 3.863 0.966 ! 
assign ((resid    40 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.618 3.618 0.904 ! 
assign ((resid    40 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.994 3.994 0.999 ! 
assign ((resid    40 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.922 3.922 0.981 ! 
assign ((resid    40 and name     HB1))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.235 4.235 1.059 ! 
assign ((resid    40 and name     HB1))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.004 4.004 1.001 ! 
assign ((resid    40 and name     HB2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.757 4.757 1.189 ! 
assign ((resid    40 and name     HB2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.581 4.581 1.145 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.459 4.459 1.115 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*) or 
                                           (resid    73 and name     HD*))      4.170 4.170 1.042 ! 
assign ((resid    40 and name     HB1))   ((resid    72 and name      HN))      3.984 0.996 0.996 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      4.768 4.768 1.192 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      4.931 4.931 1.233 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    73 and name      HA))      3.913 3.913 0.978 ! 
assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    73 and name      HG) or 
                                           (resid    74 and name     HG1) or 
                                           (resid    74 and name     HG2))      4.575 4.575 1.144 ! 
assign ((resid    41 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.148 3.148 0.787 ! 
assign ((resid    41 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.923 2.923 0.731 ! 
assign ((resid    41 and name      HA))   ((resid    41 and name      HN))      3.093 0.773 0.773 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HA))      3.140 3.140 0.785 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HA))      2.870 2.870 0.718 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE21))      3.343 3.343 0.836 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE21))      3.975 3.975 0.994 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE22))      3.779 3.779 0.945 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HN))      2.975 2.975 0.744 ! 
assign ((resid    41 and name      HA))   ((resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2) or 
                                           (resid    43 and name      HG))      4.406 4.406 1.101 ! 
assign ((resid    41 and name      HA))   ((resid    42 and name      HN))      2.162 0.540 0.540 ! 
assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    43 and name     HD*))      4.503 4.503 1.126 ! 
assign ((resid    41 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.002 3.002 0.750 ! 
assign ((resid    41 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.018 3.018 0.754 ! 
assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.122 4.122 1.030 ! 
assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.274 2.274 0.569 ! 
assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.241 2.241 0.560 ! 
assign ((resid    41 and name      HA))   ((resid    69 and name      HG))      4.606 1.151 1.151 ! 
assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.973 2.973 0.743 ! 
assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.610 2.610 0.652 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.140 3.140 0.785 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.630 2.630 0.657 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.035 3.035 0.759 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.625 2.625 0.656 ! 
assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name      HG))      4.761 4.761 1.190 ! 
assign ((resid    41 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.023 4.023 1.006 ! 
assign ((resid    41 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.708 4.708 1.177 ! 
assign ((resid    41 and name      HA) or 
        (resid    74 and name      HA))   ((resid    74 and name      HN))      2.962 2.962 0.741 ! 
assign ((resid    42 and name      HA))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.351 3.351 0.838 ! 
assign ((resid    42 and name      HA))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2) or 
                                           (resid    45 and name     HB2))      3.163 3.163 0.791 ! 
assign ((resid    42 and name      HA))   ((resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.002 3.002 0.750 ! 
assign ((resid    42 and name      HA))   ((resid    42 and name      HN))      3.296 0.824 0.824 ! 
assign ((resid    42 and name     HB*))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.166 3.166 0.791 ! 
assign ((resid    42 and name     HB*))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.203 3.203 0.801 ! 
assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    42 and name      HN))      3.155 3.155 0.789 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    42 and name     HB*))      3.067 3.067 0.767 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    42 and name     HB*))      2.995 2.995 0.749 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG) or 
        (resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    42 and name      HN))      3.819 3.819 0.955 ! 
assign ((resid    42 and name      HA))   ((resid    43 and name      HA))      4.408 1.102 1.102 ! 
assign ((resid    42 and name      HA))   ((resid    43 and name      HN))      2.117 0.529 0.529 ! 
assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    43 and name      HN))      3.965 3.965 0.991 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    43 and name      HA))      3.383 3.383 0.846 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    43 and name      HN))      3.324 3.324 0.831 ! 
assign ((resid    42 and name     HB*))   ((resid    44 and name    HD1#))      4.156 4.156 1.039 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      4.075 4.075 1.019 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      3.744 3.744 0.936 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      3.305 3.305 0.826 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    44 and name    HD1#))      4.425 4.425 1.106 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    45 and name     HB2))   ((resid    45 and name      HN))      3.602 3.602 0.900 ! 
assign ((resid    42 and name     HB*))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.122 4.122 1.030 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.801 4.801 1.200 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.323 4.323 1.081 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.433 4.433 1.108 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.948 3.948 0.987 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.249 4.249 1.062 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.975 3.975 0.994 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.847 3.847 0.962 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.363 3.363 0.841 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.052 4.052 1.013 ! 
assign ((resid    42 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.122 4.122 1.030 ! 
assign ((resid    42 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.476 4.476 1.119 ! 
assign ((resid    42 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.743 2.743 0.686 ! 
assign ((resid    42 and name      HA))   ((resid    70 and name    HG2#))      4.461 4.461 1.115 ! 
assign ((resid    42 and name     HB*))   ((resid    70 and name      HB))      3.371 3.371 0.843 ! 
assign ((resid    42 and name     HB*))   ((resid    70 and name    HG2#))      3.467 3.467 0.867 ! 
assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    70 and name      HN))      4.306 4.306 1.077 ! 
assign ((resid    42 and name     HB*))   ((resid    70 and name      HB))      3.252 3.252 0.813 ! 
assign ((resid    42 and name     HB*))   ((resid    70 and name    HG2#))      3.387 3.387 0.847 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      4.443 4.443 1.111 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      4.653 4.653 1.163 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      3.985 3.985 0.996 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name    HG2#))      3.787 3.787 0.947 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    45 and name     HB2))   ((resid    70 and name    HG2#))      3.635 3.635 0.909 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name    HG2#))      3.331 3.331 0.833 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    70 and name    HG2#))      4.033 4.033 1.008 ! 
assign ((resid    42 and name      HN))   ((resid    71 and name      HA))      3.736 0.934 0.934 ! 
assign ((resid    42 and name     HB*))   ((resid    72 and name      HA))      4.792 4.792 1.198 ! 
assign ((resid    42 and name     HB*) or 
        (resid    72 and name     HB*))   ((resid    72 and name      HN))      3.205 3.205 0.801 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    72 and name      HA))      4.320 4.320 1.080 ! 
assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name      HA))      2.967 2.967 0.742 ! 
assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG) or 
        (resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    72 and name      HN) or 
                                           (resid    31 and name      HN))      3.016 3.016 0.754 ! 
assign ((resid    42 and name     HB*) or 
        (resid    72 and name     HB*))   ((resid    73 and name      HN))      3.990 3.990 0.998 ! 
assign ((resid    43 and name      HA))   ((resid    43 and name     HD*))      3.751 3.751 0.938 ! 
assign ((resid    43 and name      HA))   ((resid    43 and name      HN))      3.429 0.857 0.857 ! 
assign ((resid    43 and name     HB1))   ((resid    43 and name     HD*))      2.749 2.749 0.687 ! 
assign ((resid    43 and name     HB1))   ((resid    43 and name      HN))      3.621 0.905 0.905 ! 
assign ((resid    43 and name     HB2))   ((resid    43 and name     HD*))      2.637 2.637 0.659 ! 
assign ((resid    43 and name     HB2))   ((resid    43 and name     HD*))      3.298 3.298 0.825 ! 
assign ((resid    43 and name     HB2))   ((resid    43 and name      HN))      2.823 0.706 0.706 ! 
assign ((resid    43 and name     HD*))   ((resid    43 and name      HA))      3.595 3.595 0.899 ! 
assign ((resid    43 and name     HD*))   ((resid    43 and name     HB1))      2.892 2.892 0.723 ! 
assign ((resid    43 and name     HD*))   ((resid    43 and name     HB2))      2.776 2.776 0.694 ! 
assign ((resid    43 and name     HD*))   ((resid    43 and name     HB1))      2.566 2.566 0.641 ! 
assign ((resid    43 and name     HD*))   ((resid    43 and name     HB2))      3.062 3.062 0.765 ! 
assign ((resid    43 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    43 and name      HN))      4.270 4.270 1.067 ! 
assign ((resid    43 and name      HG))   ((resid    43 and name      HA))      3.225 0.806 0.806 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name      HA))      4.515 1.129 1.129 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name      HA))      4.540 1.135 1.135 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name      HB))      4.835 1.209 1.209 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name    HD1#))      4.228 4.228 1.057 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name    HD1#))      4.176 4.176 1.044 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      4.659 4.659 1.165 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      4.835 4.835 1.209 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12) or 
                                           (resid    69 and name      HG))      4.498 4.498 1.125 ! 
assign ((resid    43 and name      HA))   ((resid    44 and name      HN))      2.183 0.546 0.546 ! 
assign ((resid    43 and name     HB1))   ((resid    44 and name      HN))      3.855 0.964 0.964 ! 
assign ((resid    43 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    44 and name      HN))      3.572 3.572 0.893 ! 
assign ((resid    43 and name      HN))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.288 4.288 1.072 ! 
assign ((resid    43 and name      HA))   ((resid    50 and name     HD*))      4.606 4.606 1.151 ! 
assign ((resid    43 and name     HB1))   ((resid    50 and name     HB2))      3.930 0.983 0.983 ! 
assign ((resid    43 and name     HB1))   ((resid    50 and name     HB2))      3.855 0.964 0.964 ! 
assign ((resid    43 and name     HB1))   ((resid    50 and name     HD*))      2.745 2.745 0.686 ! 
assign ((resid    43 and name     HB1))   ((resid    50 and name     HD*))      2.980 2.980 0.745 ! 
assign ((resid    43 and name     HB2))   ((resid    50 and name     HB1))      4.116 1.029 1.029 ! 
assign ((resid    43 and name     HB2))   ((resid    50 and name     HB2))      3.400 0.850 0.850 ! 
assign ((resid    43 and name     HB2))   ((resid    50 and name     HD*))      3.067 3.067 0.767 ! 
assign ((resid    43 and name     HB2))   ((resid    50 and name     HD*))      4.695 4.695 1.174 ! 
assign ((resid    43 and name     HD*))   ((resid    50 and name     HB1))      4.678 4.678 1.169 ! 
assign ((resid    43 and name     HD*))   ((resid    50 and name     HB2))      4.741 4.741 1.185 ! 
assign ((resid    43 and name     HD*))   ((resid    50 and name     HD*))      3.678 3.678 0.919 ! 
assign ((resid    43 and name     HD*) or 
        (resid    56 and name     HD*))   ((resid    56 and name      HN))      3.731 3.731 0.933 ! 
assign ((resid    43 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.449 4.449 1.112 ! 
assign ((resid    43 and name     HD*))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.646 2.646 0.661 ! 
assign ((resid    43 and name      HA))   ((resid    69 and name     HB1))      4.712 1.178 1.178 ! 
assign ((resid    43 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.635 3.635 0.909 ! 
assign ((resid    43 and name     HD*))   ((resid    69 and name      HA))      2.396 2.396 0.599 ! 
assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    69 and name      HN))      4.129 4.129 1.032 ! 
assign ((resid    43 and name      HA))   ((resid    70 and name    HG2#))      4.643 4.643 1.161 ! 
assign ((resid    43 and name      HA))   ((resid    70 and name      HN))      4.335 1.084 1.084 ! 
assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HN))      2.759 2.759 0.690 ! 
assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name      HN))      3.888 3.888 0.972 ! 
assign ((resid    44 and name      HA))   ((resid    44 and name    HD1#))      2.704 2.704 0.676 ! 
assign ((resid    44 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      2.944 2.944 0.736 ! 
assign ((resid    44 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      2.907 2.907 0.727 ! 
assign ((resid    44 and name      HA))   ((resid    44 and name    HG2#))      2.304 2.304 0.576 ! 
assign ((resid    44 and name      HA))   ((resid    44 and name      HN))      3.366 0.842 0.842 ! 
assign ((resid    44 and name      HB))   ((resid    44 and name    HD1#))      2.674 2.674 0.668 ! 
assign ((resid    44 and name      HB))   ((resid    44 and name      HN))      2.810 0.703 0.703 ! 
assign ((resid    44 and name    HD1#))   ((resid    44 and name      HA))      2.764 2.764 0.691 ! 
assign ((resid    44 and name    HD1#))   ((resid    44 and name      HB))      2.700 2.700 0.675 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HA))      2.998 2.998 0.750 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HA))      3.037 3.037 0.759 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HN))      3.653 3.653 0.913 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    44 and name      HN))      3.550 3.550 0.887 ! 
assign ((resid    44 and name    HG2#))   ((resid    44 and name      HA))      2.262 2.262 0.566 ! 
assign ((resid    44 and name    HG2#))   ((resid    44 and name      HN))      4.226 4.226 1.056 ! 
assign ((resid    44 and name      HA))   ((resid    45 and name      HN))      2.125 0.531 0.531 ! 
assign ((resid    44 and name    HG2#))   ((resid    45 and name      HA))      3.546 3.546 0.886 ! 
assign ((resid    44 and name    HG2#))   ((resid    45 and name      HA))      3.248 3.248 0.812 ! 
assign ((resid    44 and name    HG2#))   ((resid    45 and name     HB2))      4.896 4.896 1.224 ! 
assign ((resid    44 and name    HG2#))   ((resid    45 and name      HN))      2.766 2.766 0.692 ! 
assign ((resid    44 and name    HG2#))   ((resid    46 and name      HA))      4.668 4.668 1.167 ! 
assign ((resid    44 and name    HG2#))   ((resid    46 and name      HA))      4.923 4.923 1.231 ! 
assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      3.169 3.169 0.792 ! 
assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      3.816 3.816 0.954 ! 
assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      2.835 2.835 0.709 ! 
assign ((resid    44 and name    HG2#))   ((resid    47 and name      HN))      2.704 2.704 0.676 ! 
assign ((resid    44 and name    HG2#))   ((resid    48 and name      HA))      3.913 3.913 0.978 ! 
assign ((resid    44 and name    HG2#))   ((resid    48 and name      HA))      3.697 3.697 0.924 ! 
assign ((resid    44 and name    HG2#))   ((resid    48 and name      HN))      3.011 3.011 0.753 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name      HA))      2.225 0.556 0.556 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name      HA))      2.182 0.545 0.545 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.556 4.556 1.139 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.939 3.939 0.985 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.423 4.423 1.106 ! 
assign ((resid    44 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.183 4.183 1.046 ! 
assign ((resid    44 and name      HB))   ((resid    49 and name      HA))      4.717 1.179 1.179 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name      HA))      2.650 2.650 0.662 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name      HA))      2.598 2.598 0.649 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.355 3.355 0.839 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.018 3.018 0.754 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.037 3.037 0.759 ! 
assign ((resid    44 and name    HD1#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      2.864 2.864 0.716 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.400 3.400 0.850 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.259 3.259 0.815 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.557 3.557 0.889 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.232 3.232 0.808 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.659 4.659 1.165 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.531 4.531 1.133 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.282 4.282 1.071 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.023 4.023 1.006 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.546 4.546 1.137 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.261 4.261 1.065 ! 
assign ((resid    44 and name    HG2#))   ((resid    49 and name      HA))      3.363 3.363 0.841 ! 
assign ((resid    44 and name    HG2#))   ((resid    49 and name      HA))      3.193 3.193 0.798 ! 
assign ((resid    44 and name    HG2#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.888 4.888 1.222 ! 
assign ((resid    44 and name    HG2#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.046 4.046 1.012 ! 
assign ((resid    44 and name    HG2#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.392 4.392 1.098 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.184 3.184 0.796 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      4.119 4.119 1.030 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.794 3.794 0.949 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.744 3.744 0.936 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name      HG))      3.339 0.835 0.835 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name      HG))      3.294 0.824 0.824 ! 
assign ((resid    44 and name      HA))   ((resid    50 and name      HN))      3.314 0.829 0.829 ! 
assign ((resid    44 and name    HD1#))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.196 3.196 0.799 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.462 4.462 1.115 ! 
assign ((resid    44 and name      HN))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.374 4.374 1.093 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name      HA))      4.875 1.219 1.219 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name      HA))      4.931 1.233 1.233 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name     HB1))      2.835 0.709 0.709 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name     HB1))      2.998 0.750 0.750 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name     HB2))      2.689 0.672 0.672 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name     HB2))      2.464 0.616 0.616 ! 
assign ((resid    44 and name      HB))   ((resid    68 and name      HN))      3.670 0.917 0.917 ! 
assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB1))      4.254 4.254 1.063 ! 
assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB1))      4.149 4.149 1.037 ! 
assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB2))      4.383 4.383 1.096 ! 
assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB2))      4.043 4.043 1.011 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB1))      4.923 4.923 1.231 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB1))      4.635 4.635 1.159 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB2))      4.606 4.606 1.151 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB1))      3.704 3.704 0.926 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB1))      4.156 4.156 1.039 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB2))      3.704 3.704 0.926 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB2))      3.630 3.630 0.907 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HE1))      4.484 4.484 1.121 ! 
assign ((resid    44 and name    HG2#))   ((resid    68 and name     HE1))      4.613 4.613 1.153 ! 
assign ((resid    44 and name      HN))   ((resid    68 and name     HB2))      4.217 1.054 1.054 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    69 and name      HN))      4.176 4.176 1.044 ! 
assign ((resid    44 and name      HN))   ((resid    69 and name      HA))      4.374 1.093 1.093 ! 
assign ((resid    44 and name      HB))   ((resid    70 and name    HG2#))      3.541 3.541 0.885 ! 
assign ((resid    44 and name    HD1#))   ((resid    70 and name      HA))      4.942 4.942 1.236 ! 
assign ((resid    44 and name    HD1#))   ((resid    70 and name      HB))      3.525 3.525 0.881 ! 
assign ((resid    44 and name    HD1#))   ((resid    70 and name      HB))      3.606 3.606 0.901 ! 
assign ((resid    44 and name    HD1#))   ((resid    70 and name    HG2#))      2.305 2.305 0.576 ! 
assign ((resid    44 and name    HD1#))   ((resid    70 and name    HG2#))      2.210 2.210 0.552 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.255 3.255 0.814 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.612 3.612 0.903 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.546 3.546 0.886 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    70 and name    HG2#))      3.219 3.219 0.805 ! 
assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    70 and name      HN))      4.092 4.092 1.023 ! 
assign ((resid    44 and name    HG2#))   ((resid    70 and name    HG2#))      4.077 4.077 1.019 ! 
assign ((resid    45 and name      HA))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      2.796 2.796 0.699 ! 
assign ((resid    45 and name      HA))   ((resid    45 and name      HN))      3.438 0.860 0.860 ! 
assign ((resid    45 and name     HB1))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      2.840 2.840 0.710 ! 
assign ((resid    45 and name     HB1))   ((resid    45 and name      HN))      3.260 0.815 0.815 ! 
assign ((resid    45 and name     HB2))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      3.126 3.126 0.781 ! 
assign ((resid    45 and name     HB2))   ((resid    45 and name     HE1) or 
                                           (resid    45 and name     HE2))      3.710 3.710 0.927 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name      HA))      2.993 2.993 0.748 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name     HB1))      3.193 3.193 0.798 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name     HB2))      3.312 3.312 0.828 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    45 and name      HA))      4.691 4.691 1.173 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    45 and name      HZ))      2.378 2.378 0.595 ! 
assign ((resid    45 and name      HZ))   ((resid    45 and name     HE1) or 
                                           (resid    45 and name     HE2))      2.236 2.236 0.559 ! 
assign ((resid    45 and name      HA))   ((resid    46 and name      HA))      4.377 1.094 1.094 ! 
assign ((resid    45 and name      HA))   ((resid    46 and name      HA))      4.881 1.220 1.220 ! 
assign ((resid    45 and name      HA))   ((resid    46 and name     HB#))      4.472 4.472 1.118 ! 
assign ((resid    45 and name      HA))   ((resid    46 and name     HB#))      4.136 4.136 1.034 ! 
assign ((resid    45 and name      HA))   ((resid    46 and name      HN))      2.432 0.608 0.608 ! 
assign ((resid    45 and name     HB1))   ((resid    46 and name     HB#))      4.588 4.588 1.147 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    46 and name     HB#))      4.160 4.160 1.040 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    46 and name     HB#))      3.520 3.520 0.880 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    46 and name     HB#))      4.043 4.043 1.011 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    46 and name     HB#))      3.697 3.697 0.924 ! 
assign ((resid    45 and name      HZ))   ((resid    46 and name     HB#))      4.714 4.714 1.179 ! 
assign ((resid    45 and name      HA))   ((resid    47 and name      HN))      4.395 1.099 1.099 ! 
assign ((resid    45 and name      HN))   ((resid    48 and name     HB1) or 
                                           (resid    48 and name     HB2))      4.279 4.279 1.070 ! 
assign ((resid    45 and name      HN))   ((resid    49 and name      HA))      3.877 0.969 0.969 ! 
assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.472 4.472 1.118 ! 
assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.471 4.471 1.118 ! 
assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.358 4.358 1.089 ! 
assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.522 4.522 1.131 ! 
assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      3.126 3.126 0.781 ! 
assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      2.545 2.545 0.636 ! 
assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      2.523 2.523 0.631 ! 
assign ((resid    45 and name     HB1))   ((resid    50 and name      HG))      4.602 1.151 1.151 ! 
assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      2.965 2.965 0.741 ! 
assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      2.866 2.866 0.717 ! 
assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      3.050 3.050 0.762 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      4.928 4.928 1.232 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      4.342 4.342 1.085 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      3.779 3.779 0.945 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    50 and name     HD*))      4.469 4.469 1.117 ! 
assign ((resid    45 and name      HN))   ((resid    50 and name     HD*))      4.252 4.252 1.063 ! 
assign ((resid    45 and name      HN))   ((resid    50 and name     HD*))      3.383 3.383 0.846 ! 
assign ((resid    45 and name      HN))   ((resid    50 and name      HG))      4.243 1.061 1.061 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    59 and name     HB1))      4.186 4.186 1.046 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    59 and name     HB2))      4.860 4.860 1.215 ! 
assign ((resid    45 and name     HB1))   ((resid    61 and name    HD1#))      3.339 3.339 0.835 ! 
assign ((resid    45 and name     HB2))   ((resid    61 and name    HD1#))      3.206 3.206 0.801 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HD1#))      4.153 4.153 1.038 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HD1#))      3.589 3.589 0.897 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.493 4.493 1.123 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HG2#))      4.915 4.915 1.229 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name      HA))      4.723 4.723 1.181 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HD1#))      4.170 4.170 1.042 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.931 4.931 1.233 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HG2#))      4.835 4.835 1.209 ! 
assign ((resid    45 and name      HZ))   ((resid    61 and name      HA))      4.137 1.034 1.034 ! 
assign ((resid    45 and name      HZ))   ((resid    61 and name      HA))      4.265 1.066 1.066 ! 
assign ((resid    45 and name      HZ))   ((resid    61 and name    HG2#))      4.689 4.689 1.172 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name      HA))      4.976 4.976 1.244 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name     HB1))      3.653 3.653 0.913 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name     HB2))      4.881 4.881 1.220 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name      HA))      4.907 4.907 1.227 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB1))      3.794 3.794 0.949 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB1))      3.324 3.324 0.831 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB2))      4.235 4.235 1.059 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB2))      4.389 4.389 1.097 ! 
assign ((resid    45 and name      HZ))   ((resid    65 and name     HB1))      4.403 1.101 1.101 ! 
assign ((resid    45 and name      HZ))   ((resid    65 and name     HB1))      4.409 1.102 1.102 ! 
assign ((resid    45 and name      HZ))   ((resid    65 and name     HB2))      4.956 1.239 1.239 ! 
assign ((resid    45 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.426 3.426 0.857 ! 
assign ((resid    45 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.956 4.956 1.239 ! 
assign ((resid    45 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.957 3.957 0.989 ! 
assign ((resid    45 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.557 3.557 0.889 ! 
assign ((resid    45 and name      HA))   ((resid    67 and name      HG))      4.808 1.202 1.202 ! 
assign ((resid    45 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.595 3.595 0.899 ! 
assign ((resid    45 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.219 3.219 0.805 ! 
assign ((resid    45 and name     HB1))   ((resid    67 and name      HG))      4.486 1.121 1.121 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.879 3.879 0.970 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.751 3.751 0.938 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.018 3.018 0.754 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.773 2.773 0.693 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name      HG))      3.430 0.858 0.858 ! 
assign ((resid    45 and name     HB2))   ((resid    67 and name      HG))      3.515 0.879 0.879 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HA))      3.647 3.647 0.912 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HA))      3.355 3.355 0.839 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.779 3.779 0.945 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.134 3.134 0.783 ! 
assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HG))      4.398 4.398 1.099 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    67 and name      HA))      4.158 4.158 1.040 ! 
assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.562 3.562 0.890 ! 
assign ((resid    45 and name      HA))   ((resid    68 and name     HE1))      4.046 1.012 1.012 ! 
assign ((resid    45 and name      HA))   ((resid    68 and name     HE1))      4.339 1.085 1.085 ! 
assign ((resid    46 and name      HA))   ((resid    46 and name      HN))      2.401 0.600 0.600 ! 
assign ((resid    46 and name     HB#))   ((resid    46 and name      HN))      2.976 2.976 0.744 ! 
assign ((resid    46 and name      HA))   ((resid    47 and name      HN))      2.668 0.667 0.667 ! 
assign ((resid    46 and name     HB#))   ((resid    47 and name      HN))      3.609 3.609 0.902 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      4.967 4.967 1.242 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      4.406 4.406 1.101 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.832 3.832 0.958 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.930 3.930 0.983 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      4.135 4.135 1.034 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      3.772 3.772 0.943 ! 
assign ((resid    46 and name     HB#))   ((resid    48 and name      HN))      4.092 4.092 1.023 ! 
assign ((resid    47 and name     HA*))   ((resid    47 and name      HN))      2.809 2.809 0.702 ! 
assign ((resid    47 and name     HA*))   ((resid    47 and name      HN))      2.358 2.358 0.590 ! 
assign ((resid    47 and name     HA*))   ((resid    48 and name      HN))      3.774 3.774 0.944 ! 
assign ((resid    47 and name     HA*))   ((resid    48 and name      HA))      4.937 4.937 1.234 ! 
assign ((resid    47 and name     HA*))   ((resid    48 and name      HN))      3.736 3.736 0.934 ! 
assign ((resid    48 and name      HA))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      3.904 3.904 0.976 ! 
assign ((resid    48 and name      HA))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      2.691 2.691 0.673 ! 
assign ((resid    48 and name      HA))   ((resid    48 and name      HN))      2.908 0.727 0.727 ! 
assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.717 3.717 0.929 ! 
assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    48 and name      HN))      2.501 2.501 0.625 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    48 and name      HA))      3.486 3.486 0.872 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    48 and name     HB1) or 
                                           (resid    48 and name     HB2))      2.888 2.888 0.722 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    48 and name      HA))      2.531 2.531 0.633 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    48 and name      HN))      3.099 3.099 0.775 ! 
assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    49 and name      HN))      3.265 3.265 0.816 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    49 and name      HN))      3.888 3.888 0.972 ! 
assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    50 and name     HD*))      3.294 3.294 0.824 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    50 and name     HD*))      4.773 4.773 1.193 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    50 and name     HD*))      4.141 4.141 1.035 ! 
assign ((resid    48 and name     HE1) or 
        (resid    48 and name     HE2))   ((resid    50 and name     HD*))      4.823 4.823 1.206 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    50 and name     HD*))      4.845 4.845 1.211 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    50 and name     HD*))      3.832 3.832 0.958 ! 
assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.979 4.979 1.245 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.346 4.346 1.087 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.191 4.191 1.048 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.105 4.105 1.026 ! 
assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.794 3.794 0.949 ! 
assign ((resid    48 and name     HE1) or 
        (resid    48 and name     HE2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.868 4.868 1.217 ! 
assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.431 4.431 1.108 ! 
assign ((resid    49 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      2.640 2.640 0.660 ! 
assign ((resid    49 and name     HB1) or 
        (resid    49 and name     HB2))   ((resid    49 and name      HN))      2.237 2.237 0.559 ! 
assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    49 and name      HA))      2.556 2.556 0.639 ! 
assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    49 and name      HN))      3.202 3.202 0.800 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name      HA))      4.571 1.143 1.143 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      4.423 4.423 1.106 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      4.055 4.055 1.014 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      3.994 3.994 0.999 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name      HG))      4.611 1.153 1.153 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name      HG))      4.522 1.131 1.131 ! 
assign ((resid    49 and name      HA))   ((resid    50 and name      HN))      2.052 0.513 0.513 ! 
assign ((resid    49 and name     HB1) or 
        (resid    49 and name     HB2))   ((resid    50 and name      HN))      3.543 3.543 0.886 ! 
assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    50 and name      HN))      3.192 3.192 0.798 ! 
assign ((resid    50 and name      HA))   ((resid    50 and name     HD*))      3.316 3.316 0.829 ! 
assign ((resid    50 and name      HA))   ((resid    50 and name     HD*))      2.079 2.079 0.520 ! 
assign ((resid    50 and name      HA))   ((resid    50 and name      HG))      3.975 0.994 0.994 ! 
assign ((resid    50 and name      HA))   ((resid    50 and name      HN))      3.334 0.834 0.834 ! 
assign ((resid    50 and name     HB1))   ((resid    50 and name     HD*))      2.478 2.478 0.620 ! 
assign ((resid    50 and name     HB1))   ((resid    50 and name     HD*))      2.750 2.750 0.688 ! 
assign ((resid    50 and name     HB1))   ((resid    50 and name      HN))      3.662 0.915 0.915 ! 
assign ((resid    50 and name     HB2))   ((resid    50 and name     HD*))      2.314 2.314 0.579 ! 
assign ((resid    50 and name     HB2))   ((resid    50 and name     HD*))      3.025 3.025 0.756 ! 
assign ((resid    50 and name     HB2))   ((resid    50 and name      HN))      2.889 0.722 0.722 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name      HA))      3.847 3.847 0.962 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name     HB1))      2.740 2.740 0.685 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name     HB2))      2.664 2.664 0.666 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name      HN))      3.625 3.625 0.906 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name      HA))      2.038 2.038 0.509 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name     HB1))      2.805 2.805 0.701 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name     HB2))      2.984 2.984 0.746 ! 
assign ((resid    50 and name     HD*))   ((resid    50 and name      HN))      3.332 3.332 0.833 ! 
assign ((resid    50 and name      HG))   ((resid    50 and name      HA))      3.584 0.896 0.896 ! 
assign ((resid    50 and name      HG))   ((resid    50 and name      HN))      2.685 0.671 0.671 ! 
assign ((resid    50 and name      HA))   ((resid    51 and name      HA))      4.757 1.189 1.189 ! 
assign ((resid    50 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.522 4.522 1.131 ! 
assign ((resid    50 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.155 4.155 1.039 ! 
assign ((resid    50 and name      HA))   ((resid    51 and name      HN))      2.274 0.569 0.569 ! 
assign ((resid    50 and name     HB1))   ((resid    51 and name      HN))      3.564 0.891 0.891 ! 
assign ((resid    50 and name     HD*))   ((resid    51 and name      HN))      3.637 3.637 0.909 ! 
assign ((resid    50 and name     HD*))   ((resid    56 and name      HA))      4.461 4.461 1.115 ! 
assign ((resid    50 and name     HD*))   ((resid    56 and name     HD*))      4.255 4.255 1.064 ! 
assign ((resid    50 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.430 3.430 0.858 ! 
assign ((resid    50 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.301 3.301 0.825 ! 
assign ((resid    50 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.888 4.888 1.222 ! 
assign ((resid    50 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.710 3.710 0.927 ! 
assign ((resid    50 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.383 3.383 0.846 ! 
assign ((resid    50 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.231 4.231 1.058 ! 
assign ((resid    50 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.312 4.312 1.078 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      4.708 4.708 1.177 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.244 4.244 1.061 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.208 4.208 1.052 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.078 4.078 1.020 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.315 4.315 1.079 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name      HA))      4.984 4.984 1.246 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name      HA))      4.752 4.752 1.188 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      3.672 3.672 0.918 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      3.531 3.531 0.883 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HB2))      4.208 4.208 1.052 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HB2))      3.871 3.871 0.968 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.151 3.151 0.788 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.115 3.115 0.779 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.967 2.967 0.742 ! 
assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.877 2.877 0.719 ! 
assign ((resid    50 and name     HB2))   ((resid    61 and name    HD1#))      4.860 4.860 1.215 ! 
assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.322 2.322 0.581 ! 
assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.412 2.412 0.603 ! 
assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.599 2.599 0.650 ! 
assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.665 2.665 0.666 ! 
assign ((resid    50 and name      HG))   ((resid    61 and name    HD1#))      4.271 4.271 1.068 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.498 4.498 1.125 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      3.957 3.957 0.989 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name      HG))      4.013 4.013 1.003 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name      HG))      3.779 3.779 0.945 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.678 3.678 0.919 ! 
assign ((resid    50 and name     HD*))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.339 3.339 0.835 ! 
assign ((resid    51 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      3.004 3.004 0.751 ! 
assign ((resid    51 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      3.096 3.096 0.774 ! 
assign ((resid    51 and name      HA))   ((resid    51 and name      HN))      3.065 0.766 0.766 ! 
assign ((resid    51 and name     HB1))   ((resid    51 and name      HN))      3.454 0.864 0.864 ! 
assign ((resid    51 and name     HB2))   ((resid    51 and name      HN))      2.821 0.705 0.705 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    51 and name      HA))      2.564 2.564 0.641 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    51 and name      HN))      3.355 3.355 0.839 ! 
assign ((resid    51 and name      HA))   ((resid    52 and name      HN))      1.875 0.469 0.469 ! 
assign ((resid    51 and name     HB1))   ((resid    52 and name      HN))      3.145 0.786 0.786 ! 
assign ((resid    51 and name     HB2))   ((resid    52 and name      HN))      4.057 1.014 1.014 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    52 and name      HN))      4.405 4.405 1.101 ! 
assign ((resid    51 and name     HB1))   ((resid    53 and name     HA*))      4.970 4.970 1.242 ! 
assign ((resid    51 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.838 4.838 1.210 ! 
assign ((resid    51 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.241 4.241 1.060 ! 
assign ((resid    51 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.547 4.547 1.137 ! 
assign ((resid    51 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.033 4.033 1.008 ! 
assign ((resid    51 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.013 4.013 1.003 ! 
assign ((resid    51 and name     HB2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.453 3.453 0.863 ! 
assign ((resid    51 and name     HB2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.280 3.280 0.820 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.870 4.870 1.218 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.691 4.691 1.173 ! 
assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.881 4.881 1.220 ! 
assign ((resid    51 and name      HN))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.171 3.171 0.793 ! 
assign ((resid    51 and name     HB1) or 
        (resid    62 and name     HB1))   ((resid    67 and name      HG) or 
                                           (resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      4.967 4.967 1.242 ! 
assign ((resid    52 and name      HA))   ((resid    52 and name      HN))      2.861 0.715 0.715 ! 
assign ((resid    52 and name     HB1))   ((resid    52 and name      HN))      3.186 0.796 0.796 ! 
assign ((resid    52 and name     HB2))   ((resid    52 and name      HN))      2.532 0.633 0.633 ! 
assign ((resid    52 and name      HA))   ((resid    54 and name      HN))      4.050 1.012 1.012 ! 
assign ((resid    53 and name     HA*))   ((resid    54 and name      HA))      4.820 4.820 1.205 ! 
assign ((resid    53 and name     HA*))   ((resid    54 and name      HN))      3.917 3.917 0.979 ! 
assign ((resid    53 and name     HA*))   ((resid    54 and name      HN))      3.704 3.704 0.926 ! 
assign ((resid    54 and name      HA))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.309 3.309 0.827 ! 
assign ((resid    54 and name      HA))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.339 3.339 0.835 ! 
assign ((resid    54 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.242 3.242 0.810 ! 
assign ((resid    54 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      2.909 2.909 0.727 ! 
assign ((resid    54 and name      HA))   ((resid    54 and name      HN))      3.099 0.775 0.775 ! 
assign ((resid    54 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.612 3.612 0.903 ! 
assign ((resid    54 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.816 3.816 0.954 ! 
assign ((resid    54 and name     HB1))   ((resid    54 and name      HN))      3.469 0.867 0.867 ! 
assign ((resid    54 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.794 3.794 0.949 ! 
assign ((resid    54 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.758 3.758 0.940 ! 
assign ((resid    54 and name     HB2))   ((resid    54 and name      HN))      2.776 0.694 0.694 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name      HA))      2.907 2.907 0.727 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name     HB1))      3.435 3.435 0.859 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name     HB2))      3.430 3.430 0.858 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HA))      3.169 3.169 0.792 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HA))      2.761 2.761 0.690 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HN))      3.391 3.391 0.848 ! 
assign ((resid    54 and name      HA))   ((resid    55 and name      HA))      4.723 1.181 1.181 ! 
assign ((resid    54 and name      HA))   ((resid    55 and name    HG2#))      3.426 3.426 0.857 ! 
assign ((resid    54 and name      HA))   ((resid    55 and name    HG2#))      3.430 3.430 0.858 ! 
assign ((resid    54 and name      HA))   ((resid    55 and name      HN))      2.411 0.603 0.603 ! 
assign ((resid    54 and name     HB1))   ((resid    55 and name      HN))      2.755 0.689 0.689 ! 
assign ((resid    54 and name     HB2))   ((resid    55 and name      HN))      3.557 0.889 0.889 ! 
assign ((resid    54 and name      HA))   ((resid    58 and name     HB1))      4.835 1.209 1.209 ! 
assign ((resid    54 and name      HA))   ((resid    58 and name     HB2))      4.515 1.129 1.129 ! 
assign ((resid    54 and name      HA))   ((resid    58 and name     HB2))      4.676 1.169 1.169 ! 
assign ((resid    54 and name     HB1))   ((resid    58 and name     HB1))      4.202 1.050 1.050 ! 
assign ((resid    54 and name     HB1))   ((resid    58 and name     HB1))      3.476 0.869 0.869 ! 
assign ((resid    54 and name     HB1))   ((resid    58 and name     HB2))      3.635 0.909 0.909 ! 
assign ((resid    54 and name     HB1))   ((resid    58 and name     HB2))      3.225 0.806 0.806 ! 
assign ((resid    54 and name     HB2))   ((resid    58 and name     HB1))      4.119 1.030 1.030 ! 
assign ((resid    54 and name     HB2))   ((resid    58 and name     HB1))      4.477 1.119 1.119 ! 
assign ((resid    54 and name     HB2))   ((resid    58 and name     HB2))      3.758 0.940 0.940 ! 
assign ((resid    54 and name     HB2))   ((resid    58 and name     HB2))      4.004 1.001 1.001 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      4.531 4.531 1.133 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      4.249 4.249 1.062 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      3.824 3.824 0.956 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    58 and name     HB2))      4.157 4.157 1.039 ! 
assign ((resid    54 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.547 4.547 1.137 ! 
assign ((resid    54 and name     HB1) or 
        (resid    63 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.590 4.590 1.147 ! 
assign ((resid    54 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.864 2.864 0.716 ! 
assign ((resid    54 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.958 2.958 0.740 ! 
assign ((resid    54 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.881 4.881 1.220 ! 
assign ((resid    54 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.416 4.416 1.104 ! 
assign ((resid    54 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.720 2.720 0.680 ! 
assign ((resid    54 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.551 2.551 0.638 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.195 4.195 1.049 ! 
assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.635 3.635 0.909 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.641 3.641 0.910 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.180 4.180 1.045 ! 
assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.113 4.113 1.028 ! 
assign ((resid    55 and name      HA))   ((resid    55 and name    HG2#))      2.220 2.220 0.555 ! 
assign ((resid    55 and name      HA))   ((resid    55 and name      HN))      3.383 0.846 0.846 ! 
assign ((resid    55 and name      HB))   ((resid    55 and name      HN))      4.234 1.058 1.058 ! 
assign ((resid    55 and name    HG2#))   ((resid    55 and name      HA))      2.200 2.200 0.550 ! 
assign ((resid    55 and name    HG2#))   ((resid    55 and name      HN))      2.592 2.592 0.648 ! 
assign ((resid    55 and name      HA))   ((resid    56 and name      HN))      2.348 0.587 0.587 ! 
assign ((resid    55 and name      HB))   ((resid    56 and name     HB2))      4.474 1.119 1.119 ! 
assign ((resid    55 and name      HB))   ((resid    56 and name      HN))      2.449 0.612 0.612 ! 
assign ((resid    55 and name    HG2#))   ((resid    56 and name      HN))      3.502 3.502 0.875 ! 
assign ((resid    55 and name      HA))   ((resid    57 and name      HN))      4.345 1.086 1.086 ! 
assign ((resid    55 and name      HB))   ((resid    57 and name     HB*))      4.043 4.043 1.011 ! 
assign ((resid    55 and name      HB))   ((resid    57 and name     HB*))      4.858 4.858 1.214 ! 
assign ((resid    55 and name      HB))   ((resid    57 and name      HN))      2.913 0.728 0.728 ! 
assign ((resid    55 and name    HG2#))   ((resid    57 and name     HB*))      4.918 4.918 1.230 ! 
assign ((resid    55 and name    HG2#))   ((resid    57 and name      HN))      3.990 3.990 0.998 ! 
assign ((resid    55 and name      HN))   ((resid    58 and name     HB1))      3.866 0.967 0.967 ! 
assign ((resid    55 and name      HN))   ((resid    58 and name     HB2))      3.043 0.761 0.761 ! 
assign ((resid    56 and name      HA))   ((resid    56 and name     HD*))      3.276 3.276 0.819 ! 
assign ((resid    56 and name      HA))   ((resid    56 and name     HD*))      2.182 2.182 0.545 ! 
assign ((resid    56 and name      HA))   ((resid    56 and name      HG))      3.717 0.929 0.929 ! 
assign ((resid    56 and name      HA))   ((resid    56 and name      HN))      3.151 0.788 0.788 ! 
assign ((resid    56 and name     HB1))   ((resid    56 and name     HD*))      2.569 2.569 0.642 ! 
assign ((resid    56 and name     HB1))   ((resid    56 and name     HD*))      2.694 2.694 0.673 ! 
assign ((resid    56 and name     HB1))   ((resid    56 and name      HN))      3.450 0.863 0.863 ! 
assign ((resid    56 and name     HB2))   ((resid    56 and name     HD*))      2.454 2.454 0.614 ! 
assign ((resid    56 and name     HB2))   ((resid    56 and name     HD*))      3.181 3.181 0.795 ! 
assign ((resid    56 and name     HB2))   ((resid    56 and name      HN))      2.792 0.698 0.698 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name      HA))      3.913 3.913 0.978 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name     HB1))      2.768 2.768 0.692 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name     HB2))      2.664 2.664 0.666 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name      HA))      2.083 2.083 0.521 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name     HB1))      2.712 2.712 0.678 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name     HB2))      3.023 3.023 0.756 ! 
assign ((resid    56 and name     HD*))   ((resid    56 and name      HN))      3.489 3.489 0.872 ! 
assign ((resid    56 and name      HG))   ((resid    56 and name      HA))      3.491 0.873 0.873 ! 
assign ((resid    56 and name      HG))   ((resid    56 and name      HN))      2.691 0.673 0.673 ! 
assign ((resid    56 and name      HA))   ((resid    57 and name      HN))      3.941 0.985 0.985 ! 
assign ((resid    56 and name     HB1))   ((resid    57 and name      HN))      3.653 0.913 0.913 ! 
assign ((resid    56 and name     HB2))   ((resid    57 and name      HN))      2.884 0.721 0.721 ! 
assign ((resid    56 and name      HA))   ((resid    58 and name      HN))      4.416 1.104 1.104 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name     HB1))      4.237 1.059 1.059 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name     HB2))      3.871 0.968 0.968 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name     HB2))      3.913 0.978 0.978 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.312 3.312 0.828 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.371 3.371 0.843 ! 
assign ((resid    56 and name      HA))   ((resid    59 and name      HN))      3.888 0.972 0.972 ! 
assign ((resid    56 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.472 4.472 1.118 ! 
assign ((resid    56 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.503 4.503 1.126 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name      HB))      3.273 0.818 0.818 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name      HB))      3.305 0.826 0.826 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HD1#))      2.536 2.536 0.634 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HD1#))      2.687 2.687 0.672 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.371 4.371 1.093 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.194 4.194 1.048 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.990 4.990 1.248 ! 
assign ((resid    56 and name      HA))   ((resid    61 and name    HG2#))      3.975 3.975 0.994 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name      HB))      2.800 0.700 0.700 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name      HB))      2.691 0.673 0.673 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name    HD1#))      3.717 3.717 0.929 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name    HD1#))      3.737 3.737 0.934 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name    HG2#))      3.232 3.232 0.808 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name    HG2#))      3.184 3.184 0.796 ! 
assign ((resid    56 and name     HB1))   ((resid    61 and name      HN))      4.279 1.070 1.070 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name      HB))      3.379 0.845 0.845 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name      HB))      3.481 0.870 0.870 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name    HD1#))      4.416 4.416 1.104 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name    HD1#))      4.615 4.615 1.154 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name    HG2#))      3.930 3.930 0.983 ! 
assign ((resid    56 and name     HB2))   ((resid    61 and name    HG2#))      4.053 4.053 1.013 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      4.083 4.083 1.021 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.975 3.975 0.994 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      3.744 3.744 0.936 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      3.922 3.922 0.981 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      3.033 3.033 0.758 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      3.166 3.166 0.791 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.166 3.166 0.791 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.104 3.104 0.776 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      2.236 2.236 0.559 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      2.257 2.257 0.564 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.066 4.066 1.016 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.528 4.528 1.132 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.540 4.540 1.135 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      2.482 2.482 0.621 ! 
assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      2.397 2.397 0.599 ! 
assign ((resid    56 and name      HG))   ((resid    61 and name    HD1#))      4.806 4.806 1.202 ! 
assign ((resid    56 and name      HG))   ((resid    61 and name    HG2#))      4.336 4.336 1.084 ! 
assign ((resid    57 and name      HA))   ((resid    57 and name      HN))      2.755 0.689 0.689 ! 
assign ((resid    57 and name     HB*) or 
        (resid    57 and name     HB*))   ((resid    57 and name      HN))      2.614 2.614 0.653 ! 
assign ((resid    57 and name     HB*) or 
        (resid    57 and name     HB*))   ((resid    58 and name      HN))      3.403 3.403 0.851 ! 
assign ((resid    57 and name      HA))   ((resid    59 and name      HN))      4.092 1.023 1.023 ! 
assign ((resid    57 and name      HA))   ((resid    60 and name      HA))      3.106 0.776 0.776 ! 
assign ((resid    57 and name      HA))   ((resid    60 and name      HN))      3.109 0.777 0.777 ! 
assign ((resid    57 and name      HA))   ((resid    61 and name      HN))      3.498 0.875 0.875 ! 
assign ((resid    58 and name      HA))   ((resid    58 and name      HN))      2.790 0.698 0.698 ! 
assign ((resid    58 and name     HB1))   ((resid    58 and name      HN))      3.149 0.787 0.787 ! 
assign ((resid    58 and name     HB2))   ((resid    58 and name      HN))      2.501 0.625 0.625 ! 
assign ((resid    58 and name      HA))   ((resid    59 and name      HN))      3.713 0.928 0.928 ! 
assign ((resid    58 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.764 4.764 1.191 ! 
assign ((resid    58 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.808 4.808 1.202 ! 
assign ((resid    58 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.792 4.792 1.198 ! 
assign ((resid    58 and name     HB1))   ((resid    59 and name      HN))      3.866 0.967 0.967 ! 
assign ((resid    58 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.592 4.592 1.148 ! 
assign ((resid    58 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.498 4.498 1.125 ! 
assign ((resid    58 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.606 4.606 1.151 ! 
assign ((resid    58 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.843 4.843 1.211 ! 
assign ((resid    58 and name     HB2))   ((resid    59 and name      HN))      3.543 0.886 0.886 ! 
assign ((resid    58 and name      HA))   ((resid    60 and name      HN))      4.448 1.112 1.112 ! 
assign ((resid    59 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.491 2.491 0.623 ! 
assign ((resid    59 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.975 3.975 0.994 ! 
assign ((resid    59 and name      HA))   ((resid    59 and name      HN))      3.019 0.755 0.755 ! 
assign ((resid    59 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.719 2.719 0.680 ! 
assign ((resid    59 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.293 4.293 1.073 ! 
assign ((resid    59 and name     HB1))   ((resid    59 and name      HN))      3.361 0.840 0.840 ! 
assign ((resid    59 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.646 2.646 0.661 ! 
assign ((resid    59 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.213 4.213 1.053 ! 
assign ((resid    59 and name     HB2))   ((resid    59 and name      HN))      2.694 0.673 0.673 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name      HA))      2.332 2.332 0.583 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name     HB1))      2.573 2.573 0.643 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name     HB2))      2.603 2.603 0.651 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name      HN))      3.215 3.215 0.804 ! 
assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name      HA))      3.758 3.758 0.940 ! 
assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name     HB1))      4.261 4.261 1.065 ! 
assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name     HB2))      4.325 4.325 1.081 ! 
assign ((resid    59 and name      HA))   ((resid    60 and name     HB*))      4.787 4.787 1.197 ! 
assign ((resid    59 and name      HA))   ((resid    60 and name     HB*))      4.649 4.649 1.162 ! 
assign ((resid    59 and name      HA))   ((resid    60 and name      HN))      3.342 0.836 0.836 ! 
assign ((resid    59 and name     HB2))   ((resid    60 and name      HN))      4.427 1.107 1.107 ! 
assign ((resid    59 and name      HN))   ((resid    60 and name      HA))      3.798 0.950 0.950 ! 
assign ((resid    59 and name      HA))   ((resid    61 and name    HD1#))      4.189 4.189 1.047 ! 
assign ((resid    59 and name      HA))   ((resid    61 and name    HD1#))      4.653 4.653 1.163 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HD1#))      2.787 2.787 0.697 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HD1#))      3.060 3.060 0.765 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.363 3.363 0.841 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.395 4.395 1.099 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.206 3.206 0.801 ! 
assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.975 3.975 0.994 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name      HA))      4.999 1.250 1.250 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name      HB))      4.741 1.185 1.185 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name      HB))      4.594 1.149 1.149 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HD1#))      2.693 2.693 0.673 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HD1#))      2.801 2.801 0.700 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.219 3.219 0.805 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.004 4.004 1.001 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.157 3.157 0.789 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.055 4.055 1.014 ! 
assign ((resid    59 and name     HB2))   ((resid    61 and name    HG2#))      4.348 4.348 1.087 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HD1#))      3.363 3.363 0.841 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HD1#))      3.435 3.435 0.859 ! 
assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.868 4.868 1.217 ! 
assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    61 and name    HD1#))      4.868 4.868 1.217 ! 
assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    61 and name    HD1#))      4.583 4.583 1.146 ! 
assign ((resid    59 and name      HN))   ((resid    61 and name    HD1#))      4.437 4.437 1.109 ! 
assign ((resid    60 and name      HA))   ((resid    60 and name      HN))      1.939 0.485 0.485 ! 
assign ((resid    60 and name     HB*))   ((resid    60 and name    HD21))      4.004 4.004 1.001 ! 
assign ((resid    60 and name     HB*))   ((resid    60 and name      HN))      3.209 3.209 0.802 ! 

assign ((resid    60 and name     HB*))   ((resid    60 and name    HD21))      3.520 3.520 0.880 ! 
assign ((resid    60 and name     HB*))   ((resid    60 and name    HD22))      3.794 3.794 0.949 ! 
assign ((resid    60 and name     HB*))   ((resid    60 and name      HN))      3.750 3.750 0.938 ! 
assign ((resid    60 and name      HA))   ((resid    61 and name      HA))      4.979 1.245 1.245 ! 
assign ((resid    60 and name      HA))   ((resid    61 and name      HN))      2.657 0.664 0.664 ! 
assign ((resid    60 and name      HA))   ((resid    62 and name     HG1) or 
                                           (resid    62 and name     HG2))      4.403 4.403 1.101 ! 
assign ((resid    61 and name      HA))   ((resid    61 and name    HD1#))      3.458 3.458 0.865 ! 
assign ((resid    61 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      2.771 2.771 0.693 ! 
assign ((resid    61 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      2.813 2.813 0.703 ! 
assign ((resid    61 and name      HA))   ((resid    61 and name    HG2#))      2.373 2.373 0.593 ! 
assign ((resid    61 and name      HA))   ((resid    61 and name      HN))      3.113 0.778 0.778 ! 
assign ((resid    61 and name      HB))   ((resid    61 and name    HD1#))      2.569 2.569 0.642 ! 
assign ((resid    61 and name      HB))   ((resid    61 and name      HN))      2.358 0.590 0.590 ! 
assign ((resid    61 and name    HD1#))   ((resid    61 and name      HA))      3.057 3.057 0.764 ! 
assign ((resid    61 and name    HD1#))   ((resid    61 and name      HB))      2.467 2.467 0.617 ! 
assign ((resid    61 and name    HD1#))   ((resid    61 and name      HN))      3.587 3.587 0.897 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HA))      2.778 2.778 0.695 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HA))      2.565 2.565 0.641 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HN))      3.750 3.750 0.938 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HN))      3.000 3.000 0.750 ! 
assign ((resid    61 and name    HG2#))   ((resid    61 and name      HA))      2.246 2.246 0.561 ! 
assign ((resid    61 and name    HG2#))   ((resid    61 and name      HN))      3.525 3.525 0.881 ! 
assign ((resid    61 and name      HA))   ((resid    62 and name      HA))      4.732 1.183 1.183 ! 
assign ((resid    61 and name      HA))   ((resid    62 and name      HA))      4.398 1.099 1.099 ! 
assign ((resid    61 and name      HA))   ((resid    62 and name      HN))      2.045 0.511 0.511 ! 
assign ((resid    61 and name    HG2#))   ((resid    62 and name      HA))      3.717 3.717 0.929 ! 
assign ((resid    61 and name    HG2#))   ((resid    62 and name      HA))      3.922 3.922 0.981 ! 
assign ((resid    61 and name    HG2#))   ((resid    62 and name      HN))      2.808 2.808 0.702 ! 
assign ((resid    61 and name    HG2#))   ((resid    63 and name      HA))      4.430 4.430 1.107 ! 
assign ((resid    61 and name    HG2#))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.286 4.286 1.071 ! 
assign ((resid    61 and name      HA))   ((resid    65 and name     HB1))      4.745 1.186 1.186 ! 
assign ((resid    61 and name      HA))   ((resid    65 and name     HB1))      4.670 1.167 1.167 ! 
assign ((resid    61 and name      HA))   ((resid    65 and name     HB2))      4.838 1.210 1.210 ! 
assign ((resid    61 and name    HD1#))   ((resid    65 and name     HB2))      4.717 4.717 1.179 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name      HA))      4.389 4.389 1.097 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB1))      2.667 2.667 0.667 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB1))      2.713 2.713 0.678 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB2))      2.400 2.400 0.600 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB2))      2.454 2.454 0.614 ! 
assign ((resid    61 and name    HG2#))   ((resid    65 and name      HN))      3.877 3.877 0.969 ! 
assign ((resid    61 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.205 4.205 1.051 ! 
assign ((resid    61 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.500 4.500 1.125 ! 
assign ((resid    61 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.503 4.503 1.126 ! 
assign ((resid    61 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.342 2.342 0.586 ! 
assign ((resid    61 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.182 2.182 0.545 ! 
assign ((resid    61 and name    HD1#))   ((resid    67 and name      HG))      3.939 3.939 0.985 ! 
assign ((resid    61 and name    HD1#))   ((resid    67 and name      HG))      3.957 3.957 0.989 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.013 4.013 1.003 ! 
assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.062 4.062 1.016 ! 
assign ((resid    61 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.483 2.483 0.621 ! 
assign ((resid    61 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.200 2.200 0.550 ! 
assign ((resid    62 and name      HA))   ((resid    62 and name     HG1) or 
                                           (resid    62 and name     HG2))      3.018 3.018 0.754 ! 
assign ((resid    62 and name      HA))   ((resid    62 and name      HN))      3.045 0.761 0.761 ! 
assign ((resid    62 and name     HB1))   ((resid    62 and name      HN))      3.482 0.871 0.871 ! 
assign ((resid    62 and name     HB2))   ((resid    62 and name      HN))      2.814 0.704 0.704 ! 
assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    62 and name    HE21))      3.710 3.710 0.927 ! 
assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    62 and name      HN))      3.010 3.010 0.752 ! 
assign ((resid    62 and name      HA))   ((resid    63 and name      HA))      4.013 1.003 1.003 ! 
assign ((resid    62 and name      HA))   ((resid    63 and name      HA))      4.368 1.092 1.092 ! 
assign ((resid    62 and name      HA))   ((resid    63 and name      HN))      2.285 0.571 0.571 ! 
assign ((resid    62 and name     HB1))   ((resid    63 and name      HN))      2.517 0.629 0.629 ! 
assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    63 and name      HN))      3.426 3.426 0.857 ! 
assign ((resid    63 and name      HA))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      3.994 3.994 0.999 ! 
assign ((resid    63 and name      HA))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      4.818 4.818 1.204 ! 
assign ((resid    63 and name      HA))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      3.824 3.824 0.956 ! 
assign ((resid    63 and name      HA))   ((resid    63 and name      HN))      2.687 0.672 0.672 ! 
assign ((resid    63 and name     HB1))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      2.657 2.657 0.664 ! 
assign ((resid    63 and name     HB1))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      4.051 4.051 1.013 ! 
assign ((resid    63 and name     HB1))   ((resid    63 and name      HN))      2.675 0.669 0.669 ! 
assign ((resid    63 and name     HB2))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      2.740 2.740 0.685 ! 
assign ((resid    63 and name     HB2))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      3.801 3.801 0.950 ! 
assign ((resid    63 and name     HB2))   ((resid    63 and name      HN))      2.957 0.739 0.739 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    63 and name      HA))      3.691 3.691 0.923 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    63 and name      HN))      3.594 3.594 0.898 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HB1))      4.013 4.013 1.003 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      2.905 2.905 0.726 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      2.944 2.944 0.736 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name      HA))      3.101 3.101 0.775 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      2.314 2.314 0.579 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name      HN))      2.773 2.773 0.693 ! 
assign ((resid    63 and name      HA))   ((resid    64 and name      HA))      3.567 0.892 0.892 ! 
assign ((resid    63 and name      HA))   ((resid    64 and name      HA))      3.751 0.938 0.938 ! 
assign ((resid    63 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.736 4.736 1.184 ! 
assign ((resid    63 and name      HA))   ((resid    64 and name      HN))      2.011 0.503 0.503 ! 
assign ((resid    63 and name     HB1))   ((resid    64 and name     HB2))      4.699 1.175 1.175 ! 
assign ((resid    63 and name     HB1))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.338 4.338 1.085 ! 
assign ((resid    63 and name     HB1))   ((resid    64 and name      HN))      4.270 1.067 1.067 ! 
assign ((resid    63 and name     HB2))   ((resid    64 and name     HB2))      4.423 1.106 1.106 ! 
assign ((resid    63 and name     HB2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.246 4.246 1.062 ! 
assign ((resid    63 and name     HB2))   ((resid    64 and name      HN))      3.383 0.846 0.846 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.135 4.135 1.034 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.195 4.195 1.049 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.323 4.323 1.081 ! 
assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2) or 
        (resid    67 and name      HG))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.371 4.371 1.093 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.484 4.484 1.121 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.627 4.627 1.157 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.773 4.773 1.193 ! 
assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.828 4.828 1.207 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB1))      4.177 4.177 1.044 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB2))      4.330 4.330 1.083 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB2))      4.641 4.641 1.160 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.966 3.966 0.992 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.641 3.641 0.910 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.660 3.660 0.915 ! 
assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name      HN))      4.160 4.160 1.040 ! 
assign ((resid    63 and name      HA))   ((resid    65 and name      HN))      3.361 0.840 0.840 ! 
assign ((resid    64 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.045 3.045 0.761 ! 
assign ((resid    64 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.025 3.025 0.756 ! 
assign ((resid    64 and name      HA))   ((resid    64 and name      HN))      2.353 0.588 0.588 ! 
assign ((resid    64 and name     HB1))   ((resid    64 and name      HN))      4.252 1.063 1.063 ! 
assign ((resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HA))      2.921 2.921 0.730 ! 
assign ((resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HA))      2.816 2.816 0.704 ! 
assign ((resid    64 and name      HA))   ((resid    65 and name      HN))      3.233 0.808 0.808 ! 
assign ((resid    65 and name      HA))   ((resid    65 and name      HN))      2.966 0.742 0.742 ! 
assign ((resid    65 and name     HB1))   ((resid    65 and name      HN))      3.350 0.838 0.838 ! 
assign ((resid    65 and name     HB2))   ((resid    65 and name      HN))      2.657 0.664 0.664 ! 
assign ((resid    65 and name      HA))   ((resid    66 and name      HB))      4.894 1.224 1.224 ! 
assign ((resid    65 and name      HA))   ((resid    66 and name      HB))      4.613 1.153 1.153 ! 
assign ((resid    65 and name      HA))   ((resid    66 and name      HN))      2.125 0.531 0.531 ! 
assign ((resid    65 and name     HB1))   ((resid    66 and name      HN))      3.052 0.763 0.763 ! 
assign ((resid    65 and name     HB2))   ((resid    66 and name      HN))      3.764 0.941 0.941 ! 
assign ((resid    65 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.606 4.606 1.151 ! 
assign ((resid    65 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.557 3.557 0.889 ! 
assign ((resid    65 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.343 3.343 0.836 ! 
assign ((resid    65 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.737 3.737 0.934 ! 
assign ((resid    65 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.375 3.375 0.844 ! 
assign ((resid    66 and name      HA))   ((resid    66 and name    HG2#))      2.163 2.163 0.541 ! 
assign ((resid    66 and name      HA))   ((resid    66 and name      HN))      3.309 0.827 0.827 ! 
assign ((resid    66 and name      HB))   ((resid    66 and name      HN))      2.501 0.625 0.625 ! 
assign ((resid    66 and name    HG2#))   ((resid    66 and name      HA))      2.129 2.129 0.532 ! 
assign ((resid    66 and name    HG2#))   ((resid    66 and name      HN))      3.687 3.687 0.922 ! 
assign ((resid    66 and name      HA))   ((resid    67 and name      HA))      4.855 1.214 1.214 ! 
assign ((resid    66 and name      HA))   ((resid    67 and name      HA))      4.865 1.216 1.216 ! 
assign ((resid    66 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.050 4.050 1.012 ! 
assign ((resid    66 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.737 3.737 0.934 ! 
assign ((resid    66 and name      HA))   ((resid    67 and name      HN))      2.147 0.537 0.537 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.496 3.496 0.874 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.578 3.578 0.894 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.894 4.894 1.224 ! 
assign ((resid    66 and name    HG2#))   ((resid    67 and name      HN))      2.858 2.858 0.715 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HB1))      4.313 4.313 1.078 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HE1))      3.948 3.948 0.987 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HE1))      3.871 3.871 0.968 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    70 and name      HA))      2.542 2.542 0.635 ! 
assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    70 and name      HA))      2.332 2.332 0.583 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.614 2.614 0.653 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    67 and name      HG))      2.927 2.927 0.732 ! 
assign ((resid    67 and name      HA))   ((resid    67 and name      HN))      3.369 0.842 0.842 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#) or 
                                           (resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.375 2.375 0.594 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    67 and name      HN))      2.815 2.815 0.704 ! 
assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      2.400 2.400 0.600 ! 
assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.554 2.554 0.638 ! 
assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name      HN))      3.355 3.355 0.839 ! 
assign ((resid    67 and name      HG))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      2.854 2.854 0.714 ! 
assign ((resid    67 and name      HG))   ((resid    67 and name      HN))      3.575 0.894 0.894 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    68 and name     HE1))      4.130 4.130 1.032 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    68 and name     HE1))      4.148 4.148 1.037 ! 
assign ((resid    67 and name      HA))   ((resid    68 and name      HN))      2.274 0.569 0.569 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    68 and name      HN))      2.823 2.823 0.706 ! 
assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    68 and name      HN))      3.990 3.990 0.998 ! 
assign ((resid    67 and name      HG))   ((resid    68 and name      HN))      4.448 1.112 1.112 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.196 2.196 0.549 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.172 2.172 0.543 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.675 2.675 0.669 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.435 2.435 0.609 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name      HN))      2.706 2.706 0.676 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    70 and name      HA))      4.225 4.225 1.056 ! 
assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    70 and name      HN))      4.448 4.448 1.112 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.316 3.316 0.829 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.435 3.435 0.859 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    71 and name      HG))      3.486 3.486 0.872 ! 
assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    71 and name      HG))      3.294 3.294 0.824 ! 
assign ((resid    68 and name      HA))   ((resid    68 and name     HE1))      4.934 1.234 1.234 ! 
assign ((resid    68 and name      HA))   ((resid    68 and name      HN))      3.286 0.822 0.822 ! 
assign ((resid    68 and name     HB1))   ((resid    68 and name     HE1))      4.615 1.154 1.154 ! 
assign ((resid    68 and name     HB1))   ((resid    68 and name      HN))      3.498 0.875 0.875 ! 
assign ((resid    68 and name     HB2))   ((resid    68 and name     HE1))      4.232 1.058 1.058 ! 
assign ((resid    68 and name     HB2))   ((resid    68 and name      HN))      2.885 0.721 0.721 ! 
assign ((resid    68 and name     HE1))   ((resid    68 and name      HA))      4.329 1.082 1.082 ! 
assign ((resid    68 and name     HE1))   ((resid    68 and name     HB1))      4.481 1.120 1.120 ! 
assign ((resid    68 and name     HE1))   ((resid    68 and name     HB2))      4.340 1.085 1.085 ! 
assign ((resid    68 and name     HE1))   ((resid    68 and name      HN))      4.160 1.040 1.040 ! 
assign ((resid    68 and name      HA))   ((resid    69 and name      HN))      2.117 0.529 0.529 ! 
assign ((resid    68 and name     HB1))   ((resid    69 and name      HN))      3.546 0.886 0.886 ! 
assign ((resid    68 and name     HB1))   ((resid    70 and name    HG2#))      4.050 4.050 1.012 ! 
assign ((resid    68 and name     HB1))   ((resid    70 and name    HG2#))      4.050 4.050 1.012 ! 
assign ((resid    69 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.268 2.268 0.567 ! 
assign ((resid    69 and name      HA))   ((resid    69 and name      HG))      3.193 0.798 0.798 ! 
assign ((resid    69 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.773 2.773 0.693 ! 
assign ((resid    69 and name     HB2))   ((resid    69 and name      HN))      3.117 0.779 0.779 ! 
assign ((resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    69 and name      HA))      3.163 3.163 0.791 ! 
assign ((resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    69 and name     HB2))      2.556 2.556 0.639 ! 
assign ((resid    69 and name      HG))   ((resid    69 and name      HA))      3.104 0.776 0.776 ! 
assign ((resid    69 and name      HA))   ((resid    70 and name      HA))      4.484 1.121 1.121 ! 
assign ((resid    69 and name      HA))   ((resid    70 and name    HG2#))      3.913 3.913 0.978 ! 
assign ((resid    69 and name      HA))   ((resid    70 and name    HG2#))      3.824 3.824 0.956 ! 
assign ((resid    69 and name      HA))   ((resid    70 and name      HN))      2.083 0.521 0.521 ! 
assign ((resid    69 and name     HB2))   ((resid    70 and name      HA))      4.939 1.235 1.235 ! 
assign ((resid    69 and name     HB2))   ((resid    70 and name      HN))      4.217 1.054 1.054 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.959 4.959 1.240 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.263 4.263 1.066 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.325 4.325 1.081 ! 
assign ((resid    69 and name      HG))   ((resid    70 and name      HA))      4.135 1.034 1.034 ! 
assign ((resid    69 and name      HG))   ((resid    70 and name      HA))      4.277 1.069 1.069 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.035 3.035 0.759 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.200 3.200 0.800 ! 
assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.115 3.115 0.779 ! 
assign ((resid    70 and name      HA))   ((resid    70 and name    HG2#))      2.473 2.473 0.618 ! 
assign ((resid    70 and name      HA))   ((resid    70 and name      HN))      3.122 0.780 0.780 ! 
assign ((resid    70 and name      HB))   ((resid    70 and name      HN))      3.070 0.767 0.767 ! 
assign ((resid    70 and name    HG2#))   ((resid    70 and name      HA))      2.331 2.331 0.583 ! 
assign ((resid    70 and name    HG2#))   ((resid    70 and name      HN))      2.932 2.932 0.733 ! 
assign ((resid    70 and name      HA))   ((resid    71 and name      HG))      4.385 1.096 1.096 ! 
assign ((resid    70 and name      HA))   ((resid    71 and name      HG))      4.151 1.038 1.038 ! 
assign ((resid    70 and name      HA))   ((resid    71 and name      HN))      2.036 0.509 0.509 ! 
assign ((resid    70 and name      HB))   ((resid    71 and name      HN))      3.053 0.763 0.763 ! 
assign ((resid    70 and name    HG1#))   ((resid    71 and name      HN))      2.988 2.988 0.747 ! 
assign ((resid    70 and name    HG1#))   ((resid    72 and name      HA))      4.488 4.488 1.122 ! 
assign ((resid    71 and name      HA))   ((resid    71 and name      HN))      2.911 0.728 0.728 ! 
assign ((resid    71 and name     HB*))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.685 2.685 0.671 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    71 and name      HN))      3.169 3.169 0.792 ! 
assign ((resid    71 and name     HB*))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.540 2.540 0.635 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    71 and name      HN))      2.545 2.545 0.636 ! 
assign ((resid    69 and name     HD*) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      2.469 2.469 0.617 ! 
assign ((resid    71 and name      HG) or 
        (resid    73 and name      HG))   ((resid    71 and name      HN))      2.912 2.912 0.728 ! 
assign ((resid    71 and name      HA))   ((resid    72 and name      HA))      4.875 1.219 1.219 ! 
assign ((resid    71 and name      HA))   ((resid    72 and name      HN))      1.940 0.485 0.485 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    72 and name      HN))      3.050 3.050 0.762 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    72 and name      HN))      3.929 3.929 0.982 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    73 and name      HN))      2.653 2.653 0.663 ! 
assign ((resid    69 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    73 and name     HD*))   ((resid    73 and name      HA))      3.939 3.939 0.985 ! 
assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    74 and name      HN))      3.400 3.400 0.850 ! 
assign ((resid    72 and name      HA))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      3.175 3.175 0.794 ! 
assign ((resid    72 and name      HA))   ((resid    72 and name     HG1) or 
                                           (resid    72 and name     HG2))      2.971 2.971 0.743 ! 
assign ((resid    72 and name      HA))   ((resid    72 and name      HN))      2.825 0.706 0.706 ! 
assign ((resid    72 and name     HB*))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      2.687 2.687 0.672 ! 
assign ((resid    72 and name     HB*))   ((resid    72 and name      HN))      3.038 3.038 0.759 ! 
assign ((resid    72 and name     HB*))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      2.723 2.723 0.681 ! 
assign ((resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name     HB*))      2.792 2.792 0.698 ! 
assign ((resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name     HB*))      2.756 2.756 0.689 ! 
assign ((resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    72 and name      HA))      2.614 2.614 0.653 ! 
assign ((resid    72 and name      HA))   ((resid    73 and name     HB*))      4.488 4.488 1.122 ! 
assign ((resid    72 and name      HA))   ((resid    73 and name      HN))      2.054 0.513 0.513 ! 
assign ((resid    72 and name     HB*))   ((resid    73 and name      HN))      3.929 3.929 0.982 ! 
assign ((resid    73 and name      HA))   ((resid    73 and name     HD*))      4.245 4.245 1.061 ! 
assign ((resid    73 and name      HA))   ((resid    73 and name     HD*))      2.368 2.368 0.592 ! 
assign ((resid    73 and name      HA))   ((resid    73 and name      HG) or 
                                           (resid    74 and name     HG1) or 
                                           (resid    74 and name     HG2))      3.505 3.505 0.876 ! 
assign ((resid    73 and name      HA))   ((resid    73 and name      HN))      2.942 0.736 0.736 ! 
assign ((resid    73 and name     HD*))   ((resid    73 and name      HA))      2.358 2.358 0.590 ! 
assign ((resid    73 and name     HD*))   ((resid    73 and name      HN))      4.364 4.364 1.091 ! 
assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    73 and name      HA))      3.430 3.430 0.858 ! 
assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    73 and name      HN))      2.966 2.966 0.742 ! 
assign ((resid    73 and name      HA))   ((resid    74 and name      HN))      2.190 0.547 0.547 ! 
assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    74 and name      HA))      3.601 3.601 0.900 ! 
assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    74 and name      HN))      3.678 3.678 0.919 ! 
assign ((resid    74 and name      HA))   ((resid    74 and name     HD1) or 
                                           (resid    74 and name     HD2))      4.258 4.258 1.065 ! 
assign ((resid    74 and name     HB*) or 
        (resid    74 and name     HB*))   ((resid    74 and name      HN))      3.070 3.070 0.767 ! 
assign ((resid    74 and name     HD1) or 
        (resid    74 and name     HD2))   ((resid    74 and name     HB*))      4.004 4.004 1.001 ! 
assign ((resid    74 and name      HA))   ((resid    75 and name     HA1) or 
                                           (resid    75 and name     HA2))      4.466 4.466 1.117 ! 
assign ((resid    74 and name      HA))   ((resid    75 and name      HN))      2.626 0.656 0.656 ! 
assign ((resid    75 and name     HA1) or 
        (resid    75 and name     HA2))   ((resid    75 and name      HN))      2.588 2.588 0.647 ! 


B. H-BOND RESTRAINTS

assign (resid   3 and name   N)  (resid  15 and name   O)  2.96  0.00  0.00 !
assign (resid   4 and name   N)  (resid  65 and name   O)  2.90  0.00  0.00 !
assign (resid   6 and name   N)  (resid  67 and name   O)  2.89  0.00  0.00 !
assign (resid   7 and name   N)  (resid  11 and name   O)  2.89  0.00  0.00 !
assign (resid  13 and name   N)  (resid   5 and name   O)  2.85  0.00  0.00 !
assign (resid  15 and name   N)  (resid   3 and name   O)  2.86  0.00  0.00 !
assign (resid  23 and name   N)  (resid  54 and name   O)  2.90  0.00  0.00 !
assign (resid  26 and name   N)  (resid  22 and name   O)  3.08  0.00  0.00 !
assign (resid  27 and name   N)  (resid  23 and name   O)  2.93  0.00  0.00 !
assign (resid  28 and name   N)  (resid  24 and name   O)  3.10  0.00  0.00 !
assign (resid  29 and name   N)  (resid  25 and name   O)  3.09  0.00  0.00 !
assign (resid  30 and name   N)  (resid  26 and name   O)  3.00  0.00  0.00 !
assign (resid  31 and name   N)  (resid  27 and name   O)  2.99  0.00  0.00 !
assign (resid  32 and name   N)  (resid  28 and name   O)  3.07  0.00  0.00 !
assign (resid  33 and name   N)  (resid  29 and name   O)  3.13  0.00  0.00 !
assign (resid  34 and name   N)  (resid  30 and name   O)  2.85  0.00  0.00 !
assign (resid  42 and name   N)  (resid  70 and name   O)  2.92  0.00  0.00 !
assign (resid  44 and name   N)  (resid  68 and name   O)  2.88  0.00  0.00 !
assign (resid  45 and name   N)  (resid  48 and name   O)  2.91  0.00  0.00 !
assign (resid  50 and name   N)  (resid  43 and name   O)  2.88  0.00  0.00 !
assign (resid  56 and name   N)  (resid  21 and name   O)  2.91  0.00  0.00 !
assign (resid  57 and name   N)  (resid  19 and name   O)  2.98  0.00  0.00 !
assign (resid  64 and name   N)  (resid   2 and name   O)  2.81  0.00  0.00 !
assign (resid  67 and name   N)  (resid   4 and name   O)  2.86  0.00  0.00 !
assign (resid  68 and name   N)  (resid  44 and name   O)  2.87  0.00  0.00 !
assign (resid  69 and name   N)  (resid   6 and name   O)  2.92  0.00  0.00 !
assign (resid  70 and name   N)  (resid  42 and name   O)  2.88  0.00  0.00 !


C. DIHEDRAL RESTRAINTS

!!! PHI DIHEDRAL RESTRAINTS

  !!   M1
  !!   Q2
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )     1 -137.80  0.00   2
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )     1 -111.70  0.00   2
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )     1 -127.80  0.00   2
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )     1 -100.50  0.00   2
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )     1 -95.60  0.00   2
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )     1 -60.70  0.00   2
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )     1 -96.40  0.00   2
  !!   G10
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )     1 -84.70  0.00   2
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )     1 -113.80  0.00   2
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )     1 -109.10  0.00   2
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )     1 -102.10  0.00   2
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )     1 -123.50  0.00   2
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )     1 -106.50  0.00   2
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )     1 -140.30  0.00   2
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )     1 -112.30  0.00   2
  !!   P19
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )     1 -84.30  0.00   2
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )     1 -71.10  0.00   2
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )     1 -82.80  0.00   2
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )     1 -60.00  0.00   2
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )     1 -70.60  0.00   2
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )     1 -70.90  0.00   2
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )     1 -63.30  0.00   2
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )     1 -61.20  0.00   2
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )     1 -68.60  0.00   2
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )     1 -68.20  0.00   2
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )     1 -60.00  0.00   2
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )     1 -57.50  0.00   2
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )     1 -83.90  0.00   2
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )     1 -108.30  0.00   2
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )     1 -91.30  0.00   2
  !!   P37
  !!   P38
 assign (resid  37 and name c ) (resid  38 and name n )
        (resid  38 and name ca) (resid  38 and name c )     1 -57.20  0.00   2
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )     1 -69.10  0.00   2
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )     1 -101.20  0.00   2
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )     1 -94.30  0.00   2
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )     1 -130.20  0.00   2
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )     1 -104.80  0.00   2
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )     1 -121.40  0.00   2
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )     1 -140.80  0.00   2
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )     1 43.40  0.00   2
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )     1 -110.70  0.00   2
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )     1 -78.70  0.00   2
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )     1 -83.70  0.00   2
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )     1 -93.40  0.00   2
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )     1 -47.00  0.00   2
  !!   G53
 assign (resid  52 and name c ) (resid  53 and name n )
        (resid  53 and name ca) (resid  53 and name c )     1 -82.90  0.00   2
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )     1 -99.40  0.00   2
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )     1 -102.00  0.00   2
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )     1 -53.00  0.00   2
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )     1 -56.40  0.00   2
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )     1 -59.90  0.00   2
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )     1 -100.50  0.00   2
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )     1 50.40  0.00   2
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )     1 -81.50  0.00   2
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )     1 -105.80  0.00   2
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )     1 -45.70  0.00   2
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )     1 64.20  0.00   2
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )     1 -71.10  0.00   2
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )     1 -107.80  0.00   2
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )     1 -102.60  0.00   2
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )     1 -108.80  0.00   2
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )     1 -107.30  0.00   2
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )     1 -124.80  0.00   2
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )     1 -94.00  0.00   2
  !!   R72
  !!   L73
  !!   R74
  !!   G75
  !!   G76

!!! CHI DIHEDRAL RESTRAINTS

  !!   I3
 assign (resid   3 and name n ) (resid   3 and name ca)
        (resid   3 and name cb) (resid   3 and name cg1)     1   65.70    0.00   2
  !!   F4
 assign (resid   4 and name n ) (resid   4 and name ca)
        (resid   4 and name cb) (resid   4 and name cg )     1  -51.60    0.00   2
  !!   V5
 assign (resid   5 and name n ) (resid   5 and name ca)
        (resid   5 and name cb) (resid   5 and name cg1)     1 -169.50    0.00   2
  !!   T7
 assign (resid   7 and name n ) (resid   7 and name ca)
        (resid   7 and name cb) (resid   7 and name og1)     1   76.70    0.00   2
  !!   T9
 assign (resid   9 and name n ) (resid   9 and name ca)
        (resid   9 and name cb) (resid   9 and name og1)     1   69.00    0.00   2
  !!   T12
 assign (resid  12 and name n ) (resid  12 and name ca)
        (resid  12 and name cb) (resid  12 and name og1)     1  -73.60    0.00   2
  !!   V17
 assign (resid  17 and name n ) (resid  17 and name ca)
        (resid  17 and name cb) (resid  17 and name cg1)     1  -59.10    0.00   2
  !!   E18
 assign (resid  18 and name n ) (resid  18 and name ca)
        (resid  18 and name cb) (resid  18 and name cg )     1  -53.90    0.00   2
  !!   D21
 assign (resid  21 and name n ) (resid  21 and name ca)
        (resid  21 and name cb) (resid  21 and name cg )     1  -80.60    0.00   2
  !!   T22
 assign (resid  22 and name n ) (resid  22 and name ca)
        (resid  22 and name cb) (resid  22 and name og1)     1   67.30    0.00   2
  !!   I23
 assign (resid  23 and name n ) (resid  23 and name ca)
        (resid  23 and name cb) (resid  23 and name cg1)     1  -69.10    0.00   2
  !!   V26
 assign (resid  26 and name n ) (resid  26 and name ca)
        (resid  26 and name cb) (resid  26 and name cg1)     1  166.90    0.00   2
  !!   K27
 assign (resid  27 and name n ) (resid  27 and name ca)
        (resid  27 and name cb) (resid  27 and name cg )     1  -62.80    0.00   2
  !!   K29
 assign (resid  29 and name n ) (resid  29 and name ca)
        (resid  29 and name cb) (resid  29 and name cg )     1  -70.70    0.00   2
  !!   I30
 assign (resid  30 and name n ) (resid  30 and name ca)
        (resid  30 and name cb) (resid  30 and name cg1)     1  -69.90    0.00   2
  !!   Q31
 assign (resid  31 and name n ) (resid  31 and name ca)
        (resid  31 and name cb) (resid  31 and name cg )     1  178.50    0.00   2
  !!   I36
 assign (resid  36 and name n ) (resid  36 and name ca)
        (resid  36 and name cb) (resid  36 and name cg1)     1  -44.40    0.00   2
  !!   Q40
 assign (resid  40 and name n ) (resid  40 and name ca)
        (resid  40 and name cb) (resid  40 and name cg )     1  -55.50    0.00   2
  !!   L43
 assign (resid  43 and name n ) (resid  43 and name ca)
        (resid  43 and name cb) (resid  43 and name cg )     1  -65.40    0.00   2
  !!   F45
 assign (resid  45 and name n ) (resid  45 and name ca)
        (resid  45 and name cb) (resid  45 and name cg )     1  175.10    0.00   2
  !!   L50
 assign (resid  50 and name n ) (resid  50 and name ca)
        (resid  50 and name cb) (resid  50 and name cg )     1  -54.20    0.00   2
  !!   D52
 assign (resid  52 and name n ) (resid  52 and name ca)
        (resid  52 and name cb) (resid  52 and name cg )     1  -80.40    0.00   2
  !!   R54
 assign (resid  54 and name n ) (resid  54 and name ca)
        (resid  54 and name cb) (resid  54 and name cg )     1  -60.40    0.00   2
  !!   T55
 assign (resid  55 and name n ) (resid  55 and name ca)
        (resid  55 and name cb) (resid  55 and name og1)     1   60.80    0.00   2
  !!   L56
 assign (resid  56 and name n ) (resid  56 and name ca)
        (resid  56 and name cb) (resid  56 and name cg )     1  -55.50    0.00   2
  !!   D58
 assign (resid  58 and name n ) (resid  58 and name ca)
        (resid  58 and name cb) (resid  58 and name cg )     1  -67.00    0.00   2
  !!   Y59
 assign (resid  59 and name n ) (resid  59 and name ca)
        (resid  59 and name cb) (resid  59 and name cg )     1  -59.10    0.00   2
  !!   I61
 assign (resid  61 and name n ) (resid  61 and name ca)
        (resid  61 and name cb) (resid  61 and name cg1)     1  -78.40    0.00   2
  !!   Q62
 assign (resid  62 and name n ) (resid  62 and name ca)
        (resid  62 and name cb) (resid  62 and name cg )     1  -70.20    0.00   2
  !!   K63
 assign (resid  63 and name n ) (resid  63 and name ca)
        (resid  63 and name cb) (resid  63 and name cg )     1   50.70    0.00   2
  !!   E64
 assign (resid  64 and name n ) (resid  64 and name ca)
        (resid  64 and name cb) (resid  64 and name cg )     1  -51.70    0.00   2
  !!   S65
 assign (resid  65 and name n ) (resid  65 and name ca)
        (resid  65 and name cb) (resid  65 and name og )     1  -55.60    0.00   2
  !!   T66
 assign (resid  66 and name n ) (resid  66 and name ca)
        (resid  66 and name cb) (resid  66 and name og1)     1  -64.90    0.00   2
  !!   H68
 assign (resid  68 and name n ) (resid  68 and name ca)
        (resid  68 and name cb) (resid  68 and name cg )     1  -53.70    0.00   2
  !!   L69
 assign (resid  69 and name n ) (resid  69 and name ca)
        (resid  69 and name cb) (resid  69 and name cg )     1  169.90    0.00   2


D. DIPOLAR RESTRAINTS

!!!
!!! DipolarCouplings.HN-N.tbl
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN) -8.1700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN)  8.2710  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN) 10.4890  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  9.8710  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN)  9.1520  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN)  3.7000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN)  6.4610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN)  7.6340  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -7.5280  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN)  7.3780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN)  6.9470  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN)  9.7130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN)  9.8510  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  1.9090  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)  0.0410  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -10.5130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -4.0710  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)  2.1190  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 11.8140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN)  9.0980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN)  2.9480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN)  8.8920  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN)  8.2230  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN)  1.5020  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN)  7.1760  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN)  8.7090  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN)  4.2840  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN)  1.2650  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN)  8.2580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN)  6.5250  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN) -12.5030  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -13.8790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN) 10.7010  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)  1.9400  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN)  7.8740  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN)  5.7190  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN)  7.6790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN)  7.9790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN)  4.2390  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN)  7.0520  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN)  9.0500  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -10.8260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN)  3.5000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN)  5.8570  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name    N)
       ( resid    51 and name   HN) -6.7880  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name    N)
       ( resid    52 and name   HN) -16.9830  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN) -6.3010  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN)  6.7610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN) 11.0210  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN) 10.8550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN)  7.8630  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN) 10.4030  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN)  7.3550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN)  6.9110  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN)  2.5130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -11.0510  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN) 10.7210  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN)  4.0260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN) 11.3200  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  9.8460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN)  8.7360  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  6.3480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN)  4.5520  0.0000  0.0000

!!!
!!! DipolarCouplings.HN-CO.tbl
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   HN)
       ( resid     1 and name    C)  1.6080  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   HN)
       ( resid     2 and name    C) -2.9270  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   HN)
       ( resid     3 and name    C)  2.0660  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   HN)
       ( resid     4 and name    C)  1.3430  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   HN)
       ( resid     5 and name    C)  2.6830  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   HN)
       ( resid     6 and name    C)  1.7300  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   HN)
       ( resid     7 and name    C) -1.1280  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   HN)
       ( resid    10 and name    C)  1.0570  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   HN)
       ( resid    11 and name    C) -1.4910  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   HN)
       ( resid    12 and name    C)  1.9330  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   HN)
       ( resid    13 and name    C)  1.4810  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   HN)
       ( resid    14 and name    C)  1.8740  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   HN)
       ( resid    15 and name    C)  3.1990  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   HN)
       ( resid    16 and name    C)  0.8960  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   HN)
       ( resid    17 and name    C)  0.4420  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   HN)
       ( resid    19 and name    C)  0.7830  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   HN)
       ( resid    20 and name    C)  2.0760  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   HN)
       ( resid    22 and name    C)  2.2280  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   HN)
       ( resid    24 and name    C) -3.8810  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   HN)
       ( resid    25 and name    C)  3.7170  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   HN)
       ( resid    26 and name    C)  0.4280  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   HN)
       ( resid    27 and name    C) -0.2820  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   HN)
       ( resid    28 and name    C) -0.8150  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   HN)
       ( resid    29 and name    C)  2.3600  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   HN)
       ( resid    30 and name    C)  2.8880  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   HN)
       ( resid    31 and name    C) -3.7720  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   HN)
       ( resid    32 and name    C)  2.7230  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   HN)
       ( resid    33 and name    C)  1.9860  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   HN)
       ( resid    34 and name    C)  0.4330  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   HN)
       ( resid    35 and name    C) -1.0190  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   HN)
       ( resid    38 and name    C) -0.0120  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   HN)
       ( resid    39 and name    C)  1.9700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   HN)
       ( resid    40 and name    C) -2.0320  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   HN)
       ( resid    41 and name    C)  2.8150  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   HN)
       ( resid    42 and name    C) -0.1100  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   HN)
       ( resid    43 and name    C)  2.5540  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   HN)
       ( resid    44 and name    C)  2.3260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   HN)
       ( resid    45 and name    C)  1.5470  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   HN)
       ( resid    46 and name    C) -0.4480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   HN)
       ( resid    47 and name    C) -2.2550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   HN)
       ( resid    48 and name    C) -1.9410  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   HN)
       ( resid    49 and name    C)  2.4370  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   HN)
       ( resid    50 and name    C) -0.6410  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   HN)
       ( resid    51 and name    C) -3.4510  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   HN)
       ( resid    53 and name    C)  1.3610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   HN)
       ( resid    54 and name    C) -2.7590  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   HN)
       ( resid    55 and name    C)  2.3120  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   HN)
       ( resid    56 and name    C) -0.2780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   HN)
       ( resid    57 and name    C) -0.9700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   HN)
       ( resid    58 and name    C)  3.0040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   HN)
       ( resid    59 and name    C) -2.1360  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   HN)
       ( resid    60 and name    C)  1.9960  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   HN)
       ( resid    61 and name    C)  2.4220  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   HN)
       ( resid    62 and name    C) -5.0480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   HN)
       ( resid    63 and name    C)  1.9080  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   HN)
       ( resid    64 and name    C)  2.3650  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   HN)
       ( resid    65 and name    C)  1.7840  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   HN)
       ( resid    66 and name    C)  2.8970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   HN)
       ( resid    67 and name    C)  0.2810  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   HN)
       ( resid    68 and name    C)  1.5900  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   HN)
       ( resid    69 and name    C)  1.2610  0.0000  0.0000

!!!
!!! DipolarCouplings.C-H.tbl
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA) -16.4200  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA)  7.6090  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA) 12.1850  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA) 26.2980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA) 23.6130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA) 17.9660  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) 16.8620  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA) -11.4530  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name  HA#) 25.4175  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA)  9.0170  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA) 11.3000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA) 18.3460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) 24.7330  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA) 22.8980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA)  8.3010  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA) 17.9190  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   HA) -14.9170  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) -6.8720  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA) 24.8860  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA) 20.3720  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   HA)  6.7800  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -28.1920  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 15.1620  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -5.2050  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) 15.6350  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   HA) -36.4040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 23.0280  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA)  5.2260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) -22.9430  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA) 14.5000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) 16.4780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name  HA#) 16.1235  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   HA) -37.9860  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CA)
       ( resid    37 and name   HA) -3.4290  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA)  3.8040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA)  5.4760  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA) -11.6040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA) 11.7480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   HA) 12.5700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   HA) 14.8130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) 16.8520  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name   HA) 17.0260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) 16.8020  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name  HA#)  7.6990  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) -14.5340  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA) 17.0350  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA)  2.1020  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -36.6040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   CA)
       ( resid    52 and name   HA)  4.6550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name  HA#) 29.1760  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA) -3.0650  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   HA) 12.8990  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   HA) -20.8260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   HA)  8.9290  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA) 17.2540  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA) -20.7590  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   HA) 18.9480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA)  5.4260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA)  6.7040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA)  6.7840  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   HA) 25.4700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   HA) 26.9410  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA) 23.7840  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA) 17.0500  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA) 15.7550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   HA) 13.8650  0.0000  0.0000

!!!
!!! DipolarCouplings.C-H.tbl.2
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CE)
       ( resid     1 and name   SD) -21.6620 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CG)
       ( resid     1 and name  HG#) -10.5075 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CB)
       ( resid     2 and name  HB#) -14.9200 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CG)
       ( resid     2 and name  HG#) -7.9600 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CD1)
       ( resid     3 and name  CG1) -1.8480 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CG2)
       ( resid     3 and name   CB) -14.2890  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CB)
       ( resid     4 and name  HB#)  8.2700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG1)
       ( resid     5 and name   CB) -29.1260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG2)
       ( resid     5 and name   CB) -4.4770  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CB)
       ( resid     6 and name  HB#) -12.5715 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CD)
       ( resid     6 and name  HD#) -13.2940 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CG)
       ( resid     6 and name  HG#) -13.4215 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CB)
       ( resid     7 and name   HB) -27.8780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name  CG2)
       ( resid     7 and name   CB) -1.1490  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CB)
       ( resid     8 and name  HB#) 10.5070  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD1)
       ( resid     8 and name   CG) -7.1750 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD2)
       ( resid     8 and name   CG)  4.7540  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CG)
       ( resid     8 and name   HG) -5.1250 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CB)
       ( resid     9 and name   HB) 14.0740  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name  CG2)
       ( resid     9 and name   CB) -17.8540  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CB)
       ( resid    11 and name  HB#) -13.5035 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CD)
       ( resid    11 and name  HD#) -9.0460 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CG)
       ( resid    11 and name  HG#) -8.0310 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CB)
       ( resid    12 and name   HB) 10.7700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name  CG2)
       ( resid    12 and name   CB) -14.2100  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CB)
       ( resid    13 and name   HB) 15.2810  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CD1)
       ( resid    13 and name  CG1) -0.8110 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CG2)
       ( resid    13 and name   CB)  4.2910  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CB)
       ( resid    14 and name   HB) 14.8510  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name  CG2)
       ( resid    14 and name   CB) -20.9350 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CB)
       ( resid    15 and name  HB#) 31.8975  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name  CD2)
       ( resid    15 and name   CG) 11.5980  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CB)
       ( resid    16 and name  HB#)  6.3575  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CG)
       ( resid    16 and name  HG#) 18.2715  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG1)
       ( resid    17 and name   CB) -28.5110  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG2)
       ( resid    17 and name   CB) 17.2740  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name  HB#) -25.0837  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CG)
       ( resid    18 and name  HG#)  6.7505  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CD)
       ( resid    19 and name  HD#) 21.5830  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CG)
       ( resid    19 and name  HG#) -18.8950 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CB)
       ( resid    20 and name  HB#) -7.3207  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CB)
       ( resid    21 and name  HB#) -21.1605  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CB)
       ( resid    22 and name   HB) -17.7980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name  CG2)
       ( resid    22 and name   CB) -2.9040  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CB)
       ( resid    23 and name   HB) 10.3140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CD1)
       ( resid    23 and name  CG1)  4.7740  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG1)
       ( resid    23 and name HG1#) -0.8130 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG2)
       ( resid    23 and name   CB) -22.0290  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CB)
       ( resid    24 and name  HB#) -12.1300 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CG)
       ( resid    24 and name  HG#) -5.0340 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CB)
       ( resid    25 and name  HB#) 22.4175  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CB)
       ( resid    26 and name   HB) -2.7790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG1)
       ( resid    26 and name   CB) 13.3600  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG2)
       ( resid    26 and name   CB) -34.5910  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CB)
       ( resid    27 and name  HB#) -12.9125  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CE)
       ( resid    27 and name  HE#) -10.5870 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CG)
       ( resid    27 and name  HG#) 28.4600  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CB)
       ( resid    28 and name   CA)  3.0000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CD)
       ( resid    29 and name  HD#) 26.3010  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CE)
       ( resid    29 and name  HE#) 14.6780  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CB)
       ( resid    30 and name   HB) 11.7760  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CD1)
       ( resid    30 and name  CG1) 18.2170  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG1)
       ( resid    30 and name HG1#) -5.8790 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG2)
       ( resid    30 and name   CB) -18.7680  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CB)
       ( resid    31 and name  HB#) -9.8110  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CG)
       ( resid    31 and name  HG#) -7.6600 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   CB)
       ( resid    32 and name  HB#) 18.8520  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CB)
       ( resid    33 and name  HB#) 20.8190  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CD)
       ( resid    33 and name  HD#) 17.0990  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CE)
       ( resid    33 and name  HE#) 13.6080  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CG)
       ( resid    33 and name  HG#) 22.1710  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CB)
       ( resid    34 and name  HB#) -17.1470 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CG)
       ( resid    34 and name  HG#)  8.7730  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CB)
       ( resid    36 and name   HB) -33.2470  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CD1)
       ( resid    36 and name  CG1) -4.6110 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CG2)
       ( resid    36 and name   CB) -0.7670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CD)
       ( resid    37 and name  HD#) 31.2950  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CG)
       ( resid    37 and name  HG#) -13.3880 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CD)
       ( resid    38 and name  HD#)  8.2410  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CG)
       ( resid    38 and name  HG#) -3.8770 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CB)
       ( resid    39 and name  HB#)  4.5755  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CB)
       ( resid    40 and name  HB#)  5.9250  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CG)
       ( resid    40 and name  HG#) 12.3350  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   CG)
       ( resid    41 and name  HG#)  5.8290  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CB)
       ( resid    42 and name  HB#) 11.0390  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CD)
       ( resid    42 and name  HD#)  5.5520  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CB)
       ( resid    43 and name  HB#) -4.1140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD1)
       ( resid    43 and name   CG) -9.8150 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD2)
       ( resid    43 and name   CG)  9.5000  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   CB)
       ( resid    44 and name   HB) 15.4970  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CD1)
       ( resid    44 and name  CG1) -5.4430 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG1)
       ( resid    44 and name HG1#) 30.8570  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG2)
       ( resid    44 and name   CB) 20.0240  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CB)
       ( resid    45 and name  HB#) 40.9320  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CB)
       ( resid    46 and name   CA) -28.5610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CB)
       ( resid    48 and name  HB#)  8.5390  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CD)
       ( resid    48 and name  HD#)  3.5910  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CE)
       ( resid    48 and name  HE#)  0.8070  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CG)
       ( resid    48 and name  HG#)  0.4770  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CB)
       ( resid    49 and name  HB#) 25.0790  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CG)
       ( resid    49 and name  HG#) 12.7450  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CB)
       ( resid    50 and name  HB#) -5.7340  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD1)
       ( resid    50 and name   CG)  0.5800  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD2)
       ( resid    50 and name   CG)  3.3880  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CG)
       ( resid    50 and name   HG) -14.1220 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CB)
       ( resid    51 and name  HB#) -19.3470  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CG)
       ( resid    51 and name  HG#) -0.2000 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   CB)
       ( resid    52 and name  HB#) 17.7295  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CD)
       ( resid    54 and name  HD#) -6.1905 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CG)
       ( resid    54 and name  HG#) -13.1280 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CB)
       ( resid    55 and name   HB)  2.5940  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name  CG2)
       ( resid    55 and name   CB) 19.1080  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CB)
       ( resid    56 and name  HB#) -4.7250  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name  CD2)
       ( resid    56 and name   CG) -14.2760 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CG)
       ( resid    56 and name   HG) 15.1140  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CB)
       ( resid    57 and name  HB#) 12.4205  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   CB)
       ( resid    58 and name  HB#)  1.1525  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CB)
       ( resid    59 and name  HB#) 37.2218  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CB)
       ( resid    60 and name  HB#) -10.5545 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CB)
       ( resid    61 and name   HB) 17.5490  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CD1)
       ( resid    61 and name  CG1) -12.4080 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG1)
       ( resid    61 and name HG1#) 34.2115  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG2)
       ( resid    61 and name   CB) 15.8410  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CB)
       ( resid    62 and name  HB#) -20.8790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CG)
       ( resid    62 and name  HG#) -13.2400 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CB)
       ( resid    63 and name  HB#) 26.4620  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CD)
       ( resid    63 and name  HD#) 22.7930  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CE)
       ( resid    63 and name  HE#)  8.5250  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CG)
       ( resid    63 and name  HG#) 25.6110  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CB)
       ( resid    64 and name  HB#)  4.9580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CG)
       ( resid    64 and name  HG#) -6.4820 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CB)
       ( resid    65 and name  HB#) -4.5680  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CB)
       ( resid    66 and name   HB) 24.3240  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD1)
       ( resid    67 and name   CG) -6.8890 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD2)
       ( resid    67 and name   CG) 16.0200  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CG)
       ( resid    67 and name   HG)  4.1930  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CB)
       ( resid    68 and name  HB#) -19.4268  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD1)
       ( resid    69 and name   CG)  2.6550  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD2)
       ( resid    69 and name   CG) 18.2170  0.0000 100.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CB)
       ( resid    70 and name   HB) -10.1820 100.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name  CG2)
       ( resid    70 and name   CB)  8.2060  0.0000 100.0000

!!!
!!! DipolarCouplings.N-CO.tbl
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name    N)
       ( resid     1 and name    C)  0.8160  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name    N)
       ( resid     2 and name    C) -2.1060  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C)  0.1420  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C) -0.7950  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C)  0.4800  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C) -0.1060  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C) -2.0300  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C)  0.9630  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C) -1.7630  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C)  0.7320  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C) -0.4770  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C)  0.5330  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C)  0.7560  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C)  0.6970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C)  0.8100  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C)  1.0260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C)  0.5220  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C) -0.2580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name    N)
       ( resid    24 and name    C) -2.5230  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name    N)
       ( resid    25 and name    C)  1.1610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name    N)
       ( resid    26 and name    C) -1.1460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name    N)
       ( resid    27 and name    C)  0.2060  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name    N)
       ( resid    28 and name    C) -1.0230  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name    N)
       ( resid    29 and name    C)  0.1310  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name    N)
       ( resid    30 and name    C)  0.5780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name    N)
       ( resid    31 and name    C) -2.0140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name    N)
       ( resid    32 and name    C)  1.1160  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name    N)
       ( resid    33 and name    C) -0.3980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name    N)
       ( resid    34 and name    C)  0.8670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name    N)
       ( resid    35 and name    C)  0.9150  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name    N)
       ( resid    38 and name    C) -1.4250  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name    N)
       ( resid    39 and name    C)  0.7920  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name    N)
       ( resid    40 and name    C) -1.8950  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name    N)
       ( resid    41 and name    C)  1.1460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name    N)
       ( resid    42 and name    C) -1.3910  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name    N)
       ( resid    43 and name    C)  0.7480  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name    N)
       ( resid    44 and name    C)  0.1740  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name    N)
       ( resid    45 and name    C)  0.8870  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name    N)
       ( resid    46 and name    C) -1.5670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name    N)
       ( resid    47 and name    C) -0.0120  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name    N)
       ( resid    48 and name    C) -0.9700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name    N)
       ( resid    49 and name    C)  0.7730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name    N)
       ( resid    50 and name    C)  0.3770  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name    N)
       ( resid    51 and name    C) -0.0890  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name    N)
       ( resid    53 and name    C)  0.9630  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name    N)
       ( resid    54 and name    C) -1.9460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name    N)
       ( resid    55 and name    C)  0.3100  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name    N)
       ( resid    56 and name    C) -0.7950  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name    N)
       ( resid    57 and name    C) -1.2120  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name    N)
       ( resid    58 and name    C)  0.6210  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name    N)
       ( resid    59 and name    C) -2.0170  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name    N)
       ( resid    60 and name    C)  0.6840  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name    N)
       ( resid    61 and name    C)  0.4430  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name    N)
       ( resid    62 and name    C) -1.3730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name    N)
       ( resid    63 and name    C) -0.0360  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name    N)
       ( resid    64 and name    C)  0.3010  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name    N)
       ( resid    65 and name    C) -0.6490  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name    N)
       ( resid    66 and name    C)  0.3890  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name    N)
       ( resid    67 and name    C) -1.1880  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name    N)
       ( resid    68 and name    C)  0.2580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name    N)
       ( resid    69 and name    C) -0.3750  0.0000  0.0000

!!!
!!! DipolarCouplings.CA-CO.tbl
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name    C) -2.4200  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name    C)  0.6130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name    C) -1.0550  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name    C) -2.4730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C) -0.2790  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C) -3.1340  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C)  0.1640  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C) -1.5940  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C) -0.8890  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C)  1.5320  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C) -2.6090  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C)  1.7690  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C) -3.1390  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C)  1.0960  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C) -2.1390  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C)  0.5180  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C) -2.1970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C) -0.7300  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C) -0.5960  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name    C)  0.7690  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name    C)  1.4140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name    C) -2.4600  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name    C)  2.4920  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name    C)  0.4510  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name    C) -0.2690  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name    C) -0.6950  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name    C)  1.3610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name    C)  1.2970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name    C) -2.4160  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name    C) -2.3540  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name    C) -0.2250  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name    C) -0.5870  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name    C)  0.7140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name    C) -0.3730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name    C) -1.9440  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name    C)  2.2460  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name    C)  2.3400  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name    C) -1.5730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name    C)  1.1650  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name    C)  1.9970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name    C) -0.7350  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name    C)  0.6700  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name    C)  1.1650  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name    C) -2.0130  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name    C)  1.8720  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name    C) -0.2300  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name    C)  1.1120  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name    C)  1.1880  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name    C) -0.9440  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name    C)  1.5780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name    C) -2.4670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name    C)  0.7970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name    C) -0.9170  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name    C) -1.8810  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name    C) -1.1350  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name    C) -1.8680  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name    C) -0.1430  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name    C) -3.0680  0.0000  0.0000

!!!
!!! DipolarCouplings.CA-CB.tbl2
!!!

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   CB)  1.6670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   CB)  2.0980  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   CB)  1.5750  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   CB)  1.4430  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   CB)  1.1530  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   CB) -0.6660  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   CB)  0.0270  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   CB) -0.9520  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   CB)  0.6260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   CB)  1.2600  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   CB) -0.9920  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   CB)  0.5390  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   CB)  0.6610  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   CB)  1.3180  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   CB)  0.6140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   CB)  1.3580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   CB)  2.4970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   CB)  1.2690  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   CB)  0.0140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   CB) -0.4080  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   CB) -0.4270  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   CB) -0.6910  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   CB) -1.9470  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   CB) -1.4360  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   CB) -0.2730  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   CB)  1.5500  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   CB) -2.5000  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   CB)  0.6950  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   CB) -1.1830  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   CB) -1.0310  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   CB)  1.7140  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   CB) -0.9260  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   CB)  0.6450  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   CB) -2.0780  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   CB)  0.1580  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   CB)  1.5560  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   CB)  1.0670  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   CB)  2.2970  0.0000  0.0000
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   CB)  1.8100  0.0000  0.0000

!!!
!!! DipolarCouplings.HN-N.tbl.1
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN) -15.5240  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN) 10.5210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN)  9.6480  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  6.0820  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN)  3.8540  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -3.4030  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN) 15.0550  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -16.9380  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN)  2.5050  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN)  0.7000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN)  6.4350  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN) 14.1970  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  0.0770  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)  1.9640  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -20.1150  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -12.0890  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)  4.5830  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 23.7300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN)  3.8320  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN) -2.5470  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN)  3.1720  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN)  5.0740  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN) -1.7580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN)  2.7170  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN)  3.6190  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN)  4.8700  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN) -3.4660  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN)  3.3580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN)  4.3640  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN) -13.4890  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -24.3680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN) 17.7240  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)  0.1560  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN) 26.4000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN) 11.6070  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN) 13.3300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN)  4.3690  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN) -2.9960  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN)  1.1860  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN)  4.3860  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -22.9700  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN) -2.8300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN)  3.9210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN) -5.5300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN)  2.2540  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN) 19.0410  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN) 25.2620  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN) 12.0820  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN) 12.0290  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN) 25.0310  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN) 19.0710  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN) 16.2550  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -15.4330  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN) 22.5970  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN) 19.7520  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN) 16.2160  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  8.1350  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN)  4.5680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  6.5650  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN) 13.4970  0.0000  0.0000

!!!
!!! DipolarCouplings.HN-CO.tbl.1
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   HN)
       ( resid     1 and name    C)  3.9930  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   HN)
       ( resid     2 and name    C) -5.6460  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   HN)
       ( resid     3 and name    C)  1.0410  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   HN)
       ( resid     4 and name    C)  0.8350  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   HN)
       ( resid     5 and name    C)  3.2590  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   HN)
       ( resid     6 and name    C)  1.0210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   HN)
       ( resid     7 and name    C) -4.0420  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   HN)
       ( resid     8 and name    C)  3.8140  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   HN)
       ( resid    10 and name    C)  2.5120  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   HN)
       ( resid    11 and name    C) -5.6940  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   HN)
       ( resid    12 and name    C)  1.6090  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   HN)
       ( resid    13 and name    C)  1.4590  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   HN)
       ( resid    14 and name    C)  1.1820  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   HN)
       ( resid    15 and name    C)  7.2350  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   HN)
       ( resid    16 and name    C) -0.0560  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   HN)
       ( resid    17 and name    C)  0.4890  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   HN)
       ( resid    19 and name    C)  3.4180  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   HN)
       ( resid    20 and name    C)  3.7410  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   HN)
       ( resid    21 and name    C)  2.4370  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   HN)
       ( resid    22 and name    C) -0.1870  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   HN)
       ( resid    24 and name    C) -6.7310  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   HN)
       ( resid    25 and name    C)  3.8600  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   HN)
       ( resid    26 and name    C) -1.9220  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   HN)
       ( resid    27 and name    C)  2.5170  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   HN)
       ( resid    28 and name    C) -2.9030  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   HN)
       ( resid    29 and name    C)  2.8940  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   HN)
       ( resid    30 and name    C)  5.1520  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   HN)
       ( resid    31 and name    C) -6.5170  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   HN)
       ( resid    32 and name    C)  4.6050  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   HN)
       ( resid    33 and name    C) -0.2320  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   HN)
       ( resid    34 and name    C)  4.5480  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   HN)
       ( resid    35 and name    C) -1.7810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   HN)
       ( resid    38 and name    C) -1.9270  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   HN)
       ( resid    39 and name    C) -0.2440  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   HN)
       ( resid    40 and name    C)  0.1220  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   HN)
       ( resid    41 and name    C)  7.7690  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   HN)
       ( resid    42 and name    C)  0.7900  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   HN)
       ( resid    43 and name    C)  4.4780  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   HN)
       ( resid    44 and name    C) -0.5830  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   HN)
       ( resid    45 and name    C)  3.0230  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   HN)
       ( resid    46 and name    C) -2.6300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   HN)
       ( resid    47 and name    C) -2.1030  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   HN)
       ( resid    48 and name    C) -5.4520  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   HN)
       ( resid    49 and name    C)  1.6580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   HN)
       ( resid    50 and name    C) -1.2430  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   HN)
       ( resid    51 and name    C) -6.2260  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   HN)
       ( resid    53 and name    C)  6.5670  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   HN)
       ( resid    54 and name    C) -5.6250  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   HN)
       ( resid    55 and name    C)  1.0620  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   HN)
       ( resid    56 and name    C)  5.9790  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   HN)
       ( resid    57 and name    C) -2.3260  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   HN)
       ( resid    58 and name    C)  0.8730  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   HN)
       ( resid    59 and name    C) -0.1130  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   HN)
       ( resid    60 and name    C)  5.5660  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   HN)
       ( resid    61 and name    C)  7.3490  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   HN)
       ( resid    62 and name    C) -8.5390  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   HN)
       ( resid    63 and name    C)  1.3760  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   HN)
       ( resid    64 and name    C)  5.7400  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   HN)
       ( resid    65 and name    C)  5.0400  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   HN)
       ( resid    66 and name    C)  4.0810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   HN)
       ( resid    67 and name    C) -2.6610  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   HN)
       ( resid    68 and name    C)  0.2800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   HN)
       ( resid    69 and name    C)  1.3770  0.0000  0.0000

!!!
!!! DipolarCouplings.C-H.tbl.1
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA) -38.3410  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA) 11.6620  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA) 18.4240  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA) 26.7330  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA) 15.7480  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA)  2.5090  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) 14.9370  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA)  3.5650  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name  HA#) 39.0840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA)  1.0560  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA) -6.1170  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA)  4.8300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) 23.5740  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA) 23.3020  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA) 13.2060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA) 35.1920  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   HA) -31.2130  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) 15.6470  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA) 57.9710  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA) 17.7730  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   HA)  0.9870  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -25.1210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 19.7520  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -26.4110  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) 45.4920  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   HA) -55.4750  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 36.7620  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA) -4.6110  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) -12.9290  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA)  5.5590  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) 13.4690  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name  HA#) 46.3340  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   HA) -53.2910  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CA)
       ( resid    37 and name   HA)  8.5960  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA)  7.3470  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA) -3.5740  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA) -29.8800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA) 34.5160  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   HA) 33.3530  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   HA) 21.3540  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) 11.5630  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name   HA) 14.7610  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) 38.0110  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name  HA#) 14.9000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) -31.3550  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA)  6.0800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA) -9.5840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -51.5840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   CA)
       ( resid    52 and name   HA) -12.8680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name  HA#) 31.9180  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA)  7.4630  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   HA)  6.3810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   HA) -12.8750  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   HA) 18.0150  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA)  6.6070  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA) -11.8130  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   HA) 55.0880  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA) 35.2320  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA)  9.2590  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA) -0.6980  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   HA) 52.6300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   HA) 34.1840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA) 21.6690  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA)  3.3730  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA) 22.0290  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   HA) 23.5720  0.0000  0.0000

!!!
!!! DipolarCouplings.C-H.tbl.1.2
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CB)
       ( resid     1 and name  HB#)  8.9955  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CE)
       ( resid     1 and name   SD) -39.6983 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CG)
       ( resid     1 and name  HG#)  9.1000  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CB)
       ( resid     2 and name  HB#) -10.6340 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CG)
       ( resid     2 and name  HG#) -4.2070 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CB)
       ( resid     3 and name   HB) 15.5680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name  CD1)
       ( resid     3 and name  CG1) -17.5370 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name  CG2)
       ( resid     3 and name   CB) -19.4550  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   CB)
       ( resid     4 and name  HB#) 11.2500  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CB)
       ( resid     5 and name   HB) 12.6700  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name  CG1)
       ( resid     5 and name   CB) -43.6800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name  CG2)
       ( resid     5 and name   CB)  9.2710  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CB)
       ( resid     6 and name  HB#) -31.7305 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CD)
       ( resid     6 and name  HD#) -17.3550 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CG)
       ( resid     6 and name  HG#) -19.5085 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CB)
       ( resid     7 and name   HB) -48.0810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name  CG2)
       ( resid     7 and name   CB) 17.4050  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   CB)
       ( resid     8 and name  HB#) 29.4665  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name  CD1)
       ( resid     8 and name   CG) -15.5190 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name  CD2)
       ( resid     8 and name   CG)  4.1880  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   CG)
       ( resid     8 and name   HG)  6.0240  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CB)
       ( resid     9 and name   HB) 16.2220  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name  CG2)
       ( resid     9 and name   CB) -33.9063  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CB)
       ( resid    11 and name  HB#) -23.8850 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CD)
       ( resid    11 and name  HD#) -18.0700 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CG)
       ( resid    11 and name  HG#) -17.1395 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CB)
       ( resid    12 and name   HB) -2.8050  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name  CG2)
       ( resid    12 and name   CB) -14.7450  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CB)
       ( resid    13 and name   HB) 14.5080  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name  CD1)
       ( resid    13 and name  CG1) -7.1490 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name  CG2)
       ( resid    13 and name   CB) 20.9390  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CB)
       ( resid    14 and name   HB) 14.6880  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name  CG2)
       ( resid    14 and name   CB) -24.5850 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CB)
       ( resid    15 and name  HB#) 61.5245  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name  CD1)
       ( resid    15 and name   CG) -8.1360 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name  CD2)
       ( resid    15 and name   CG) 11.0130  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CG)
       ( resid    15 and name   HG) 49.7960  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CB)
       ( resid    16 and name  HB#) 12.9725  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CG)
       ( resid    16 and name  HG#) 24.3595  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name  CG1)
       ( resid    17 and name   CB) -42.9800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name  CG2)
       ( resid    17 and name   CB) 33.7420  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name  HB#) -51.3275  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CG)
       ( resid    18 and name  HG#) 21.6410  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CD)
       ( resid    19 and name  HD#) 45.1180  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CG)
       ( resid    19 and name  HG#) -7.5320 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   CB)
       ( resid    20 and name  HB#) -18.8457  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CB)
       ( resid    21 and name  HB#) -14.1055  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CB)
       ( resid    22 and name   HB) -31.2900  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name  CG2)
       ( resid    22 and name   CB)  8.7770  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   CB)
       ( resid    23 and name   HB)  7.5380  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CD1)
       ( resid    23 and name  CG1) 11.7780  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CG1)
       ( resid    23 and name HG1#)  7.9175  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CG2)
       ( resid    23 and name   CB) -17.7190  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CB)
       ( resid    24 and name  HB#) -24.9720 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CG)
       ( resid    24 and name  HG#) -9.0610 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CB)
       ( resid    25 and name  HB#) 15.4255  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   CB)
       ( resid    26 and name   HB) -23.0820  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name  CG1)
       ( resid    26 and name   CB) 35.5400  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name  CG2)
       ( resid    26 and name   CB) -50.2690  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CB)
       ( resid    27 and name  HB#)  1.1020  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CE)
       ( resid    27 and name  HE#) -0.0350 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CG)
       ( resid    27 and name  HG#) 26.3995  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CB)
       ( resid    28 and name   CA) 30.8390  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CB)
       ( resid    29 and name  HB#) 32.9330  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CD)
       ( resid    29 and name  HD#) 27.0755  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CE)
       ( resid    29 and name  HE#)  9.3200  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CB)
       ( resid    30 and name   HB)  6.7150  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CD1)
       ( resid    30 and name  CG1) 17.1250  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CG1)
       ( resid    30 and name HG1#)  1.4610  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CG2)
       ( resid    30 and name   CB) -8.8730  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CB)
       ( resid    31 and name  HB#) -10.8715  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CG)
       ( resid    31 and name  HG#) -8.6350 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   CB)
       ( resid    32 and name  HB#) 26.5700  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CB)
       ( resid    33 and name  HB#) 28.3235  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CD)
       ( resid    33 and name  HD#) 31.9555  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CE)
       ( resid    33 and name  HE#) 26.8950  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CG)
       ( resid    33 and name  HG#) 37.5645  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CB)
       ( resid    34 and name  HB#) -23.8385 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CG)
       ( resid    34 and name  HG#) 23.2180  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   CB)
       ( resid    36 and name   HB) -46.3850  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name  CD1)
       ( resid    36 and name  CG1) -2.0820 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name  CG2)
       ( resid    36 and name   CB) -14.5350  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CD)
       ( resid    37 and name  HD#) 44.3750  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CG)
       ( resid    37 and name  HG#) -27.0470 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CD)
       ( resid    38 and name  HD#) -11.6880 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CG)
       ( resid    38 and name  HG#) 10.0195  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CB)
       ( resid    39 and name  HB#) 11.0470  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CB)
       ( resid    40 and name  HB#) 24.2765  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CG)
       ( resid    40 and name  HG#) 30.0400  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   CG)
       ( resid    41 and name  HG#) 19.0030  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CB)
       ( resid    42 and name  HB#) 20.0820  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CD)
       ( resid    42 and name  HD#) 10.6740  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CB)
       ( resid    43 and name  HB#) -14.1410  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name  CD1)
       ( resid    43 and name   CG)  1.0600  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name  CD2)
       ( resid    43 and name   CG)  8.9550  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   CB)
       ( resid    44 and name   HB)  7.4620  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CD1)
       ( resid    44 and name  CG1) -15.0920 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CG1)
       ( resid    44 and name HG1#) 47.0570  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CG2)
       ( resid    44 and name   CB) 27.1800  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   CB)
       ( resid    45 and name  HB#) 44.5977  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CB)
       ( resid    46 and name   CA) -39.0033  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CB)
       ( resid    48 and name  HB#)  8.2030  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CD)
       ( resid    48 and name  HD#) 11.9000  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CE)
       ( resid    48 and name  HE#)  9.1590  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CG)
       ( resid    48 and name  HG#)  5.4770  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CB)
       ( resid    49 and name  HB#) 39.3920  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CG)
       ( resid    49 and name  HG#) 25.8180  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CB)
       ( resid    50 and name  HB#)  5.2245  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name  CD1)
       ( resid    50 and name   CG) -5.1240 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name  CD2)
       ( resid    50 and name   CG) -13.9110 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CG)
       ( resid    50 and name   HG) -5.1980 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CB)
       ( resid    51 and name  HB#) -19.5835  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CG)
       ( resid    51 and name  HG#)  0.7300  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   CB)
       ( resid    52 and name  HB#)  8.5385  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CD)
       ( resid    54 and name  HD#)  0.9325  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CG)
       ( resid    54 and name  HG#)  0.0160  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CB)
       ( resid    55 and name   HB) -17.9810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name  CG2)
       ( resid    55 and name   CB) 47.1040  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CB)
       ( resid    56 and name  HB#) 23.3050  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name  CD1)
       ( resid    56 and name   CG) -7.7780 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name  CD2)
       ( resid    56 and name   CG) -6.3150 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CG)
       ( resid    56 and name   HG) 34.2020  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CB)
       ( resid    57 and name  HB#) -1.3465 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   CB)
       ( resid    58 and name  HB#) -17.2335  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CB)
       ( resid    59 and name  HB#) 65.9953  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CB)
       ( resid    60 and name  HB#) -6.2847 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CB)
       ( resid    61 and name   HB) 50.1380  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CD1)
       ( resid    61 and name  CG1) -18.9290 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CG1)
       ( resid    61 and name HG1#) 51.8505  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CG2)
       ( resid    61 and name   CB)  7.2580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CB)
       ( resid    62 and name  HB#) -20.1045  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CG)
       ( resid    62 and name  HG#) -18.6033 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CB)
       ( resid    63 and name  HB#) 49.0485  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CD)
       ( resid    63 and name  HD#) 41.3515  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CE)
       ( resid    63 and name  HE#) 19.2710  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CG)
       ( resid    63 and name  HG#) 46.2715  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CB)
       ( resid    64 and name  HB#) 20.0455  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CG)
       ( resid    64 and name  HG#) -8.9150 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CB)
       ( resid    65 and name  HB#)  5.0125  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CB)
       ( resid    66 and name   HB) 29.2560  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name  CD1)
       ( resid    67 and name   CG) -7.1930 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name  CD2)
       ( resid    67 and name   CG) 25.1860  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CG)
       ( resid    67 and name   HG) -10.3030 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CB)
       ( resid    68 and name  HB#) -44.1967  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CB)
       ( resid    69 and name  HB#) -20.0400  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name  CD1)
       ( resid    69 and name   CG) 14.4860  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name  CD2)
       ( resid    69 and name   CG) 11.6200  0.0000 100.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CG)
       ( resid    69 and name   HG) -30.6190 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CB)
       ( resid    70 and name   HB) -5.5000 100.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name  CG2)
       ( resid    70 and name   CB) 10.9620  0.0000 100.0000

!!!
!!! DipolarCouplings.N-CO.tbl.1
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name    N)
       ( resid     1 and name    C)  2.6510  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     2 and name    C) -3.7680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C)  1.4630  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C) -1.7260  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C)  1.3520  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C) -0.6960  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C) -3.2060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name    N)
       ( resid     8 and name    C)  1.2110  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C)  2.3210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C) -3.1490  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C)  1.8270  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C) -0.8580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C)  0.2780  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C)  2.7750  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C)  0.1620  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C)  1.2490  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C)  3.1870  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C)  0.7060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    21 and name    C) -1.4740  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C) -0.3480  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name    N)
       ( resid    24 and name    C) -3.6590  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name    N)
       ( resid    25 and name    C)  2.6860  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name    N)
       ( resid    26 and name    C) -2.6300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name    N)
       ( resid    27 and name    C)  2.1180  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name    N)
       ( resid    28 and name    C) -1.8550  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name    N)
       ( resid    29 and name    C)  0.3950  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name    N)
       ( resid    30 and name    C)  1.2950  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name    N)
       ( resid    31 and name    C) -2.6540  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name    N)
       ( resid    32 and name    C)  2.5470  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name    N)
       ( resid    33 and name    C) -1.4000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name    N)
       ( resid    34 and name    C)  2.7780  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name    N)
       ( resid    35 and name    C)  0.9830  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name    N)
       ( resid    38 and name    C) -2.7140  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name    N)
       ( resid    39 and name    C)  0.5840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name    N)
       ( resid    40 and name    C) -2.7390  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name    N)
       ( resid    41 and name    C)  2.9390  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name    N)
       ( resid    42 and name    C) -1.9980  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name    N)
       ( resid    43 and name    C)  2.0280  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name    N)
       ( resid    44 and name    C) -0.5270  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name    N)
       ( resid    45 and name    C)  2.2510  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name    N)
       ( resid    46 and name    C) -2.6530  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name    N)
       ( resid    47 and name    C)  1.4460  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name    N)
       ( resid    48 and name    C) -1.8720  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name    N)
       ( resid    49 and name    C)  0.7210  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name    N)
       ( resid    50 and name    C)  1.0700  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name    N)
       ( resid    51 and name    C) -0.0240  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name    N)
       ( resid    53 and name    C)  2.8180  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name    N)
       ( resid    54 and name    C) -3.3800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name    N)
       ( resid    55 and name    C) -0.6720  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name    N)
       ( resid    56 and name    C) -0.0670  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name    N)
       ( resid    57 and name    C) -2.4320  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name    N)
       ( resid    58 and name    C)  0.5460  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name    N)
       ( resid    59 and name    C) -2.7170  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name    N)
       ( resid    60 and name    C)  0.7990  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name    N)
       ( resid    61 and name    C)  0.9570  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name    N)
       ( resid    62 and name    C) -2.6880  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name    N)
       ( resid    63 and name    C) -0.7630  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name    N)
       ( resid    64 and name    C) -0.0100  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name    N)
       ( resid    65 and name    C) -0.1630  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name    N)
       ( resid    66 and name    C)  0.7850  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name    N)
       ( resid    67 and name    C) -2.4370  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name    N)
       ( resid    68 and name    C) -0.3870  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name    N)
       ( resid    69 and name    C) -1.5070  0.0000  0.0000

!!!
!!! DipolarCouplings.CA-CO.tbl.1
!!!

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name    C) -3.3510  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name    C)  0.8200  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name    C) -1.8380  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C)  0.9140  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C) -5.5780  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C)  2.1300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C) -3.2610  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C) -1.1790  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C)  4.3300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C) -3.9930  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C)  5.0160  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C) -5.0250  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C)  1.2280  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C) -3.8070  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C)  0.2000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C) -4.4790  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C) -2.2270  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C) -0.0230  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name    C) -0.6840  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name    C)  3.4660  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name    C)  3.3810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name    C) -0.9400  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name    C)  1.6240  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name    C) -1.6950  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name    C)  0.4700  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name    C)  2.7430  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name    C) -2.7060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name    C) -2.0060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name    C)  3.9570  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name    C) -0.6680  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name    C) -3.5140  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name    C)  2.5010  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name    C) -3.9570  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name    C)  2.3330  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name    C)  3.1800  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name    C)  1.6440  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name    C)  1.6970  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name    C)  3.4060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name    C) -3.8850  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name    C)  4.9910  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name    C) -1.4810  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name    C) -0.1640  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name    C)  4.8460  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name    C) -1.8450  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name    C)  1.4000  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name    C) -4.5900  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name    C)  2.8140  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name    C) -1.4120  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name    C) -3.8640  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name    C) -3.3580  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name    C) -3.6730  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name    C)  0.0300  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name    C) -3.4060  0.0000  0.0000
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name    C)  1.7320  0.0000  0.0000


E. SCALAR COUPLINGS (NOT USED IN CALC

 
!!!
!!! ../xplor.845/cocb_coup.tbl
!!!
 


!remark cocb, phi coupling
!remark theta = 240   
!remark     A = +1.74 
!remark     B = -0.57 
!remark     C = +0.25 
!remark  rmsd = +0.16 

coefficients 1.74 -0.57 0.25 240 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    2.30  0.50 ! -91.00
  !!   I3
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )    1.30  0.50 ! -110.29
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )    0.80  0.50 ! -124.80
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )    1.60  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )    1.90  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    2.50  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    1.70  0.50 ! -97.33
  !!   G10
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )    2.20  0.50 ! -84.77
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    1.20  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    1.40  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )    1.70  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    1.00  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    1.70  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    0.50  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    1.10  0.50 ! -109.62
  !!   P19
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )    2.00  0.50 ! -83.83
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )    2.60  0.50 ! -71.00
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )    2.30  0.50 ! -82.90
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )    2.70  0.50 ! -61.34
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )    2.60  0.50 ! -68.63
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    2.30  0.50 ! -69.93
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )    2.60  0.50 ! -63.22
  !!   A28
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )    2.50  0.50 ! -68.76
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    2.60  0.50 ! -68.72
  !!   Q31
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    2.70  0.50 ! -55.26
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )    2.10  0.50 ! -83.74
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )    1.10  0.50 ! -108.28
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )    1.80  0.50 ! -86.66
  !!   P37
  !!   P38
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )    2.20  0.50 ! -69.07
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )    1.70  0.50 ! -106.65
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )    1.90  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    0.80  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    1.60  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )    0.80  0.50 ! -112.89
  !!   F45
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    0.50  0.50 ! 41.03
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    1.30  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    2.60  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )    2.10  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )    1.80  0.50 ! -91.32
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )    2.80  0.50 ! -45.48
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    1.80  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )    1.70  0.50 ! -101.53
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )    2.60  0.50 ! -53.00
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )    2.70  0.50 ! -57.85
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    2.70  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    1.60  0.50 ! -100.41
  !!   N60
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )    2.30  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    1.30  0.50 ! -102.36
  !!   K63
  !!   E64
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )    2.50  0.50 ! -71.10
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )    1.20  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    1.80  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    1.30  0.50 ! -107.91
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )    1.10  0.50 ! -107.00
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    0.70  0.50 ! -119.25
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )    1.90  0.50 ! -93.43
  !!   R72
  !!   L73
 assign (resid  72 and name c ) (resid  73 and name n )
        (resid  73 and name ca) (resid  73 and name c )    1.90  0.50 ! -83.70
  !!   R74
 assign (resid  73 and name c ) (resid  74 and name n )
        (resid  74 and name ca) (resid  74 and name c )    1.90  0.50 ! -97.70
  !!   G75
  !!   G76
 
!!!
!!! ../xplor.845/coco_coup.tbl
!!!
 


!remark coco, phi coupling
!remark theta = 0     
!remark     A = +1.36 
!remark     B = -0.93 
!remark     C = +0.60 
!remark  rmsd = +0.13 

coefficients 1.36 -0.93 0.60 0 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    0.73  0.50 ! -91.00
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )    1.92  0.50 ! -135.87
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )    1.18  0.50 ! -110.29
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )    1.77  0.50 ! -124.80
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )    0.93  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )    0.68  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    0.42  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    0.57  0.50 ! -97.33
  !!   G10
 assign (resid   9 and name c ) (resid  10 and name n )
        (resid  10 and name ca) (resid  10 and name c )    0.66  0.50 ! 77.40
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )    0.62  0.50 ! -84.77
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    1.11  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    1.14  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )    0.75  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    1.58  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    0.85  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    2.28  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    1.21  0.50 ! -109.62
  !!   P19
  !!   S20
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )    0.60  0.50 ! -71.00
  !!   T22
  !!   I23
  !!   E24
  !!   N25
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    0.53  0.50 ! -69.93
  !!   K27
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )    0.47  0.50 ! -61.23
  !!   K29
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    0.59  0.50 ! -68.72
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )    0.58  0.50 ! -59.99
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    0.45  0.50 ! -55.26
  !!   K33
  !!   E34
  !!   G35
 assign (resid  34 and name c ) (resid  35 and name n )
        (resid  35 and name ca) (resid  35 and name c )    0.35  0.50 ! 81.20
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )    0.63  0.50 ! -86.66
  !!   P37
  !!   P38
  !!   D39
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )    0.73  0.50 ! -106.65
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )    0.61  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    1.62  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    0.97  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )    1.68  0.50 ! -112.89
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )    2.03  0.50 ! -141.07
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    0.76  0.50 ! 41.03
  !!   G47
 assign (resid  46 and name c ) (resid  47 and name n )
        (resid  47 and name ca) (resid  47 and name c )    0.39  0.50 ! 61.70
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    1.24  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    0.46  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )    0.59  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )    0.82  0.50 ! -91.32
  !!   D52
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    0.79  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )    0.74  0.50 ! -101.53
  !!   L56
  !!   S57
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    0.45  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    0.72  0.50 ! -100.41
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )    0.51  0.50 ! 44.85
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )    0.47  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    1.06  0.50 ! -102.36
  !!   K63
  !!   E64
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )    0.52  0.50 ! -71.10
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )    1.12  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    0.82  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    1.04  0.50 ! -107.91
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )    0.79  0.50 ! -107.00
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    1.67  0.50 ! -119.25
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )    0.70  0.50 ! -93.43
  !!   R72
 assign (resid  71 and name c ) (resid  72 and name n )
        (resid  72 and name ca) (resid  72 and name c )    0.96  0.50 ! -117.60
  !!   L73
 assign (resid  72 and name c ) (resid  73 and name n )
        (resid  73 and name ca) (resid  73 and name c )    0.77  0.50 ! -83.70
  !!   R74
 assign (resid  73 and name c ) (resid  74 and name n )
        (resid  74 and name ca) (resid  74 and name c )    0.95  0.50 ! -97.70
  !!   G75
 assign (resid  74 and name c ) (resid  75 and name n )
        (resid  75 and name ca) (resid  75 and name c )    0.84  0.50 ! 120.40
  !!   G76
 assign (resid  75 and name c ) (resid  76 and name n )
        (resid  76 and name ca) (resid  76 and name c )    1.22  0.50 ! 174.20
 
!!!
!!! ../xplor.845/coha_coup.tbl
!!!
 


!remark coha, phi coupling
!remark theta = +120  
!remark     A = +3.72 
!remark     B = -2.18 
!remark     C = +1.28 
!remark  rmsd = +0.24 

coefficients 3.72 -2.18 1.28 120 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    2.59  0.50 ! -91.00
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )    2.98  0.50 ! -135.87
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )    3.14  0.50 ! -110.29
  !!   V5
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )    2.29  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )    2.42  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    1.43  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    2.32  0.50 ! -97.33
  !!   G10
  !!   K11
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    2.87  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    2.57  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )    2.42  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    3.02  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    3.08  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    2.66  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    2.77  0.50 ! -109.62
  !!   P19
 assign (resid  18 and name c ) (resid  19 and name n )
        (resid  19 and name ca) (resid  19 and name c )    1.22  0.50 ! -54.90
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )    2.16  0.50 ! -83.83
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )    1.46  0.50 ! -71.00
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )    1.65  0.50 ! -82.90
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )    1.52  0.50 ! -61.34
  !!   E24
 assign (resid  23 and name c ) (resid  24 and name n )
        (resid  24 and name ca) (resid  24 and name c )    0.82  0.50 ! -57.60
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )    1.46  0.50 ! -68.63
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    1.30  0.50 ! -69.93
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )    1.02  0.50 ! -63.22
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )    0.98  0.50 ! -61.23
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )    1.54  0.50 ! -68.76
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    0.99  0.50 ! -68.72
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )    0.76  0.50 ! -59.99
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    1.06  0.50 ! -55.26
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )    1.98  0.50 ! -83.74
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )    2.89  0.50 ! -108.28
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )    2.12  0.50 ! -86.66
  !!   P37
 assign (resid  36 and name c ) (resid  37 and name n )
        (resid  37 and name ca) (resid  37 and name c )    1.71  0.50 ! -57.00
  !!   P38
 assign (resid  37 and name c ) (resid  38 and name n )
        (resid  38 and name ca) (resid  38 and name c )    1.06  0.50 ! -57.20
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )    1.65  0.50 ! -69.07
  !!   Q40
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )    2.20  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    2.81  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    2.54  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )    3.01  0.50 ! -112.89
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )    2.57  0.50 ! -141.07
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    7.12  0.50 ! 41.03
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    2.31  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    1.61  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )    2.02  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )    2.30  0.50 ! -91.32
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )    0.90  0.50 ! -45.48
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    2.13  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )    3.11  0.50 ! -101.53
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )    0.56  0.50 ! -53.00
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )    1.17  0.50 ! -57.85
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    1.36  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    2.41  0.50 ! -100.41
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )    6.49  0.50 ! 44.85
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )    1.56  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    2.79  0.50 ! -102.36
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )    1.05  0.50 ! -45.66
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )    7.17  0.50 ! 61.04
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )    1.26  0.50 ! -71.10
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )    3.07  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    1.92  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    2.85  0.50 ! -107.91
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )    2.56  0.50 ! -107.00
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    2.87  0.50 ! -119.25
  !!   L71
  !!   R72
 assign (resid  71 and name c ) (resid  72 and name n )
        (resid  72 and name ca) (resid  72 and name c )    2.33  0.50 ! -117.60
  !!   L73
 assign (resid  72 and name c ) (resid  73 and name n )
        (resid  73 and name ca) (resid  73 and name c )    2.11  0.50 ! -83.70
  !!   R74
 assign (resid  73 and name c ) (resid  74 and name n )
        (resid  74 and name ca) (resid  74 and name c )    2.44  0.50 ! -97.70
  !!   G75
  !!   G76
 
!!!
!!! ../xplor.845/hncb_coup.tbl
!!!
 


!remark hncb, phi coupling
!remark theta = +60   
!remark     A = +3.06 
!remark     B = -0.74 
!remark     C = +0.13 
!remark  rmsd = +0.21 

coefficients 3.06 -0.74 0.13 60 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    1.52  0.50 ! -91.00
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )   -0.24  0.50 ! -135.87
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )    0.85  0.50 ! -110.29
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )    0.10  0.50 ! -124.80
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )    1.43  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )    1.74  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    2.15  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    1.26  0.50 ! -97.33
  !!   G10
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )    2.00  0.50 ! -84.77
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    0.62  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    1.17  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )    1.14  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    0.35  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    0.93  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    0.09  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    0.86  0.50 ! -109.62
  !!   P19
  !!   S20
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )    2.25  0.50 ! -71.00
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )    2.05  0.50 ! -82.90
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )    2.75  0.50 ! -61.34
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )    2.34  0.50 ! -68.63
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    2.65  0.50 ! -69.93
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )    2.55  0.50 ! -63.22
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )    2.92  0.50 ! -61.23
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )    2.40  0.50 ! -68.76
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    2.67  0.50 ! -68.72
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )    2.79  0.50 ! -59.99
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    2.57  0.50 ! -55.26
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )    2.04  0.50 ! -83.74
  !!   E34
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )    1.86  0.50 ! -86.66
  !!   P37
  !!   P38
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )    2.19  0.50 ! -69.07
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )    1.27  0.50 ! -106.65
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )    1.44  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    0.20  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    0.99  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )    0.92  0.50 ! -112.89
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )    0.04  0.50 ! -141.07
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    0.27  0.50 ! 41.03
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    0.96  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    2.08  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )    1.89  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )    1.80  0.50 ! -91.32
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )    2.38  0.50 ! -45.48
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    1.39  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )    1.60  0.50 ! -101.53
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )    2.25  0.50 ! -53.00
  !!   S57
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    2.48  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    1.49  0.50 ! -100.41
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )    0.80  0.50 ! 44.85
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )    2.08  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    1.01  0.50 ! -102.36
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )    2.34  0.50 ! -45.66
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )    1.35  0.50 ! 61.04
  !!   S65
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )    1.34  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    0.86  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    0.87  0.50 ! -107.91
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )    1.17  0.50 ! -107.00
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    0.39  0.50 ! -119.25
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )    1.60  0.50 ! -93.43
  !!   R72
  !!   L73
 assign (resid  72 and name c ) (resid  73 and name n )
        (resid  73 and name ca) (resid  73 and name c )    1.39  0.50 ! -83.70
  !!   R74
 assign (resid  73 and name c ) (resid  74 and name n )
        (resid  74 and name ca) (resid  74 and name c )    1.45  0.50 ! -97.70
  !!   G75
  !!   G76
 
!!!
!!! ../xplor.845/hnco_coup.tbl
!!!
 


!remark hnco, phi coupling
!remark theta = 180   
!remark     A = +4.29 
!remark     B = -1.01 
!remark     C = +0.00 
!remark  rmsd = +0.32 

coefficients 4.29 -1.01 0.00 180 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    0.08  0.50 ! -91.00
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )    1.88  0.50 ! -135.87
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )   -0.13  0.50 ! -110.29
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )    0.71  0.50 ! -124.80
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )   -0.06  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )   -0.04  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    1.59  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    0.11  0.50 ! -97.33
  !!   G10
 assign (resid   9 and name c ) (resid  10 and name n )
        (resid  10 and name ca) (resid  10 and name c )    0.14  0.50 ! 77.40
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )    0.31  0.50 ! -84.77
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    0.35  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    0.31  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )   -0.14  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    0.78  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    0.40  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    1.46  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    0.43  0.50 ! -109.62
  !!   P19
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )    0.18  0.50 ! -83.83
  !!   D21
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )    0.01  0.50 ! -82.90
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )    1.54  0.50 ! -61.34
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )    0.67  0.50 ! -68.63
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    0.56  0.50 ! -69.93
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )    1.00  0.50 ! -63.22
  !!   A28
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )    0.80  0.50 ! -68.76
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    0.66  0.50 ! -68.72
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )    1.19  0.50 ! -59.99
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    1.72  0.50 ! -55.26
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )    0.26  0.50 ! -83.74
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )   -0.05  0.50 ! -108.28
  !!   G35
 assign (resid  34 and name c ) (resid  35 and name n )
        (resid  35 and name ca) (resid  35 and name c )    0.99  0.50 ! 81.20
  !!   I36
  !!   P37
  !!   P38
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )    1.15  0.50 ! -69.07
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )    0.59  0.50 ! -106.65
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )   -0.19  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    1.52  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    0.25  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )    0.09  0.50 ! -112.89
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )    1.67  0.50 ! -141.07
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    3.58  0.50 ! 41.03
  !!   G47
 assign (resid  46 and name c ) (resid  47 and name n )
        (resid  47 and name ca) (resid  47 and name c )    0.98  0.50 ! 61.70
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    0.11  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    0.05  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )   -0.02  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )   -0.07  0.50 ! -91.32
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )    2.92  0.50 ! -45.48
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    0.19  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )   -0.33  0.50 ! -101.53
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )    1.94  0.50 ! -53.00
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )    1.88  0.50 ! -57.85
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    1.56  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    0.07  0.50 ! -100.41
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )    2.52  0.50 ! 44.85
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )   -0.11  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    0.19  0.50 ! -102.36
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )    2.62  0.50 ! -45.66
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )    1.63  0.50 ! 61.04
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )    0.74  0.50 ! -71.10
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )   -0.40  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    0.15  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    0.36  0.50 ! -107.91
  !!   L69
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    0.83  0.50 ! -119.25
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )    0.12  0.50 ! -93.43
  !!   R72
  !!   L73
  !!   R74
  !!   G75
  !!   G76
 
!!!
!!! ../xplor.845/hnha_coup.tbl
!!!
 


!remark hnha, phi coupling
!remark theta = -60   
!remark     A = +7.09 
!remark     B = -1.42 
!remark     C = +1.55 
!remark  rmsd = +0.39 

coefficients 7.09 -1.42 1.55 -60 

  !!   M1
  !!   Q2
 assign (resid   1 and name c ) (resid   2 and name n )
        (resid   2 and name ca) (resid   2 and name c )    8.31  0.50 ! -91.00
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )    9.27  0.50 ! -135.87
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )   10.04  0.50 ! -110.29
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )   10.00  0.50 ! -124.80
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )    9.30  0.50 ! -98.69
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )    8.93  0.50 ! -95.25
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )    4.15  0.50 ! -61.98
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )    8.63  0.50 ! -97.33
  !!   G10
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )    7.26  0.50 ! -84.77
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )    9.67  0.50 ! -111.54
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )    9.91  0.50 ! -107.34
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )    9.62  0.50 ! -102.45
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )    9.95  0.50 ! -125.92
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )    9.77  0.50 ! -113.03
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )    9.82  0.50 ! -134.79
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )    9.55  0.50 ! -109.62
  !!   P19
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )    7.62  0.50 ! -83.83
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )    5.52  0.50 ! -71.00
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )    7.57  0.50 ! -82.90
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )    3.94  0.50 ! -61.34
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )    5.50  0.50 ! -68.63
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )    5.72  0.50 ! -69.93
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )    4.28  0.50 ! -63.22
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )    4.57  0.50 ! -61.23
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )    5.55  0.50 ! -68.76
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )    5.77  0.50 ! -68.72
  !!   Q31
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )    3.82  0.50 ! -55.26
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )    7.13  0.50 ! -83.74
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )    9.54  0.50 ! -108.28
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )    7.98  0.50 ! -86.66
  !!   P37
  !!   P38
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )    5.15  0.50 ! -69.07
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )    9.45  0.50 ! -106.65
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )    8.41  0.50 ! -94.10
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )    9.81  0.50 ! -131.01
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )    9.66  0.50 ! -103.60
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )   10.27  0.50 ! -112.89
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )    8.73  0.50 ! -141.07
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )    6.47  0.50 ! 41.03
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )    9.41  0.50 ! -103.14
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )    6.97  0.50 ! -80.65
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )    7.11  0.50 ! -83.22
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )    8.06  0.50 ! -91.32
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )    2.48  0.50 ! -45.48
  !!   G53
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )    9.59  0.50 ! -99.18
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )    9.20  0.50 ! -101.53
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )    3.70  0.50 ! -53.00
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )    3.69  0.50 ! -57.85
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )    4.13  0.50 ! -60.71
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )    9.45  0.50 ! -100.41
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )    7.26  0.50 ! 44.85
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )    7.34  0.50 ! -81.44
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )    9.01  0.50 ! -102.36
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )    2.36  0.50 ! -45.66
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )    7.19  0.50 ! 61.04
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )    5.63  0.50 ! -71.10
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )    9.82  0.50 ! -104.73
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )    9.88  0.50 ! -102.68
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )    9.70  0.50 ! -107.91
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )    9.59  0.50 ! -107.00
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )    9.88  0.50 ! -119.25
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )    8.30  0.50 ! -93.43
  !!   R72
  !!   L73
 assign (resid  72 and name c ) (resid  73 and name n )
        (resid  73 and name ca) (resid  73 and name c )    7.52  0.50 ! -83.70
  !!   R74
 assign (resid  73 and name c ) (resid  74 and name n )
        (resid  74 and name ca) (resid  74 and name c )    6.67  0.50 ! -97.70
  !!   G75
  !!   G76




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  52.721 -91.019   8.328
    2   2H    MET   1           HT2      MET   1  53.581 -89.933   9.311
    3   3H    MET   1           HT3      MET   1  53.352 -89.592   7.663
    4    HA   MET   1           HA       MET   1  51.073 -89.904   9.519
    5   1HB   MET   1           HB2      MET   1  51.058 -87.421   9.674
    6   2HB   MET   1           HB1      MET   1  52.492 -88.123  10.416
    7   1HG   MET   1           HG2      MET   1  53.746 -87.700   8.302
    8   2HG   MET   1           HG1      MET   1  52.319 -86.887   7.657
    9   1HE   MET   1           HE1      MET   1  53.985 -84.956   7.185
   10   2HE   MET   1           HE2      MET   1  53.745 -83.555   8.228
   11   3HE   MET   1           HE3      MET   1  52.348 -84.415   7.585
   12    H    GLN   2           HN       GLN   2  49.145 -89.006   8.595
   13    HA   GLN   2           HA       GLN   2  49.139 -89.125   5.657
   14   1HB   GLN   2           HB2      GLN   2  46.917 -89.186   7.706
   15   2HB   GLN   2           HB1      GLN   2  46.635 -89.130   5.967
   16   1HG   GLN   2           HG2      GLN   2  48.299 -91.263   7.324
   17   2HG   GLN   2           HG1      GLN   2  46.586 -91.446   6.948
   18   1HE2  GLN   2          HE21      GLN   2  48.591 -93.132   5.767
   19   2HE2  GLN   2          HE22      GLN   2  48.617 -92.806   4.103
   20    H    ILE   3           HN       ILE   3  48.474 -87.484   4.379
   21    HA   ILE   3           HA       ILE   3  47.659 -84.929   5.597
   22    HB   ILE   3           HB       ILE   3  49.063 -83.696   4.043
   23   1HG1  ILE   3          HG12      ILE   3  50.333 -86.346   3.282
   24   2HG1  ILE   3          HG11      ILE   3  49.112 -85.558   2.286
   25   1HG2  ILE   3          HG21      ILE   3  49.966 -84.264   6.253
   26   2HG2  ILE   3          HG22      ILE   3  51.254 -84.240   5.049
   27   3HG2  ILE   3          HG23      ILE   3  50.606 -85.779   5.617
   28   1HD1  ILE   3          HD11      ILE   3  50.497 -83.746   1.779
   29   2HD1  ILE   3          HD12      ILE   3  51.627 -85.097   1.777
   30   3HD1  ILE   3          HD13      ILE   3  51.543 -84.021   3.172
   31    H    PHE   4           HN       PHE   4  46.627 -83.490   3.877
   32    HA   PHE   4           HA       PHE   4  45.211 -85.139   1.863
   33   1HB   PHE   4           HB2      PHE   4  44.062 -82.911   3.556
   34   2HB   PHE   4           HB1      PHE   4  43.215 -83.743   2.266
   35    HD1  PHE   4           HD1      PHE   4  42.826 -86.243   2.453
   36    HD2  PHE   4           HD2      PHE   4  44.224 -83.857   5.739
   37    HE1  PHE   4           HE1      PHE   4  42.149 -88.027   4.036
   38    HE2  PHE   4           HE2      PHE   4  43.547 -85.644   7.322
   39    HZ   PHE   4           HZ       PHE   4  42.510 -87.728   6.470
   40    H    VAL   5           HN       VAL   5  44.968 -84.271  -0.153
   41    HA   VAL   5           HA       VAL   5  45.928 -81.496  -0.592
   42    HB   VAL   5           HB       VAL   5  46.263 -83.826  -2.504
   43   1HG1  VAL   5          HG11      VAL   5  46.027 -81.672  -3.638
   44   2HG1  VAL   5          HG12      VAL   5  47.721 -82.156  -3.693
   45   3HG1  VAL   5          HG13      VAL   5  47.192 -80.931  -2.540
   46   1HG2  VAL   5          HG21      VAL   5  47.743 -83.979  -0.484
   47   2HG2  VAL   5          HG22      VAL   5  48.352 -82.364  -0.845
   48   3HG2  VAL   5          HG23      VAL   5  48.650 -83.691  -1.969
   49    H    LYS   6           HN       LYS   6  44.362 -80.231  -1.409
   50    HA   LYS   6           HA       LYS   6  41.993 -81.514  -2.625
   51   1HB   LYS   6           HB2      LYS   6  42.452 -78.954  -1.150
   52   2HB   LYS   6           HB1      LYS   6  41.191 -78.977  -2.388
   53   1HG   LYS   6           HG2      LYS   6  40.160 -80.937  -1.281
   54   2HG   LYS   6           HG1      LYS   6  41.419 -80.910  -0.042
   55   1HD   LYS   6           HD2      LYS   6  40.722 -78.652   0.619
   56   2HD   LYS   6           HD1      LYS   6  39.468 -78.678  -0.621
   57   1HE   LYS   6           HE2      LYS   6  38.622 -79.267   1.673
   58   2HE   LYS   6           HE1      LYS   6  38.349 -80.533   0.475
   59   1HZ   LYS   6           HZ1      LYS   6  39.993 -81.846   1.354
   60   2HZ   LYS   6           HZ2      LYS   6  39.373 -81.123   2.761
   61   3HZ   LYS   6           HZ3      LYS   6  40.816 -80.549   2.072
   62    H    THR   7           HN       THR   7  41.280 -81.028  -4.655
   63    HA   THR   7           HA       THR   7  43.208 -79.632  -6.383
   64    HB   THR   7           HB       THR   7  42.277 -80.836  -8.223
   65    HG1  THR   7           HG1      THR   7  40.404 -81.948  -8.079
   66   1HG2  THR   7          HG21      THR   7  43.829 -82.162  -6.973
   67   2HG2  THR   7          HG22      THR   7  42.494 -83.209  -7.454
   68   3HG2  THR   7          HG23      THR   7  42.589 -82.606  -5.800
   69    H    LEU   8           HN       LEU   8  42.315 -78.497  -8.215
   70    HA   LEU   8           HA       LEU   8  40.631 -76.361  -7.385
   71   1HB   LEU   8           HB2      LEU   8  41.362 -77.218 -10.194
   72   2HB   LEU   8           HB1      LEU   8  40.698 -75.651  -9.735
   73    HG   LEU   8           HG       LEU   8  43.301 -76.794  -8.713
   74   1HD1  LEU   8          HD11      LEU   8  42.848 -74.552 -10.700
   75   2HD1  LEU   8          HD12      LEU   8  43.287 -76.199 -11.152
   76   3HD1  LEU   8          HD13      LEU   8  44.400 -75.220 -10.196
   77   1HD2  LEU   8          HD21      LEU   8  43.540 -74.221  -8.134
   78   2HD2  LEU   8          HD22      LEU   8  42.636 -75.276  -7.054
   79   3HD2  LEU   8          HD23      LEU   8  41.778 -74.244  -8.199
   80    H    THR   9           HN       THR   9  39.856 -79.489  -8.657
   81    HA   THR   9           HA       THR   9  37.187 -78.591  -9.495
   82    HB   THR   9           HB       THR   9  36.900 -80.795 -10.464
   83    HG1  THR   9           HG1      THR   9  37.905 -82.066  -8.967
   84   1HG2  THR   9          HG21      THR   9  38.155 -79.238 -11.840
   85   2HG2  THR   9          HG22      THR   9  38.886 -80.835 -12.004
   86   3HG2  THR   9          HG23      THR   9  39.646 -79.618 -10.978
   87    H    GLY  10           HN       GLY  10  38.494 -79.371  -6.636
   88   1HA   GLY  10           HA2      GLY  10  37.218 -79.452  -4.655
   89   2HA   GLY  10           HA1      GLY  10  35.842 -80.027  -5.583
   90    H    LYS  11           HN       LYS  11  38.770 -81.680  -6.246
   91    HA   LYS  11           HA       LYS  11  37.716 -84.050  -4.890
   92   1HB   LYS  11           HB2      LYS  11  38.622 -84.133  -7.251
   93   2HB   LYS  11           HB1      LYS  11  40.214 -83.833  -6.576
   94   1HG   LYS  11           HG2      LYS  11  40.027 -85.855  -5.179
   95   2HG   LYS  11           HG1      LYS  11  38.423 -86.168  -5.844
   96   1HD   LYS  11           HD2      LYS  11  39.394 -86.337  -8.109
   97   2HD   LYS  11           HD1      LYS  11  40.999 -86.035  -7.442
   98   1HE   LYS  11           HE2      LYS  11  40.655 -88.446  -7.750
   99   2HE   LYS  11           HE1      LYS  11  40.778 -88.064  -6.033
  100   1HZ   LYS  11           HZ1      LYS  11  38.140 -88.088  -7.328
  101   2HZ   LYS  11           HZ2      LYS  11  38.545 -88.379  -5.704
  102   3HZ   LYS  11           HZ3      LYS  11  38.860 -89.559  -6.886
  103    H    THR  12           HN       THR  12  38.876 -85.140  -3.197
  104    HA   THR  12           HA       THR  12  41.212 -83.645  -2.100
  105    HB   THR  12           HB       THR  12  39.141 -85.246  -0.557
  106    HG1  THR  12           HG1      THR  12  38.735 -83.102   0.295
  107   1HG2  THR  12          HG21      THR  12  40.374 -84.215   1.400
  108   2HG2  THR  12          HG22      THR  12  41.612 -83.687   0.262
  109   3HG2  THR  12          HG23      THR  12  41.313 -85.408   0.502
  110    H    ILE  13           HN       ILE  13  43.077 -84.791  -2.022
  111    HA   ILE  13           HA       ILE  13  42.931 -87.747  -2.315
  112    HB   ILE  13           HB       ILE  13  45.444 -86.158  -2.867
  113   1HG1  ILE  13          HG12      ILE  13  43.094 -86.545  -4.744
  114   2HG1  ILE  13          HG11      ILE  13  43.787 -85.016  -4.203
  115   1HG2  ILE  13          HG21      ILE  13  46.001 -88.040  -4.236
  116   2HG2  ILE  13          HG22      ILE  13  44.345 -88.644  -4.202
  117   3HG2  ILE  13          HG23      ILE  13  45.336 -88.707  -2.745
  118   1HD1  ILE  13          HD11      ILE  13  45.058 -87.073  -6.020
  119   2HD1  ILE  13          HD12      ILE  13  45.970 -85.759  -5.275
  120   3HD1  ILE  13          HD13      ILE  13  44.657 -85.397  -6.397
  121    H    THR  14           HN       THR  14  43.971 -89.039  -0.846
  122    HA   THR  14           HA       THR  14  45.200 -87.685   1.478
  123    HB   THR  14           HB       THR  14  44.079 -90.497   1.235
  124    HG1  THR  14           HG1      THR  14  42.307 -89.368   1.430
  125   1HG2  THR  14          HG21      THR  14  45.335 -88.928   3.482
  126   2HG2  THR  14          HG22      THR  14  45.736 -90.547   2.909
  127   3HG2  THR  14          HG23      THR  14  44.237 -90.273   3.793
  128    H    LEU  15           HN       LEU  15  47.340 -88.006   1.879
  129    HA   LEU  15           HA       LEU  15  48.753 -90.118   0.333
  130   1HB   LEU  15           HB2      LEU  15  49.750 -87.329   0.950
  131   2HB   LEU  15           HB1      LEU  15  50.640 -88.575   0.089
  132    HG   LEU  15           HG       LEU  15  47.966 -87.481  -0.833
  133   1HD1  LEU  15          HD11      LEU  15  49.321 -86.229  -2.515
  134   2HD1  LEU  15          HD12      LEU  15  50.784 -86.734  -1.671
  135   3HD1  LEU  15          HD13      LEU  15  49.618 -85.686  -0.864
  136   1HD2  LEU  15          HD21      LEU  15  48.933 -88.457  -3.050
  137   2HD2  LEU  15          HD22      LEU  15  48.293 -89.589  -1.863
  138   3HD2  LEU  15          HD23      LEU  15  50.035 -89.352  -2.005
  139    H    GLU  16           HN       GLU  16  50.554 -91.068   1.358
  140    HA   GLU  16           HA       GLU  16  50.661 -90.653   4.291
  141   1HB   GLU  16           HB2      GLU  16  50.263 -93.008   3.553
  142   2HB   GLU  16           HB1      GLU  16  51.756 -92.954   2.621
  143   1HG   GLU  16           HG2      GLU  16  53.037 -92.532   4.688
  144   2HG   GLU  16           HG1      GLU  16  51.543 -92.584   5.622
  145    H    VAL  17           HN       VAL  17  52.343 -89.474   5.015
  146    HA   VAL  17           HA       VAL  17  54.858 -89.442   3.464
  147    HB   VAL  17           HB       VAL  17  54.971 -86.986   3.720
  148   1HG1  VAL  17          HG11      VAL  17  53.528 -86.474   1.900
  149   2HG1  VAL  17          HG12      VAL  17  52.378 -87.730   2.357
  150   3HG1  VAL  17          HG13      VAL  17  53.948 -88.173   1.687
  151   1HG2  VAL  17          HG21      VAL  17  52.163 -87.377   4.798
  152   2HG2  VAL  17          HG22      VAL  17  52.826 -85.815   4.319
  153   3HG2  VAL  17          HG23      VAL  17  53.545 -86.703   5.661
  154    H    GLU  18           HN       GLU  18  56.588 -88.321   4.624
  155    HA   GLU  18           HA       GLU  18  56.405 -88.676   7.556
  156   1HB   GLU  18           HB2      GLU  18  58.754 -89.143   5.688
  157   2HB   GLU  18           HB1      GLU  18  58.887 -89.120   7.444
  158   1HG   GLU  18           HG2      GLU  18  56.917 -90.928   6.037
  159   2HG   GLU  18           HG1      GLU  18  58.589 -91.420   6.299
  160    HA   PRO  19           HA       PRO  19  57.290 -84.336   7.638
  161   1HB   PRO  19           HB2      PRO  19  59.319 -84.680   9.795
  162   2HB   PRO  19           HB1      PRO  19  57.843 -83.690   9.774
  163   1HG   PRO  19           HG2      PRO  19  57.958 -85.980  11.179
  164   2HG   PRO  19           HG1      PRO  19  56.484 -85.463  10.346
  165   1HD   PRO  19           HD2      PRO  19  58.466 -87.574   9.487
  166   2HD   PRO  19           HD1      PRO  19  56.685 -87.559   9.383
  167    H    SER  20           HN       SER  20  59.941 -86.591   7.407
  168    HA   SER  20           HA       SER  20  61.858 -84.586   6.546
  169   1HB   SER  20           HB2      SER  20  63.312 -86.609   6.154
  170   2HB   SER  20           HB1      SER  20  62.768 -86.375   7.812
  171    HG   SER  20           HG       SER  20  61.228 -87.914   6.036
  172    H    ASP  21           HN       ASP  21  59.286 -86.018   4.972
  173    HA   ASP  21           HA       ASP  21  60.549 -86.689   2.487
  174   1HB   ASP  21           HB2      ASP  21  57.706 -86.124   3.330
  175   2HB   ASP  21           HB1      ASP  21  58.125 -86.359   1.634
  176    H    THR  22           HN       THR  22  60.799 -85.451   0.712
  177    HA   THR  22           HA       THR  22  60.878 -82.576   1.087
  178    HB   THR  22           HB       THR  22  61.957 -82.511  -1.075
  179    HG1  THR  22           HG1      THR  22  61.151 -85.200  -1.089
  180   1HG2  THR  22          HG21      THR  22  63.419 -82.950   0.801
  181   2HG2  THR  22          HG22      THR  22  63.950 -83.928  -0.567
  182   3HG2  THR  22          HG23      THR  22  63.036 -84.671   0.746
  183    H    ILE  23           HN       ILE  23  59.923 -81.123  -0.415
  184    HA   ILE  23           HA       ILE  23  57.203 -81.671  -1.034
  185    HB   ILE  23           HB       ILE  23  59.091 -79.521  -1.972
  186   1HG1  ILE  23          HG12      ILE  23  58.720 -79.469   0.413
  187   2HG1  ILE  23          HG11      ILE  23  57.885 -78.115  -0.319
  188   1HG2  ILE  23          HG21      ILE  23  57.356 -79.608  -3.604
  189   2HG2  ILE  23          HG22      ILE  23  56.952 -78.276  -2.522
  190   3HG2  ILE  23          HG23      ILE  23  56.118 -79.821  -2.366
  191   1HD1  ILE  23          HD11      ILE  23  56.749 -80.595   0.901
  192   2HD1  ILE  23          HD12      ILE  23  55.836 -79.781  -0.367
  193   3HD1  ILE  23          HD13      ILE  23  56.254 -78.924   1.115
  194    H    GLU  24           HN       GLU  24  60.164 -81.782  -2.985
  195    HA   GLU  24           HA       GLU  24  58.918 -82.264  -5.477
  196   1HB   GLU  24           HB2      GLU  24  61.334 -81.732  -5.260
  197   2HB   GLU  24           HB1      GLU  24  61.599 -83.282  -4.469
  198   1HG   GLU  24           HG2      GLU  24  60.837 -84.463  -6.487
  199   2HG   GLU  24           HG1      GLU  24  60.525 -82.921  -7.282
  200    H    ASN  25           HN       ASN  25  59.841 -84.377  -2.792
  201    HA   ASN  25           HA       ASN  25  59.243 -86.829  -4.129
  202   1HB   ASN  25           HB2      ASN  25  59.302 -86.123  -1.190
  203   2HB   ASN  25           HB1      ASN  25  59.031 -87.758  -1.799
  204   1HD2  ASN  25          HD21      ASN  25  61.112 -88.390  -0.749
  205   2HD2  ASN  25          HD22      ASN  25  62.583 -88.003  -1.501
  206    H    VAL  26           HN       VAL  26  57.337 -84.594  -2.150
  207    HA   VAL  26           HA       VAL  26  54.962 -86.175  -2.077
  208    HB   VAL  26           HB       VAL  26  55.356 -83.172  -1.873
  209   1HG1  VAL  26          HG11      VAL  26  53.050 -83.298  -0.781
  210   2HG1  VAL  26          HG12      VAL  26  52.911 -84.907  -1.491
  211   3HG1  VAL  26          HG13      VAL  26  53.090 -83.495  -2.533
  212   1HG2  VAL  26          HG21      VAL  26  54.696 -85.132   0.331
  213   2HG2  VAL  26          HG22      VAL  26  55.279 -83.475   0.484
  214   3HG2  VAL  26          HG23      VAL  26  56.359 -84.738  -0.103
  215    H    LYS  27           HN       LYS  27  56.074 -83.685  -4.383
  216    HA   LYS  27           HA       LYS  27  53.764 -83.641  -5.989
  217   1HB   LYS  27           HB2      LYS  27  56.678 -83.272  -6.734
  218   2HB   LYS  27           HB1      LYS  27  55.332 -82.999  -7.830
  219   1HG   LYS  27           HG2      LYS  27  54.539 -81.393  -5.761
  220   2HG   LYS  27           HG1      LYS  27  56.310 -81.282  -5.584
  221   1HD   LYS  27           HD2      LYS  27  56.327 -80.876  -8.128
  222   2HD   LYS  27           HD1      LYS  27  54.619 -80.514  -7.925
  223   1HE   LYS  27           HE2      LYS  27  56.856 -79.180  -6.376
  224   2HE   LYS  27           HE1      LYS  27  56.038 -78.477  -7.770
  225   1HZ   LYS  27           HZ1      LYS  27  55.186 -77.830  -5.490
  226   2HZ   LYS  27           HZ2      LYS  27  54.546 -79.400  -5.391
  227   3HZ   LYS  27           HZ3      LYS  27  54.029 -78.345  -6.618
  228    H    ALA  28           HN       ALA  28  56.635 -85.716  -5.972
  229    HA   ALA  28           HA       ALA  28  56.072 -87.124  -8.346
  230   1HB   ALA  28           HB1      ALA  28  58.279 -87.177  -7.242
  231   2HB   ALA  28           HB2      ALA  28  57.657 -88.800  -7.539
  232   3HB   ALA  28           HB3      ALA  28  57.585 -88.110  -5.917
  233    H    LYS  29           HN       LYS  29  55.053 -87.630  -5.011
  234    HA   LYS  29           HA       LYS  29  53.832 -90.165  -5.432
  235   1HB   LYS  29           HB2      LYS  29  53.352 -87.999  -3.371
  236   2HB   LYS  29           HB1      LYS  29  52.536 -89.560  -3.344
  237   1HG   LYS  29           HG2      LYS  29  54.721 -90.707  -3.242
  238   2HG   LYS  29           HG1      LYS  29  55.540 -89.144  -3.268
  239   1HD   LYS  29           HD2      LYS  29  54.399 -88.505  -1.175
  240   2HD   LYS  29           HD1      LYS  29  53.584 -90.067  -1.141
  241   1HE   LYS  29           HE2      LYS  29  56.560 -90.172  -1.369
  242   2HE   LYS  29           HE1      LYS  29  55.916 -89.600   0.169
  243   1HZ   LYS  29           HZ1      LYS  29  54.450 -91.602   0.147
  244   2HZ   LYS  29           HZ2      LYS  29  56.108 -91.938   0.305
  245   3HZ   LYS  29           HZ3      LYS  29  55.329 -92.171  -1.187
  246    H    ILE  30           HN       ILE  30  52.683 -86.814  -5.695
  247    HA   ILE  30           HA       ILE  30  49.936 -87.428  -6.250
  248    HB   ILE  30           HB       ILE  30  51.638 -84.997  -6.835
  249   1HG1  ILE  30          HG12      ILE  30  49.447 -85.631  -4.825
  250   2HG1  ILE  30          HG11      ILE  30  51.171 -85.492  -4.474
  251   1HG2  ILE  30          HG21      ILE  30  49.901 -85.029  -8.524
  252   2HG2  ILE  30          HG22      ILE  30  49.358 -83.915  -7.276
  253   3HG2  ILE  30          HG23      ILE  30  48.693 -85.544  -7.349
  254   1HD1  ILE  30          HD11      ILE  30  49.193 -83.339  -5.171
  255   2HD1  ILE  30          HD12      ILE  30  50.910 -83.095  -5.508
  256   3HD1  ILE  30          HD13      ILE  30  50.367 -83.386  -3.856
  257    H    GLN  31           HN       GLN  31  52.810 -87.041  -8.324
  258    HA   GLN  31           HA       GLN  31  51.496 -87.140 -10.809
  259   1HB   GLN  31           HB2      GLN  31  53.882 -86.564 -10.561
  260   2HB   GLN  31           HB1      GLN  31  54.225 -88.200  -9.998
  261   1HG   GLN  31           HG2      GLN  31  53.509 -89.102 -12.182
  262   2HG   GLN  31           HG1      GLN  31  53.119 -87.473 -12.733
  263   1HE2  GLN  31          HE21      GLN  31  54.889 -88.484 -14.390
  264   2HE2  GLN  31          HE22      GLN  31  56.486 -88.022 -14.048
  265    H    ASP  32           HN       ASP  32  52.790 -89.654  -8.722
  266    HA   ASP  32           HA       ASP  32  52.276 -91.858 -10.388
  267   1HB   ASP  32           HB2      ASP  32  53.686 -91.966  -8.369
  268   2HB   ASP  32           HB1      ASP  32  52.256 -91.755  -7.362
  269    H    LYS  33           HN       LYS  33  50.226 -90.254  -7.985
  270    HA   LYS  33           HA       LYS  33  48.074 -92.146  -8.306
  271   1HB   LYS  33           HB2      LYS  33  48.081 -89.454  -6.962
  272   2HB   LYS  33           HB1      LYS  33  46.865 -90.706  -6.746
  273   1HG   LYS  33           HG2      LYS  33  49.253 -92.056  -6.152
  274   2HG   LYS  33           HG1      LYS  33  49.498 -90.462  -5.446
  275   1HD   LYS  33           HD2      LYS  33  47.291 -90.676  -4.293
  276   2HD   LYS  33           HD1      LYS  33  47.170 -92.322  -4.918
  277   1HE   LYS  33           HE2      LYS  33  49.242 -92.937  -3.753
  278   2HE   LYS  33           HE1      LYS  33  49.414 -91.285  -3.163
  279   1HZ   LYS  33           HZ1      LYS  33  47.010 -92.921  -2.615
  280   2HZ   LYS  33           HZ2      LYS  33  47.503 -91.489  -1.844
  281   3HZ   LYS  33           HZ3      LYS  33  48.363 -92.933  -1.593
  282    H    GLU  34           HN       GLU  34  48.581 -88.779  -9.428
  283    HA   GLU  34           HA       GLU  34  45.950 -88.939 -10.788
  284   1HB   GLU  34           HB2      GLU  34  47.601 -86.608  -9.843
  285   2HB   GLU  34           HB1      GLU  34  46.119 -86.447 -10.789
  286   1HG   GLU  34           HG2      GLU  34  46.334 -88.042  -8.242
  287   2HG   GLU  34           HG1      GLU  34  45.822 -86.338  -8.230
  288    H    GLY  35           HN       GLY  35  49.287 -88.825 -11.622
  289   1HA   GLY  35           HA2      GLY  35  50.174 -89.062 -13.752
  290   2HA   GLY  35           HA1      GLY  35  48.573 -88.799 -14.436
  291    H    ILE  36           HN       ILE  36  49.401 -86.395 -12.216
  292    HA   ILE  36           HA       ILE  36  49.657 -84.417 -14.337
  293    HB   ILE  36           HB       ILE  36  49.782 -84.018 -11.349
  294   1HG1  ILE  36          HG12      ILE  36  47.282 -83.593 -12.995
  295   2HG1  ILE  36          HG11      ILE  36  47.650 -85.207 -12.399
  296   1HG2  ILE  36          HG21      ILE  36  48.852 -82.110 -13.509
  297   2HG2  ILE  36          HG22      ILE  36  50.530 -82.170 -12.979
  298   3HG2  ILE  36          HG23      ILE  36  49.258 -81.736 -11.839
  299   1HD1  ILE  36          HD11      ILE  36  47.831 -84.293 -10.091
  300   2HD1  ILE  36          HD12      ILE  36  46.229 -84.052 -10.787
  301   3HD1  ILE  36          HD13      ILE  36  47.368 -82.708 -10.709
  302    HA   PRO  37           HA       PRO  37  54.163 -84.879 -13.961
  303   1HB   PRO  37           HB2      PRO  37  54.304 -82.415 -15.637
  304   2HB   PRO  37           HB1      PRO  37  55.060 -83.997 -15.913
  305   1HG   PRO  37           HG2      PRO  37  52.943 -83.171 -17.341
  306   2HG   PRO  37           HG1      PRO  37  53.179 -84.871 -16.905
  307   1HD   PRO  37           HD2      PRO  37  51.275 -82.879 -15.701
  308   2HD   PRO  37           HD1      PRO  37  51.079 -84.626 -15.994
  309    HA   PRO  38           HA       PRO  38  54.781 -82.163 -10.441
  310   1HB   PRO  38           HB2      PRO  38  57.692 -82.366 -11.217
  311   2HB   PRO  38           HB1      PRO  38  56.947 -82.624  -9.629
  312   1HG   PRO  38           HG2      PRO  38  57.743 -84.675 -11.119
  313   2HG   PRO  38           HG1      PRO  38  56.258 -84.760 -10.149
  314   1HD   PRO  38           HD2      PRO  38  56.549 -84.470 -13.115
  315   2HD   PRO  38           HD1      PRO  38  55.277 -85.264 -12.156
  316    H    ASP  39           HN       ASP  39  56.364 -81.342 -13.512
  317    HA   ASP  39           HA       ASP  39  57.051 -78.718 -12.649
  318   1HB   ASP  39           HB2      ASP  39  56.832 -79.935 -15.401
  319   2HB   ASP  39           HB1      ASP  39  57.317 -78.247 -15.094
  320    H    GLN  40           HN       GLN  40  54.054 -80.071 -13.560
  321    HA   GLN  40           HA       GLN  40  52.937 -77.441 -14.307
  322   1HB   GLN  40           HB2      GLN  40  51.828 -80.243 -14.525
  323   2HB   GLN  40           HB1      GLN  40  50.888 -78.795 -14.880
  324   1HG   GLN  40           HG2      GLN  40  52.591 -78.113 -16.531
  325   2HG   GLN  40           HG1      GLN  40  53.463 -79.615 -16.247
  326   1HE2  GLN  40          HE21      GLN  40  52.115 -78.724 -18.779
  327   2HE2  GLN  40          HE22      GLN  40  50.988 -79.943 -19.139
  328    H    GLN  41           HN       GLN  41  53.482 -79.070 -11.547
  329    HA   GLN  41           HA       GLN  41  50.887 -78.365 -10.292
  330   1HB   GLN  41           HB2      GLN  41  53.074 -80.287  -9.567
  331   2HB   GLN  41           HB1      GLN  41  51.827 -79.831  -8.411
  332   1HG   GLN  41           HG2      GLN  41  50.107 -80.569 -10.052
  333   2HG   GLN  41           HG1      GLN  41  51.407 -81.105 -11.124
  334   1HE2  GLN  41          HE21      GLN  41  51.981 -83.252 -10.892
  335   2HE2  GLN  41          HE22      GLN  41  51.747 -84.174  -9.486
  336    H    ARG  42           HN       ARG  42  50.686 -77.011  -8.657
  337    HA   ARG  42           HA       ARG  42  53.076 -75.820  -7.392
  338   1HB   ARG  42           HB2      ARG  42  50.579 -74.423  -8.327
  339   2HB   ARG  42           HB1      ARG  42  51.666 -73.715  -7.139
  340   1HG   ARG  42           HG2      ARG  42  53.512 -73.878  -8.776
  341   2HG   ARG  42           HG1      ARG  42  52.392 -74.568  -9.953
  342   1HD   ARG  42           HD2      ARG  42  51.015 -72.530  -9.851
  343   2HD   ARG  42           HD1      ARG  42  52.122 -71.836  -8.670
  344    HE   ARG  42           HE       ARG  42  53.363 -72.630 -11.176
  345   1HH1  ARG  42          HH11      ARG  42  51.565 -70.180  -9.531
  346   2HH1  ARG  42          HH12      ARG  42  52.323 -68.864 -10.365
  347   1HH2  ARG  42          HH21      ARG  42  54.450 -70.901 -12.196
  348   2HH2  ARG  42          HH22      ARG  42  53.954 -69.273 -11.875
  349    H    LEU  43           HN       LEU  43  53.059 -76.183  -5.235
  350    HA   LEU  43           HA       LEU  43  50.503 -76.971  -3.963
  351   1HB   LEU  43           HB2      LEU  43  53.390 -77.547  -3.240
  352   2HB   LEU  43           HB1      LEU  43  52.005 -77.923  -2.214
  353    HG   LEU  43           HG       LEU  43  52.305 -78.946  -5.058
  354   1HD1  LEU  43          HD11      LEU  43  52.955 -81.097  -3.971
  355   2HD1  LEU  43          HD12      LEU  43  52.992 -80.271  -2.413
  356   3HD1  LEU  43          HD13      LEU  43  54.134 -79.818  -3.678
  357   1HD2  LEU  43          HD21      LEU  43  50.663 -80.696  -4.014
  358   2HD2  LEU  43          HD22      LEU  43  50.018 -79.119  -4.443
  359   3HD2  LEU  43          HD23      LEU  43  50.400 -79.483  -2.763
  360    H    ILE  44           HN       ILE  44  49.596 -75.783  -2.484
  361    HA   ILE  44           HA       ILE  44  51.131 -73.575  -1.231
  362    HB   ILE  44           HB       ILE  44  48.358 -73.637  -2.417
  363   1HG1  ILE  44          HG12      ILE  44  49.314 -71.175  -2.961
  364   2HG1  ILE  44          HG11      ILE  44  50.851 -71.981  -2.778
  365   1HG2  ILE  44          HG21      ILE  44  48.069 -71.344  -1.252
  366   2HG2  ILE  44          HG22      ILE  44  49.335 -71.891  -0.153
  367   3HG2  ILE  44          HG23      ILE  44  47.824 -72.792  -0.275
  368   1HD1  ILE  44          HD11      ILE  44  50.296 -73.602  -4.483
  369   2HD1  ILE  44          HD12      ILE  44  50.043 -71.981  -5.127
  370   3HD1  ILE  44          HD13      ILE  44  48.660 -72.953  -4.622
  371    H    PHE  45           HN       PHE  45  50.962 -73.316   0.896
  372    HA   PHE  45           HA       PHE  45  48.900 -74.770   2.402
  373   1HB   PHE  45           HB2      PHE  45  50.839 -76.252   2.469
  374   2HB   PHE  45           HB1      PHE  45  51.866 -74.925   3.006
  375    HD1  PHE  45           HD1      PHE  45  48.864 -76.939   3.926
  376    HD2  PHE  45           HD2      PHE  45  51.992 -74.336   5.304
  377    HE1  PHE  45           HE1      PHE  45  48.213 -77.399   6.276
  378    HE2  PHE  45           HE2      PHE  45  51.339 -74.795   7.651
  379    HZ   PHE  45           HZ       PHE  45  49.450 -76.326   8.137
  380    H    ALA  46           HN       ALA  46  48.000 -73.472   3.838
  381    HA   ALA  46           HA       ALA  46  47.519 -71.563   4.986
  382   1HB   ALA  46           HB1      ALA  46  48.933 -72.526   6.632
  383   2HB   ALA  46           HB2      ALA  46  49.394 -70.827   6.520
  384   3HB   ALA  46           HB3      ALA  46  50.391 -72.064   5.754
  385    H    GLY  47           HN       GLY  47  48.103 -71.091   2.275
  386   1HA   GLY  47           HA2      GLY  47  48.140 -69.140   1.008
  387   2HA   GLY  47           HA1      GLY  47  48.647 -68.273   2.440
  388    H    LYS  48           HN       LYS  48  50.871 -70.762   2.123
  389    HA   LYS  48           HA       LYS  48  52.695 -68.988   0.581
  390   1HB   LYS  48           HB2      LYS  48  53.450 -71.157   2.520
  391   2HB   LYS  48           HB1      LYS  48  54.511 -69.925   1.858
  392   1HG   LYS  48           HG2      LYS  48  53.190 -68.161   3.003
  393   2HG   LYS  48           HG1      LYS  48  52.152 -69.401   3.697
  394   1HD   LYS  48           HD2      LYS  48  55.152 -69.237   4.124
  395   2HD   LYS  48           HD1      LYS  48  53.950 -68.630   5.262
  396   1HE   LYS  48           HE2      LYS  48  52.971 -71.069   5.114
  397   2HE   LYS  48           HE1      LYS  48  54.580 -71.475   4.518
  398   1HZ   LYS  48           HZ1      LYS  48  54.640 -69.779   6.824
  399   2HZ   LYS  48           HZ2      LYS  48  55.456 -71.240   6.529
  400   3HZ   LYS  48           HZ3      LYS  48  53.865 -71.257   7.125
  401    H    GLN  49           HN       GLN  49  53.839 -69.760  -1.137
  402    HA   GLN  49           HA       GLN  49  53.046 -72.318  -2.268
  403   1HB   GLN  49           HB2      GLN  49  53.461 -70.169  -3.548
  404   2HB   GLN  49           HB1      GLN  49  55.183 -70.406  -3.256
  405   1HG   GLN  49           HG2      GLN  49  55.179 -72.515  -4.438
  406   2HG   GLN  49           HG1      GLN  49  53.422 -72.497  -4.569
  407   1HE2  GLN  49          HE21      GLN  49  56.378 -71.356  -6.028
  408   2HE2  GLN  49          HE22      GLN  49  55.651 -70.475  -7.284
  409    H    LEU  50           HN       LEU  50  54.143 -74.184  -1.994
  410    HA   LEU  50           HA       LEU  50  56.506 -74.192  -0.290
  411   1HB   LEU  50           HB2      LEU  50  55.062 -76.549  -1.520
  412   2HB   LEU  50           HB1      LEU  50  56.181 -76.554  -0.168
  413    HG   LEU  50           HG       LEU  50  53.527 -75.090  -0.211
  414   1HD1  LEU  50          HD11      LEU  50  54.321 -77.656   1.195
  415   2HD1  LEU  50          HD12      LEU  50  53.254 -77.547  -0.202
  416   3HD1  LEU  50          HD13      LEU  50  52.767 -76.846   1.338
  417   1HD2  LEU  50          HD21      LEU  50  54.864 -73.938   1.344
  418   2HD2  LEU  50          HD22      LEU  50  55.726 -75.394   1.823
  419   3HD2  LEU  50          HD23      LEU  50  54.074 -75.139   2.360
  420    H    GLU  51           HN       GLU  51  58.565 -74.649  -0.886
  421    HA   GLU  51           HA       GLU  51  59.115 -74.808  -3.754
  422   1HB   GLU  51           HB2      GLU  51  60.899 -74.328  -1.360
  423   2HB   GLU  51           HB1      GLU  51  61.514 -74.492  -3.007
  424   1HG   GLU  51           HG2      GLU  51  60.111 -72.638  -3.749
  425   2HG   GLU  51           HG1      GLU  51  59.466 -72.429  -2.126
  426    H    ASP  52           HN       ASP  52  60.437 -76.326  -4.743
  427    HA   ASP  52           HA       ASP  52  59.986 -78.989  -3.912
  428   1HB   ASP  52           HB2      ASP  52  61.689 -77.828  -6.111
  429   2HB   ASP  52           HB1      ASP  52  61.414 -79.548  -5.874
  430    H    GLY  53           HN       GLY  53  62.617 -76.859  -3.174
  431   1HA   GLY  53           HA2      GLY  53  64.419 -79.100  -2.543
  432   2HA   GLY  53           HA1      GLY  53  64.825 -77.390  -2.510
  433    H    ARG  54           HN       ARG  54  61.906 -77.752  -0.902
  434    HA   ARG  54           HA       ARG  54  63.288 -77.898   1.741
  435   1HB   ARG  54           HB2      ARG  54  60.693 -76.603   0.934
  436   2HB   ARG  54           HB1      ARG  54  61.312 -76.642   2.579
  437   1HG   ARG  54           HG2      ARG  54  62.538 -75.214   0.183
  438   2HG   ARG  54           HG1      ARG  54  61.804 -74.494   1.583
  439   1HD   ARG  54           HD2      ARG  54  63.576 -75.673   2.998
  440   2HD   ARG  54           HD1      ARG  54  64.428 -75.990   1.488
  441    HE   ARG  54           HE       ARG  54  64.157 -73.431   2.816
  442   1HH1  ARG  54          HH21      ARG  54  65.619 -75.259   0.350
  443   2HH1  ARG  54          HH22      ARG  54  66.100 -73.896  -0.603
  444   1HH2  ARG  54          HH11      ARG  54  64.414 -71.589   1.356
  445   2HH2  ARG  54          HH12      ARG  54  65.422 -71.821  -0.033
  446    H    THR  55           HN       THR  55  61.930 -78.777   3.555
  447    HA   THR  55           HA       THR  55  60.440 -81.178   2.662
  448    HB   THR  55           HB       THR  55  60.926 -82.169   4.806
  449    HG1  THR  55           HG1      THR  55  62.404 -79.817   5.372
  450   1HG2  THR  55          HG21      THR  55  62.629 -82.238   2.936
  451   2HG2  THR  55          HG22      THR  55  63.282 -82.502   4.553
  452   3HG2  THR  55          HG23      THR  55  63.482 -80.935   3.764
  453    H    LEU  56           HN       LEU  56  58.768 -81.972   4.152
  454    HA   LEU  56           HA       LEU  56  56.688 -80.096   4.573
  455   1HB   LEU  56           HB2      LEU  56  57.072 -82.802   5.868
  456   2HB   LEU  56           HB1      LEU  56  55.574 -81.879   5.868
  457    HG   LEU  56           HG       LEU  56  56.994 -82.848   3.372
  458   1HD1  LEU  56          HD11      LEU  56  54.698 -83.996   4.969
  459   2HD1  LEU  56          HD12      LEU  56  56.221 -84.778   4.549
  460   3HD1  LEU  56          HD13      LEU  56  55.024 -84.451   3.296
  461   1HD2  LEU  56          HD21      LEU  56  55.598 -80.978   2.799
  462   2HD2  LEU  56          HD22      LEU  56  54.343 -81.477   3.922
  463   3HD2  LEU  56          HD23      LEU  56  54.615 -82.390   2.441
  464    H    SER  57           HN       SER  57  59.031 -81.485   6.919
  465    HA   SER  57           HA       SER  57  57.842 -80.295   9.157
  466   1HB   SER  57           HB2      SER  57  59.978 -80.619  10.302
  467   2HB   SER  57           HB1      SER  57  59.493 -82.075   9.392
  468    HG   SER  57           HG       SER  57  61.593 -81.725   8.862
  469    H    ASP  58           HN       ASP  58  60.025 -78.961   6.784
  470    HA   ASP  58           HA       ASP  58  60.903 -76.714   8.249
  471   1HB   ASP  58           HB2      ASP  58  60.485 -77.113   5.279
  472   2HB   ASP  58           HB1      ASP  58  61.236 -75.686   5.962
  473    H    TYR  59           HN       TYR  59  57.895 -77.410   6.614
  474    HA   TYR  59           HA       TYR  59  56.953 -74.638   6.985
  475   1HB   TYR  59           HB2      TYR  59  55.863 -76.976   5.404
  476   2HB   TYR  59           HB1      TYR  59  54.959 -75.482   5.655
  477    HD1  TYR  59           HD1      TYR  59  56.004 -73.285   4.930
  478    HD2  TYR  59           HD2      TYR  59  57.565 -77.108   3.760
  479    HE1  TYR  59           HE1      TYR  59  57.241 -72.207   3.071
  480    HE2  TYR  59           HE2      TYR  59  58.787 -76.031   1.906
  481    HH   TYR  59           HH       TYR  59  58.552 -72.525   1.311
  482    H    ASN  60           HN       ASN  60  57.209 -77.021   9.006
  483    HA   ASN  60           HA       ASN  60  56.077 -77.871  10.773
  484   1HB   ASN  60           HB2      ASN  60  54.690 -75.193  10.596
  485   2HB   ASN  60           HB1      ASN  60  54.659 -76.268  11.993
  486   1HD2  ASN  60          HD21      ASN  60  56.091 -73.500  11.130
  487   2HD2  ASN  60          HD22      ASN  60  57.628 -73.703  11.820
  488    H    ILE  61           HN       ILE  61  55.043 -78.786   8.326
  489    HA   ILE  61           HA       ILE  61  52.134 -78.666   8.510
  490    HB   ILE  61           HB       ILE  61  54.008 -80.256   6.721
  491   1HG1  ILE  61          HG12      ILE  61  52.191 -77.896   6.144
  492   2HG1  ILE  61          HG11      ILE  61  53.923 -77.765   6.432
  493   1HG2  ILE  61          HG21      ILE  61  50.998 -79.932   6.535
  494   2HG2  ILE  61          HG22      ILE  61  51.806 -81.404   7.069
  495   3HG2  ILE  61          HG23      ILE  61  52.017 -80.833   5.416
  496   1HD1  ILE  61          HD11      ILE  61  54.375 -79.198   4.489
  497   2HD1  ILE  61          HD12      ILE  61  53.397 -77.810   4.010
  498   3HD1  ILE  61          HD13      ILE  61  52.643 -79.391   4.216
  499    H    GLN  62           HN       GLN  62  51.013 -79.880   9.849
  500    HA   GLN  62           HA       GLN  62  52.304 -82.206  11.124
  501   1HB   GLN  62           HB2      GLN  62  50.105 -80.319  11.996
  502   2HB   GLN  62           HB1      GLN  62  50.515 -81.788  12.884
  503   1HG   GLN  62           HG2      GLN  62  52.826 -81.005  13.152
  504   2HG   GLN  62           HG1      GLN  62  52.457 -79.556  12.220
  505   1HE2  GLN  62          HE21      GLN  62  51.762 -77.774  13.411
  506   2HE2  GLN  62          HE22      GLN  62  51.193 -77.841  15.008
  507    H    LYS  63           HN       LYS  63  50.766 -83.904  11.904
  508    HA   LYS  63           HA       LYS  63  49.627 -85.222   9.770
  509   1HB   LYS  63           HB2      LYS  63  48.351 -86.607  11.383
  510   2HB   LYS  63           HB1      LYS  63  50.058 -86.446  11.808
  511   1HG   LYS  63           HG2      LYS  63  49.447 -84.563  13.337
  512   2HG   LYS  63           HG1      LYS  63  47.748 -84.895  13.001
  513   1HD   LYS  63           HD2      LYS  63  48.024 -87.194  13.853
  514   2HD   LYS  63           HD1      LYS  63  49.725 -86.865  14.190
  515   1HE   LYS  63           HE2      LYS  63  49.154 -85.193  15.831
  516   2HE   LYS  63           HE1      LYS  63  47.451 -85.256  15.380
  517   1HZ   LYS  63           HZ1      LYS  63  47.617 -86.566  17.285
  518   2HZ   LYS  63           HZ2      LYS  63  49.059 -87.306  16.776
  519   3HZ   LYS  63           HZ3      LYS  63  47.589 -87.692  16.017
  520    H    GLU  64           HN       GLU  64  47.690 -85.420   8.851
  521    HA   GLU  64           HA       GLU  64  45.620 -84.864   8.079
  522   1HB   GLU  64           HB2      GLU  64  45.135 -83.857  10.884
  523   2HB   GLU  64           HB1      GLU  64  43.901 -83.996   9.641
  524   1HG   GLU  64           HG2      GLU  64  44.491 -86.431   9.429
  525   2HG   GLU  64           HG1      GLU  64  45.495 -86.256  10.879
  526    H    SER  65           HN       SER  65  47.858 -82.918   8.010
  527    HA   SER  65           HA       SER  65  46.543 -80.325   7.918
  528   1HB   SER  65           HB2      SER  65  49.213 -81.355   6.953
  529   2HB   SER  65           HB1      SER  65  48.674 -79.701   6.676
  530    HG   SER  65           HG       SER  65  49.917 -79.926   8.602
  531    H    THR  66           HN       THR  66  45.916 -79.229   6.022
  532    HA   THR  66           HA       THR  66  45.466 -80.976   3.664
  533    HB   THR  66           HB       THR  66  43.896 -78.548   4.584
  534    HG1  THR  66           HG1      THR  66  42.272 -80.213   4.861
  535   1HG2  THR  66          HG21      THR  66  43.787 -78.654   2.206
  536   2HG2  THR  66          HG22      THR  66  42.309 -79.428   2.778
  537   3HG2  THR  66          HG23      THR  66  43.661 -80.413   2.218
  538    H    LEU  67           HN       LEU  67  46.560 -80.454   1.915
  539    HA   LEU  67           HA       LEU  67  47.737 -77.748   1.641
  540   1HB   LEU  67           HB2      LEU  67  48.441 -80.241   0.077
  541   2HB   LEU  67           HB1      LEU  67  49.296 -78.708   0.084
  542    HG   LEU  67           HG       LEU  67  49.500 -79.214   2.708
  543   1HD1  LEU  67          HD11      LEU  67  48.228 -81.216   2.856
  544   2HD1  LEU  67          HD12      LEU  67  49.920 -81.678   3.003
  545   3HD1  LEU  67          HD13      LEU  67  49.068 -81.934   1.483
  546   1HD2  LEU  67          HD21      LEU  67  51.167 -80.529   0.551
  547   2HD2  LEU  67          HD22      LEU  67  51.658 -80.359   2.237
  548   3HD2  LEU  67          HD23      LEU  67  51.413 -78.923   1.242
  549    H    HIS  68           HN       HIS  68  47.609 -76.801  -0.490
  550    HA   HIS  68           HA       HIS  68  45.214 -77.659  -2.006
  551   1HB   HIS  68           HB2      HIS  68  46.471 -74.930  -1.615
  552   2HB   HIS  68           HB1      HIS  68  45.194 -75.252  -2.783
  553    HD1  HIS  68           HD1      HIS  68  45.865 -74.977   0.892
  554    HD2  HIS  68           HD2      HIS  68  42.622 -75.742  -1.614
  555    HE1  HIS  68           HE1      HIS  68  43.796 -74.846   2.342
  556    H    LEU  69           HN       LEU  69  45.473 -78.149  -4.115
  557    HA   LEU  69           HA       LEU  69  48.180 -77.874  -5.289
  558   1HB   LEU  69           HB2      LEU  69  47.272 -80.190  -5.122
  559   2HB   LEU  69           HB1      LEU  69  45.866 -79.693  -6.050
  560    HG   LEU  69           HG       LEU  69  47.496 -79.044  -7.910
  561   1HD1  LEU  69          HD11      LEU  69  49.654 -80.360  -7.802
  562   2HD1  LEU  69          HD12      LEU  69  49.347 -80.586  -6.089
  563   3HD1  LEU  69          HD13      LEU  69  49.589 -78.963  -6.738
  564   1HD2  LEU  69          HD21      LEU  69  47.636 -81.330  -8.732
  565   2HD2  LEU  69          HD22      LEU  69  46.098 -81.109  -7.898
  566   3HD2  LEU  69          HD23      LEU  69  47.422 -81.957  -7.098
  567    H    VAL  70           HN       VAL  70  48.464 -76.607  -7.037
  568    HA   VAL  70           HA       VAL  70  46.135 -75.526  -8.459
  569    HB   VAL  70           HB       VAL  70  48.593 -74.256  -7.362
  570   1HG1  VAL  70          HG11      VAL  70  48.174 -72.272  -8.907
  571   2HG1  VAL  70          HG12      VAL  70  47.147 -73.339  -9.863
  572   3HG1  VAL  70          HG13      VAL  70  48.868 -73.682  -9.705
  573   1HG2  VAL  70          HG21      VAL  70  45.831 -73.144  -7.707
  574   2HG2  VAL  70          HG22      VAL  70  47.128 -72.526  -6.682
  575   3HG2  VAL  70          HG23      VAL  70  46.357 -74.064  -6.296
  576    H    LEU  71           HN       LEU  71  46.316 -75.416 -10.641
  577    HA   LEU  71           HA       LEU  71  48.527 -76.978 -11.853
  578   1HB   LEU  71           HB2      LEU  71  45.779 -76.474 -13.011
  579   2HB   LEU  71           HB1      LEU  71  46.991 -77.623 -13.578
  580    HG   LEU  71           HG       LEU  71  45.584 -77.725 -10.890
  581   1HD1  LEU  71          HD11      LEU  71  44.152 -78.323 -12.832
  582   2HD1  LEU  71          HD12      LEU  71  44.481 -79.716 -11.801
  583   3HD1  LEU  71          HD13      LEU  71  45.349 -79.521 -13.325
  584   1HD2  LEU  71          HD21      LEU  71  46.699 -80.083 -10.957
  585   2HD2  LEU  71          HD22      LEU  71  47.707 -78.703 -10.535
  586   3HD2  LEU  71          HD23      LEU  71  47.773 -79.376 -12.164
  587    H    ARG  72           HN       ARG  72  49.664 -76.179 -13.523
  588    HA   ARG  72           HA       ARG  72  49.075 -73.403 -14.409
  589   1HB   ARG  72           HB2      ARG  72  51.099 -73.542 -13.017
  590   2HB   ARG  72           HB1      ARG  72  51.753 -74.784 -14.084
  591   1HG   ARG  72           HG2      ARG  72  51.824 -73.233 -15.946
  592   2HG   ARG  72           HG1      ARG  72  50.991 -71.998 -15.000
  593   1HD   ARG  72           HD2      ARG  72  52.851 -71.781 -13.498
  594   2HD   ARG  72           HD1      ARG  72  53.643 -73.199 -14.183
  595    HE   ARG  72           HE       ARG  72  53.158 -70.834 -15.892
  596   1HH1  ARG  72          HH21      ARG  72  54.984 -73.526 -15.965
  597   2HH1  ARG  72          HH22      ARG  72  56.535 -72.761 -16.057
  598   1HH2  ARG  72          HH11      ARG  72  55.320 -69.608 -15.278
  599   2HH2  ARG  72          HH12      ARG  72  56.726 -70.542 -15.668
  600    H    LEU  73           HN       LEU  73  48.789 -73.135 -16.547
  601    HA   LEU  73           HA       LEU  73  49.620 -75.314 -18.394
  602   1HB   LEU  73           HB2      LEU  73  47.200 -73.497 -18.496
  603   2HB   LEU  73           HB1      LEU  73  47.675 -74.588 -19.792
  604    HG   LEU  73           HG       LEU  73  47.148 -75.522 -16.955
  605   1HD1  LEU  73          HD11      LEU  73  45.279 -75.350 -19.336
  606   2HD1  LEU  73          HD12      LEU  73  45.087 -74.557 -17.772
  607   3HD1  LEU  73          HD13      LEU  73  44.944 -76.311 -17.895
  608   1HD2  LEU  73          HD21      LEU  73  47.606 -76.878 -19.621
  609   2HD2  LEU  73          HD22      LEU  73  46.696 -77.695 -18.353
  610   3HD2  LEU  73          HD23      LEU  73  48.365 -77.216 -18.066
  611    H    ARG  74           HN       ARG  74  50.983 -74.740 -19.967
  612    HA   ARG  74           HA       ARG  74  51.968 -72.071 -20.175
  613   1HB   ARG  74           HB2      ARG  74  52.352 -74.469 -21.979
  614   2HB   ARG  74           HB1      ARG  74  53.256 -72.965 -22.111
  615   1HG   ARG  74           HG2      ARG  74  53.173 -74.495 -19.510
  616   2HG   ARG  74           HG1      ARG  74  54.318 -74.929 -20.775
  617   1HD   ARG  74           HD2      ARG  74  55.094 -72.516 -20.772
  618   2HD   ARG  74           HD1      ARG  74  54.096 -72.268 -19.343
  619    HE   ARG  74           HE       ARG  74  55.475 -74.037 -18.245
  620   1HH1  ARG  74          HH21      ARG  74  57.040 -74.909 -20.665
  621   2HH1  ARG  74          HH22      ARG  74  58.544 -74.077 -20.450
  622   1HH2  ARG  74          HH11      ARG  74  57.279 -71.852 -18.110
  623   2HH2  ARG  74          HH12      ARG  74  58.678 -72.344 -19.003
  624    H    GLY  75           HN       GLY  75  49.788 -74.050 -22.062
  625   1HA   GLY  75           HA2      GLY  75  49.325 -71.925 -24.020
  626   2HA   GLY  75           HA1      GLY  75  48.652 -73.552 -24.060
  627    H    GLY  76           HN       GLY  76  46.825 -71.824 -24.635
  628   1HA   GLY  76           HA2      GLY  76  44.773 -72.086 -22.824
  629   2HA   GLY  76           HA1      GLY  76  45.541 -70.558 -22.406
  Start of MODEL    2
    1   1H    MET   1           HT1      MET   1  54.679 -87.516  10.127
    2   2H    MET   1           HT2      MET   1  54.316 -87.887   8.509
    3   3H    MET   1           HT3      MET   1  54.004 -89.021   9.735
    4    HA   MET   1           HA       MET   1  52.131 -87.997  10.444
    5   1HB   MET   1           HB2      MET   1  51.765 -85.547  10.160
    6   2HB   MET   1           HB1      MET   1  53.240 -85.907  11.053
    7   1HG   MET   1           HG2      MET   1  54.497 -85.722   8.868
    8   2HG   MET   1           HG1      MET   1  53.010 -85.113   8.143
    9   1HE   MET   1           HE1      MET   1  53.656 -81.540   8.426
   10   2HE   MET   1           HE2      MET   1  52.590 -82.823   7.863
   11   3HE   MET   1           HE3      MET   1  54.299 -82.859   7.439
   12    H    GLN   2           HN       GLN   2  50.150 -87.671   9.360
   13    HA   GLN   2           HA       GLN   2  50.284 -88.173   6.462
   14   1HB   GLN   2           HB2      GLN   2  48.067 -88.472   8.498
   15   2HB   GLN   2           HB1      GLN   2  47.832 -88.704   6.766
   16   1HG   GLN   2           HG2      GLN   2  49.420 -90.514   6.717
   17   2HG   GLN   2           HG1      GLN   2  49.913 -90.195   8.380
   18   1HE2  GLN   2          HE21      GLN   2  48.489 -92.600   6.985
   19   2HE2  GLN   2          HE22      GLN   2  47.167 -92.906   8.004
   20    H    ILE   3           HN       ILE   3  49.364 -86.855   4.974
   21    HA   ILE   3           HA       ILE   3  47.957 -84.421   5.862
   22    HB   ILE   3           HB       ILE   3  49.133 -83.069   4.260
   23   1HG1  ILE   3          HG12      ILE   3  50.959 -85.411   3.650
   24   2HG1  ILE   3          HG11      ILE   3  49.580 -85.018   2.625
   25   1HG2  ILE   3          HG21      ILE   3  51.165 -84.671   5.836
   26   2HG2  ILE   3          HG22      ILE   3  50.109 -83.451   6.545
   27   3HG2  ILE   3          HG23      ILE   3  51.299 -82.987   5.329
   28   1HD1  ILE   3          HD11      ILE   3  50.461 -82.704   2.367
   29   2HD1  ILE   3          HD12      ILE   3  51.571 -83.924   1.737
   30   3HD1  ILE   3          HD13      ILE   3  51.883 -83.170   3.302
   31    H    PHE   4           HN       PHE   4  46.763 -83.414   3.959
   32    HA   PHE   4           HA       PHE   4  45.746 -85.533   2.150
   33   1HB   PHE   4           HB2      PHE   4  44.164 -83.379   3.570
   34   2HB   PHE   4           HB1      PHE   4  43.516 -84.469   2.359
   35    HD1  PHE   4           HD1      PHE   4  44.772 -84.186   5.803
   36    HD2  PHE   4           HD2      PHE   4  43.222 -86.856   2.816
   37    HE1  PHE   4           HE1      PHE   4  44.384 -85.913   7.543
   38    HE2  PHE   4           HE2      PHE   4  42.837 -88.579   4.557
   39    HZ   PHE   4           HZ       PHE   4  43.419 -88.107   6.920
   40    H    VAL   5           HN       VAL   5  45.453 -84.965   0.028
   41    HA   VAL   5           HA       VAL   5  45.919 -82.125  -0.710
   42    HB   VAL   5           HB       VAL   5  46.725 -84.561  -2.326
   43   1HG1  VAL   5          HG11      VAL   5  46.110 -82.654  -3.727
   44   2HG1  VAL   5          HG12      VAL   5  47.867 -82.799  -3.714
   45   3HG1  VAL   5          HG13      VAL   5  47.077 -81.568  -2.729
   46   1HG2  VAL   5          HG21      VAL   5  48.544 -82.508  -1.028
   47   2HG2  VAL   5          HG22      VAL   5  48.985 -84.071  -1.720
   48   3HG2  VAL   5          HG23      VAL   5  48.089 -84.000  -0.203
   49    H    LYS   6           HN       LYS   6  44.181 -81.240  -1.703
   50    HA   LYS   6           HA       LYS   6  42.118 -83.051  -2.794
   51   1HB   LYS   6           HB2      LYS   6  42.038 -80.311  -1.604
   52   2HB   LYS   6           HB1      LYS   6  40.859 -80.689  -2.864
   53   1HG   LYS   6           HG2      LYS   6  40.185 -82.716  -1.561
   54   2HG   LYS   6           HG1      LYS   6  41.310 -82.244  -0.285
   55   1HD   LYS   6           HD2      LYS   6  40.093 -80.177   0.079
   56   2HD   LYS   6           HD1      LYS   6  39.031 -80.528  -1.284
   57   1HE   LYS   6           HE2      LYS   6  38.130 -82.477  -0.152
   58   2HE   LYS   6           HE1      LYS   6  39.280 -82.286   1.171
   59   1HZ   LYS   6           HZ1      LYS   6  37.890 -80.890   2.149
   60   2HZ   LYS   6           HZ2      LYS   6  36.764 -81.113   0.897
   61   3HZ   LYS   6           HZ3      LYS   6  37.912 -79.865   0.798
   62    H    THR   7           HN       THR   7  41.403 -82.919  -4.875
   63    HA   THR   7           HA       THR   7  43.085 -81.337  -6.705
   64    HB   THR   7           HB       THR   7  42.528 -82.896  -8.423
   65    HG1  THR   7           HG1      THR   7  40.730 -84.044  -6.552
   66   1HG2  THR   7          HG21      THR   7  42.868 -84.616  -5.978
   67   2HG2  THR   7          HG22      THR   7  44.161 -83.586  -6.593
   68   3HG2  THR   7          HG23      THR   7  43.505 -84.875  -7.602
   69    H    LEU   8           HN       LEU   8  42.072 -80.504  -8.612
   70    HA   LEU   8           HA       LEU   8  39.863 -78.817  -8.006
   71   1HB   LEU   8           HB2      LEU   8  41.021 -79.551 -10.698
   72   2HB   LEU   8           HB1      LEU   8  39.884 -78.234 -10.411
   73    HG   LEU   8           HG       LEU   8  42.558 -78.496  -9.039
   74   1HD1  LEU   8          HD11      LEU   8  42.844 -78.163 -11.457
   75   2HD1  LEU   8          HD12      LEU   8  43.311 -76.710 -10.573
   76   3HD1  LEU   8          HD13      LEU   8  41.756 -76.776 -11.401
   77   1HD2  LEU   8          HD21      LEU   8  41.324 -77.073  -7.656
   78   2HD2  LEU   8          HD22      LEU   8  40.341 -76.461  -8.984
   79   3HD2  LEU   8          HD23      LEU   8  42.001 -75.906  -8.786
   80    H    THR   9           HN       THR   9  39.869 -82.104  -8.964
   81    HA   THR   9           HA       THR   9  37.144 -81.893 -10.069
   82    HB   THR   9           HB       THR   9  37.410 -84.201 -10.796
   83    HG1  THR   9           HG1      THR   9  38.806 -85.444  -9.872
   84   1HG2  THR   9          HG21      THR   9  39.959 -82.649 -11.341
   85   2HG2  THR   9          HG22      THR   9  38.433 -82.402 -12.192
   86   3HG2  THR   9          HG23      THR   9  39.287 -83.938 -12.340
   87    H    GLY  10           HN       GLY  10  38.357 -82.022  -7.104
   88   1HA   GLY  10           HA2      GLY  10  37.028 -82.194  -5.183
   89   2HA   GLY  10           HA1      GLY  10  35.865 -83.150  -6.082
   90    H    LYS  11           HN       LYS  11  39.106 -84.198  -6.439
   91    HA   LYS  11           HA       LYS  11  38.488 -86.574  -4.844
   92   1HB   LYS  11           HB2      LYS  11  39.499 -86.737  -7.152
   93   2HB   LYS  11           HB1      LYS  11  40.968 -86.041  -6.487
   94   1HG   LYS  11           HG2      LYS  11  41.124 -87.881  -4.853
   95   2HG   LYS  11           HG1      LYS  11  39.648 -88.591  -5.512
   96   1HD   LYS  11           HD2      LYS  11  40.737 -88.827  -7.712
   97   2HD   LYS  11           HD1      LYS  11  42.214 -88.118  -7.059
   98   1HE   LYS  11           HE2      LYS  11  42.404 -89.963  -5.444
   99   2HE   LYS  11           HE1      LYS  11  40.907 -90.665  -6.056
  100   1HZ   LYS  11           HZ1      LYS  11  43.459 -90.308  -7.527
  101   2HZ   LYS  11           HZ2      LYS  11  42.003 -90.769  -8.270
  102   3HZ   LYS  11           HZ3      LYS  11  42.717 -91.771  -7.098
  103    H    THR  12           HN       THR  12  39.683 -87.184  -2.980
  104    HA   THR  12           HA       THR  12  41.697 -85.203  -2.037
  105    HB   THR  12           HB       THR  12  39.859 -86.925  -0.337
  106    HG1  THR  12           HG1      THR  12  39.550 -84.540  -1.512
  107   1HG2  THR  12          HG21      THR  12  41.880 -86.624   0.875
  108   2HG2  THR  12          HG22      THR  12  40.832 -85.328   1.449
  109   3HG2  THR  12          HG23      THR  12  42.096 -84.980   0.271
  110    H    ILE  13           HN       ILE  13  43.716 -86.005  -1.784
  111    HA   ILE  13           HA       ILE  13  44.057 -88.959  -1.714
  112    HB   ILE  13           HB       ILE  13  46.236 -86.994  -2.459
  113   1HG1  ILE  13          HG12      ILE  13  44.139 -88.244  -4.256
  114   2HG1  ILE  13          HG11      ILE  13  44.436 -86.525  -4.002
  115   1HG2  ILE  13          HG21      ILE  13  45.807 -89.847  -3.364
  116   2HG2  ILE  13          HG22      ILE  13  46.642 -89.463  -1.860
  117   3HG2  ILE  13          HG23      ILE  13  47.296 -88.903  -3.399
  118   1HD1  ILE  13          HD11      ILE  13  46.196 -88.523  -5.425
  119   2HD1  ILE  13          HD12      ILE  13  46.806 -86.963  -4.870
  120   3HD1  ILE  13          HD13      ILE  13  45.503 -87.028  -6.057
  121    H    THR  14           HN       THR  14  45.222 -89.878  -0.085
  122    HA   THR  14           HA       THR  14  46.118 -88.091   2.083
  123    HB   THR  14           HB       THR  14  45.522 -91.066   2.104
  124    HG1  THR  14           HG1      THR  14  44.116 -88.824   3.122
  125   1HG2  THR  14          HG21      THR  14  45.635 -90.679   4.609
  126   2HG2  THR  14          HG22      THR  14  46.348 -89.106   4.255
  127   3HG2  THR  14          HG23      THR  14  47.181 -90.582   3.767
  128    H    LEU  15           HN       LEU  15  48.258 -87.949   2.541
  129    HA   LEU  15           HA       LEU  15  50.095 -89.921   1.289
  130   1HB   LEU  15           HB2      LEU  15  50.489 -86.931   1.550
  131   2HB   LEU  15           HB1      LEU  15  51.685 -88.068   0.935
  132    HG   LEU  15           HG       LEU  15  48.930 -87.663  -0.268
  133   1HD1  LEU  15          HD11      LEU  15  50.470 -85.674  -0.443
  134   2HD1  LEU  15          HD12      LEU  15  50.020 -86.373  -1.999
  135   3HD1  LEU  15          HD13      LEU  15  51.610 -86.704  -1.310
  136   1HD2  LEU  15          HD21      LEU  15  49.591 -89.802  -0.964
  137   2HD2  LEU  15          HD22      LEU  15  51.307 -89.399  -0.934
  138   3HD2  LEU  15          HD23      LEU  15  50.285 -88.808  -2.241
  139    H    GLU  16           HN       GLU  16  51.983 -90.398   2.437
  140    HA   GLU  16           HA       GLU  16  51.956 -89.608   5.291
  141   1HB   GLU  16           HB2      GLU  16  51.910 -92.065   4.877
  142   2HB   GLU  16           HB1      GLU  16  53.386 -91.926   3.923
  143   1HG   GLU  16           HG2      GLU  16  53.999 -92.646   6.151
  144   2HG   GLU  16           HG1      GLU  16  54.529 -90.979   5.959
  145    H    VAL  17           HN       VAL  17  53.418 -88.103   5.838
  146    HA   VAL  17           HA       VAL  17  55.922 -87.875   4.286
  147    HB   VAL  17           HB       VAL  17  55.651 -85.425   4.211
  148   1HG1  VAL  17          HG11      VAL  17  53.989 -85.354   2.430
  149   2HG1  VAL  17          HG12      VAL  17  53.285 -86.873   2.986
  150   3HG1  VAL  17          HG13      VAL  17  54.909 -86.853   2.300
  151   1HG2  VAL  17          HG21      VAL  17  52.980 -86.112   5.456
  152   2HG2  VAL  17          HG22      VAL  17  53.283 -84.574   4.650
  153   3HG2  VAL  17          HG23      VAL  17  54.215 -85.019   6.079
  154    H    GLU  18           HN       GLU  18  57.432 -86.352   5.300
  155    HA   GLU  18           HA       GLU  18  57.231 -86.371   8.250
  156   1HB   GLU  18           HB2      GLU  18  59.692 -86.645   6.488
  157   2HB   GLU  18           HB1      GLU  18  59.744 -86.414   8.231
  158   1HG   GLU  18           HG2      GLU  18  58.242 -88.681   6.898
  159   2HG   GLU  18           HG1      GLU  18  59.904 -88.829   7.464
  160    HA   PRO  19           HA       PRO  19  57.343 -81.969   7.809
  161   1HB   PRO  19           HB2      PRO  19  59.321 -81.700  10.024
  162   2HB   PRO  19           HB1      PRO  19  57.701 -80.988   9.856
  163   1HG   PRO  19           HG2      PRO  19  58.156 -83.045  11.533
  164   2HG   PRO  19           HG1      PRO  19  56.641 -82.880  10.631
  165   1HD   PRO  19           HD2      PRO  19  58.956 -84.733  10.062
  166   2HD   PRO  19           HD1      PRO  19  57.199 -85.007   9.916
  167    H    SER  20           HN       SER  20  60.350 -83.736   7.901
  168    HA   SER  20           HA       SER  20  61.934 -81.550   6.834
  169   1HB   SER  20           HB2      SER  20  63.723 -83.320   6.731
  170   2HB   SER  20           HB1      SER  20  63.073 -83.001   8.334
  171    HG   SER  20           HG       SER  20  61.552 -84.801   7.728
  172    H    ASP  21           HN       ASP  21  59.710 -83.599   5.408
  173    HA   ASP  21           HA       ASP  21  61.170 -84.311   3.040
  174   1HB   ASP  21           HB2      ASP  21  58.241 -84.211   3.770
  175   2HB   ASP  21           HB1      ASP  21  58.760 -84.559   2.122
  176    H    THR  22           HN       THR  22  61.262 -83.245   1.133
  177    HA   THR  22           HA       THR  22  60.704 -80.400   1.180
  178    HB   THR  22           HB       THR  22  61.846 -80.315  -0.958
  179    HG1  THR  22           HG1      THR  22  62.092 -82.063  -2.065
  180   1HG2  THR  22          HG21      THR  22  63.326 -80.005   0.830
  181   2HG2  THR  22          HG22      THR  22  64.095 -81.276  -0.126
  182   3HG2  THR  22          HG23      THR  22  63.207 -81.691   1.340
  183    H    ILE  23           HN       ILE  23  59.583 -79.366  -0.527
  184    HA   ILE  23           HA       ILE  23  57.053 -80.492  -1.127
  185    HB   ILE  23           HB       ILE  23  58.550 -78.150  -2.274
  186   1HG1  ILE  23          HG12      ILE  23  58.066 -77.954   0.088
  187   2HG1  ILE  23          HG11      ILE  23  57.072 -76.827  -0.809
  188   1HG2  ILE  23          HG21      ILE  23  56.965 -78.652  -3.942
  189   2HG2  ILE  23          HG22      ILE  23  56.176 -77.424  -2.951
  190   3HG2  ILE  23          HG23      ILE  23  55.748 -79.124  -2.757
  191   1HD1  ILE  23          HD11      ILE  23  56.270 -79.302   0.651
  192   2HD1  ILE  23          HD12      ILE  23  55.322 -78.833  -0.756
  193   3HD1  ILE  23          HD13      ILE  23  55.484 -77.729   0.608
  194    H    GLU  24           HN       GLU  24  60.048 -80.288  -3.029
  195    HA   GLU  24           HA       GLU  24  58.981 -81.284  -5.455
  196   1HB   GLU  24           HB2      GLU  24  61.267 -80.305  -5.253
  197   2HB   GLU  24           HB1      GLU  24  61.767 -81.709  -4.317
  198   1HG   GLU  24           HG2      GLU  24  61.236 -83.180  -6.227
  199   2HG   GLU  24           HG1      GLU  24  60.730 -81.778  -7.167
  200    H    ASN  25           HN       ASN  25  60.172 -82.851  -2.523
  201    HA   ASN  25           HA       ASN  25  60.075 -85.511  -3.545
  202   1HB   ASN  25           HB2      ASN  25  61.285 -84.782  -1.451
  203   2HB   ASN  25           HB1      ASN  25  59.712 -84.676  -0.662
  204   1HD2  ASN  25          HD21      ASN  25  61.802 -86.559   0.104
  205   2HD2  ASN  25          HD22      ASN  25  61.198 -88.120  -0.177
  206    H    VAL  26           HN       VAL  26  57.733 -83.488  -1.796
  207    HA   VAL  26           HA       VAL  26  55.703 -85.470  -1.575
  208    HB   VAL  26           HB       VAL  26  55.511 -82.444  -1.732
  209   1HG1  VAL  26          HG11      VAL  26  53.424 -84.564  -1.218
  210   2HG1  VAL  26          HG12      VAL  26  53.369 -83.232  -2.374
  211   3HG1  VAL  26          HG13      VAL  26  53.227 -82.907  -0.645
  212   1HG2  VAL  26          HG21      VAL  26  55.134 -84.217   0.686
  213   2HG2  VAL  26          HG22      VAL  26  55.409 -82.476   0.641
  214   3HG2  VAL  26          HG23      VAL  26  56.717 -83.585   0.234
  215    H    LYS  27           HN       LYS  27  56.447 -83.139  -4.168
  216    HA   LYS  27           HA       LYS  27  54.218 -83.684  -5.795
  217   1HB   LYS  27           HB2      LYS  27  57.057 -83.042  -6.636
  218   2HB   LYS  27           HB1      LYS  27  55.644 -82.999  -7.679
  219   1HG   LYS  27           HG2      LYS  27  54.780 -81.267  -5.760
  220   2HG   LYS  27           HG1      LYS  27  56.547 -81.013  -5.634
  221   1HD   LYS  27           HD2      LYS  27  56.574 -80.779  -8.134
  222   2HD   LYS  27           HD1      LYS  27  54.821 -80.687  -8.062
  223   1HE   LYS  27           HE2      LYS  27  54.850 -78.559  -7.188
  224   2HE   LYS  27           HE1      LYS  27  56.251 -78.881  -6.168
  225   1HZ   LYS  27           HZ1      LYS  27  56.409 -78.590  -9.111
  226   2HZ   LYS  27           HZ2      LYS  27  57.695 -78.624  -8.001
  227   3HZ   LYS  27           HZ3      LYS  27  56.632 -77.298  -8.035
  228    H    ALA  28           HN       ALA  28  57.382 -85.242  -5.464
  229    HA   ALA  28           HA       ALA  28  57.134 -87.012  -7.636
  230   1HB   ALA  28           HB1      ALA  28  58.950 -88.278  -6.603
  231   2HB   ALA  28           HB2      ALA  28  58.709 -87.414  -5.084
  232   3HB   ALA  28           HB3      ALA  28  59.281 -86.548  -6.510
  233    H    LYS  29           HN       LYS  29  56.109 -87.271  -4.268
  234    HA   LYS  29           HA       LYS  29  55.341 -90.010  -4.387
  235   1HB   LYS  29           HB2      LYS  29  54.382 -87.731  -2.636
  236   2HB   LYS  29           HB1      LYS  29  53.848 -89.396  -2.439
  237   1HG   LYS  29           HG2      LYS  29  56.183 -90.108  -2.065
  238   2HG   LYS  29           HG1      LYS  29  56.720 -88.435  -2.260
  239   1HD   LYS  29           HD2      LYS  29  55.285 -87.754  -0.373
  240   2HD   LYS  29           HD1      LYS  29  54.760 -89.422  -0.171
  241   1HE   LYS  29           HE2      LYS  29  56.600 -88.600   1.372
  242   2HE   LYS  29           HE1      LYS  29  56.932 -90.129   0.499
  243   1HZ   LYS  29           HZ1      LYS  29  57.763 -87.495  -0.551
  244   2HZ   LYS  29           HZ2      LYS  29  58.332 -89.036  -0.983
  245   3HZ   LYS  29           HZ3      LYS  29  58.749 -88.364   0.521
  246    H    ILE  30           HN       ILE  30  53.661 -86.958  -5.087
  247    HA   ILE  30           HA       ILE  30  51.080 -88.089  -5.603
  248    HB   ILE  30           HB       ILE  30  52.378 -85.490  -6.458
  249   1HG1  ILE  30          HG12      ILE  30  50.286 -86.271  -4.395
  250   2HG1  ILE  30          HG11      ILE  30  51.936 -85.734  -4.070
  251   1HG2  ILE  30          HG21      ILE  30  50.701 -86.065  -8.147
  252   2HG2  ILE  30          HG22      ILE  30  50.020 -84.829  -7.102
  253   3HG2  ILE  30          HG23      ILE  30  49.545 -86.513  -6.895
  254   1HD1  ILE  30          HD11      ILE  30  50.738 -83.769  -3.731
  255   2HD1  ILE  30          HD12      ILE  30  49.559 -84.152  -4.987
  256   3HD1  ILE  30          HD13      ILE  30  51.178 -83.601  -5.432
  257    H    GLN  31           HN       GLN  31  53.916 -87.472  -7.681
  258    HA   GLN  31           HA       GLN  31  52.709 -88.092 -10.146
  259   1HB   GLN  31           HB2      GLN  31  54.951 -87.100  -9.979
  260   2HB   GLN  31           HB1      GLN  31  55.555 -88.555  -9.187
  261   1HG   GLN  31           HG2      GLN  31  55.122 -89.875 -11.196
  262   2HG   GLN  31           HG1      GLN  31  54.388 -88.482 -11.987
  263   1HE2  GLN  31          HE21      GLN  31  56.024 -88.480 -13.694
  264   2HE2  GLN  31          HE22      GLN  31  57.616 -87.982 -13.381
  265    H    ASP  32           HN       ASP  32  54.340 -90.079  -7.752
  266    HA   ASP  32           HA       ASP  32  54.244 -92.525  -9.136
  267   1HB   ASP  32           HB2      ASP  32  55.591 -92.119  -7.091
  268   2HB   ASP  32           HB1      ASP  32  54.105 -92.104  -6.143
  269    H    LYS  33           HN       LYS  33  51.897 -91.013  -6.954
  270    HA   LYS  33           HA       LYS  33  50.107 -93.272  -7.039
  271   1HB   LYS  33           HB2      LYS  33  49.650 -90.470  -6.042
  272   2HB   LYS  33           HB1      LYS  33  48.615 -91.852  -5.702
  273   1HG   LYS  33           HG2      LYS  33  51.108 -92.790  -4.879
  274   2HG   LYS  33           HG1      LYS  33  51.167 -91.093  -4.412
  275   1HD   LYS  33           HD2      LYS  33  49.060 -91.329  -3.182
  276   2HD   LYS  33           HD1      LYS  33  48.942 -93.014  -3.690
  277   1HE   LYS  33           HE2      LYS  33  49.855 -92.776  -1.385
  278   2HE   LYS  33           HE1      LYS  33  50.994 -93.561  -2.481
  279   1HZ   LYS  33           HZ1      LYS  33  51.342 -90.769  -2.598
  280   2HZ   LYS  33           HZ2      LYS  33  52.450 -91.958  -2.104
  281   3HZ   LYS  33           HZ3      LYS  33  51.390 -91.259  -0.975
  282    H    GLU  34           HN       GLU  34  50.051 -90.028  -8.561
  283    HA   GLU  34           HA       GLU  34  47.536 -90.821  -9.920
  284   1HB   GLU  34           HB2      GLU  34  48.708 -88.140  -9.212
  285   2HB   GLU  34           HB1      GLU  34  47.269 -88.345 -10.215
  286   1HG   GLU  34           HG2      GLU  34  47.622 -89.600  -7.502
  287   2HG   GLU  34           HG1      GLU  34  46.830 -88.018  -7.699
  288    H    GLY  35           HN       GLY  35  50.824 -90.204 -10.711
  289   1HA   GLY  35           HA2      GLY  35  51.814 -90.515 -12.783
  290   2HA   GLY  35           HA1      GLY  35  50.218 -90.629 -13.515
  291    H    ILE  36           HN       ILE  36  50.522 -87.875 -11.590
  292    HA   ILE  36           HA       ILE  36  50.495 -86.139 -13.925
  293    HB   ILE  36           HB       ILE  36  50.474 -85.381 -11.004
  294   1HG1  ILE  36          HG12      ILE  36  47.980 -85.601 -12.701
  295   2HG1  ILE  36          HG11      ILE  36  48.607 -87.039 -11.903
  296   1HG2  ILE  36          HG21      ILE  36  49.471 -83.320 -11.813
  297   2HG2  ILE  36          HG22      ILE  36  49.378 -83.956 -13.451
  298   3HG2  ILE  36          HG23      ILE  36  50.947 -83.600 -12.735
  299   1HD1  ILE  36          HD11      ILE  36  48.558 -85.852  -9.730
  300   2HD1  ILE  36          HD12      ILE  36  46.958 -85.939 -10.468
  301   3HD1  ILE  36          HD13      ILE  36  47.880 -84.437 -10.535
  302    HA   PRO  37           HA       PRO  37  55.004 -85.778 -13.466
  303   1HB   PRO  37           HB2      PRO  37  54.774 -83.553 -15.439
  304   2HB   PRO  37           HB1      PRO  37  55.793 -85.004 -15.509
  305   1HG   PRO  37           HG2      PRO  37  53.606 -84.734 -17.040
  306   2HG   PRO  37           HG1      PRO  37  54.112 -86.303 -16.391
  307   1HD   PRO  37           HD2      PRO  37  51.869 -84.527 -15.458
  308   2HD   PRO  37           HD1      PRO  37  51.977 -86.305 -15.530
  309    HA   PRO  38           HA       PRO  38  55.090 -82.583 -10.314
  310   1HB   PRO  38           HB2      PRO  38  58.013 -82.413 -11.050
  311   2HB   PRO  38           HB1      PRO  38  57.283 -82.581  -9.444
  312   1HG   PRO  38           HG2      PRO  38  58.425 -84.651 -10.646
  313   2HG   PRO  38           HG1      PRO  38  56.942 -84.848  -9.690
  314   1HD   PRO  38           HD2      PRO  38  57.276 -84.876 -12.667
  315   2HD   PRO  38           HD1      PRO  38  56.125 -85.754 -11.631
  316    H    ASP  39           HN       ASP  39  56.617 -81.882 -13.448
  317    HA   ASP  39           HA       ASP  39  56.835 -79.095 -12.902
  318   1HB   ASP  39           HB2      ASP  39  56.909 -80.650 -15.483
  319   2HB   ASP  39           HB1      ASP  39  57.100 -78.879 -15.380
  320    H    GLN  40           HN       GLN  40  54.136 -81.023 -13.665
  321    HA   GLN  40           HA       GLN  40  52.625 -78.724 -14.736
  322   1HB   GLN  40           HB2      GLN  40  51.955 -81.674 -14.608
  323   2HB   GLN  40           HB1      GLN  40  50.849 -80.429 -15.185
  324   1HG   GLN  40           HG2      GLN  40  52.643 -79.750 -16.834
  325   2HG   GLN  40           HG1      GLN  40  53.533 -81.191 -16.351
  326   1HE2  GLN  40          HE21      GLN  40  50.753 -82.547 -15.941
  327   2HE2  GLN  40          HE22      GLN  40  50.314 -83.002 -17.517
  328    H    GLN  41           HN       GLN  41  53.356 -79.880 -11.784
  329    HA   GLN  41           HA       GLN  41  50.638 -79.508 -10.654
  330   1HB   GLN  41           HB2      GLN  41  53.129 -80.835  -9.617
  331   2HB   GLN  41           HB1      GLN  41  51.712 -80.556  -8.612
  332   1HG   GLN  41           HG2      GLN  41  50.355 -81.802 -10.325
  333   2HG   GLN  41           HG1      GLN  41  51.864 -82.188 -11.153
  334   1HE2  GLN  41          HE21      GLN  41  52.545 -84.254 -10.630
  335   2HE2  GLN  41          HE22      GLN  41  52.390 -84.972  -9.099
  336    H    ARG  42           HN       ARG  42  50.140 -78.008  -9.209
  337    HA   ARG  42           HA       ARG  42  52.240 -76.262  -8.080
  338   1HB   ARG  42           HB2      ARG  42  49.569 -75.447  -9.203
  339   2HB   ARG  42           HB1      ARG  42  50.496 -74.417  -8.119
  340   1HG   ARG  42           HG2      ARG  42  52.375 -74.476  -9.723
  341   2HG   ARG  42           HG1      ARG  42  51.413 -75.494 -10.797
  342   1HD   ARG  42           HD2      ARG  42  49.711 -73.719 -10.962
  343   2HD   ARG  42           HD1      ARG  42  50.665 -72.701  -9.888
  344    HE   ARG  42           HE       ARG  42  52.243 -73.501 -12.111
  345   1HH1  ARG  42          HH11      ARG  42  52.097 -70.682 -11.086
  346   2HH1  ARG  42          HH12      ARG  42  51.293 -69.857 -12.379
  347   1HH2  ARG  42          HH21      ARG  42  50.105 -72.763 -13.853
  348   2HH2  ARG  42          HH22      ARG  42  50.163 -71.034 -13.943
  349    H    LEU  43           HN       LEU  43  52.203 -76.332  -5.891
  350    HA   LEU  43           HA       LEU  43  49.764 -77.365  -4.560
  351   1HB   LEU  43           HB2      LEU  43  52.684 -77.392  -3.754
  352   2HB   LEU  43           HB1      LEU  43  51.354 -77.834  -2.684
  353    HG   LEU  43           HG       LEU  43  51.838 -79.180  -5.364
  354   1HD1  LEU  43          HD11      LEU  43  52.768 -79.929  -2.574
  355   2HD1  LEU  43          HD12      LEU  43  53.789 -79.567  -3.965
  356   3HD1  LEU  43          HD13      LEU  43  52.806 -81.031  -3.951
  357   1HD2  LEU  43          HD21      LEU  43  50.100 -79.754  -2.942
  358   2HD2  LEU  43          HD22      LEU  43  50.513 -81.015  -4.099
  359   3HD2  LEU  43          HD23      LEU  43  49.598 -79.610  -4.623
  360    H    ILE  44           HN       ILE  44  48.653 -76.158  -3.226
  361    HA   ILE  44           HA       ILE  44  49.805 -73.597  -2.258
  362    HB   ILE  44           HB       ILE  44  47.073 -74.214  -3.405
  363   1HG1  ILE  44          HG12      ILE  44  47.678 -71.761  -4.312
  364   2HG1  ILE  44          HG11      ILE  44  49.310 -72.290  -4.023
  365   1HG2  ILE  44          HG21      ILE  44  47.831 -72.045  -1.439
  366   2HG2  ILE  44          HG22      ILE  44  46.450 -73.141  -1.381
  367   3HG2  ILE  44          HG23      ILE  44  46.489 -71.835  -2.565
  368   1HD1  ILE  44          HD11      ILE  44  48.305 -74.463  -5.358
  369   2HD1  ILE  44          HD12      ILE  44  49.201 -73.140  -6.100
  370   3HD1  ILE  44          HD13      ILE  44  47.435 -73.127  -6.118
  371    H    PHE  45           HN       PHE  45  49.507 -73.089  -0.177
  372    HA   PHE  45           HA       PHE  45  47.685 -74.692   1.480
  373   1HB   PHE  45           HB2      PHE  45  49.857 -75.746   1.808
  374   2HB   PHE  45           HB1      PHE  45  50.601 -74.185   2.132
  375    HD1  PHE  45           HD1      PHE  45  47.806 -76.385   3.311
  376    HD2  PHE  45           HD2      PHE  45  50.725 -73.408   4.348
  377    HE1  PHE  45           HE1      PHE  45  47.168 -76.592   5.699
  378    HE2  PHE  45           HE2      PHE  45  50.088 -73.615   6.736
  379    HZ   PHE  45           HZ       PHE  45  48.309 -75.207   7.412
  380    H    ALA  46           HN       ALA  46  46.482 -73.417   2.700
  381    HA   ALA  46           HA       ALA  46  45.590 -71.500   3.561
  382   1HB   ALA  46           HB1      ALA  46  46.888 -70.498   5.259
  383   2HB   ALA  46           HB2      ALA  46  48.402 -70.874   4.437
  384   3HB   ALA  46           HB3      ALA  46  47.451 -72.167   5.169
  385    H    GLY  47           HN       GLY  47  46.210 -71.255   0.828
  386   1HA   GLY  47           HA2      GLY  47  45.944 -69.492  -0.666
  387   2HA   GLY  47           HA1      GLY  47  46.234 -68.382   0.655
  388    H    LYS  48           HN       LYS  48  48.869 -70.459   0.687
  389    HA   LYS  48           HA       LYS  48  50.420 -68.588  -1.029
  390   1HB   LYS  48           HB2      LYS  48  51.372 -70.324   1.228
  391   2HB   LYS  48           HB1      LYS  48  52.338 -69.124   0.392
  392   1HG   LYS  48           HG2      LYS  48  50.801 -67.330   1.167
  393   2HG   LYS  48           HG1      LYS  48  49.857 -68.526   2.044
  394   1HD   LYS  48           HD2      LYS  48  52.820 -68.107   2.513
  395   2HD   LYS  48           HD1      LYS  48  51.585 -67.236   3.418
  396   1HE   LYS  48           HE2      LYS  48  50.605 -69.578   3.954
  397   2HE   LYS  48           HE1      LYS  48  52.163 -70.200   3.409
  398   1HZ   LYS  48           HZ1      LYS  48  52.771 -69.829   5.512
  399   2HZ   LYS  48           HZ2      LYS  48  51.491 -68.753   5.815
  400   3HZ   LYS  48           HZ3      LYS  48  52.901 -68.205   5.040
  401    H    GLN  49           HN       GLN  49  51.749 -69.360  -2.620
  402    HA   GLN  49           HA       GLN  49  51.463 -72.150  -3.397
  403   1HB   GLN  49           HB2      GLN  49  53.040 -69.844  -4.565
  404   2HB   GLN  49           HB1      GLN  49  53.042 -71.470  -5.247
  405   1HG   GLN  49           HG2      GLN  49  50.683 -71.380  -5.678
  406   2HG   GLN  49           HG1      GLN  49  50.515 -69.876  -4.776
  407   1HE2  GLN  49          HE21      GLN  49  53.360 -69.335  -6.247
  408   2HE2  GLN  49          HE22      GLN  49  52.835 -68.674  -7.718
  409    H    LEU  50           HN       LEU  50  52.844 -73.747  -2.875
  410    HA   LEU  50           HA       LEU  50  55.118 -73.131  -1.153
  411   1HB   LEU  50           HB2      LEU  50  54.137 -75.831  -2.094
  412   2HB   LEU  50           HB1      LEU  50  55.216 -75.485  -0.753
  413    HG   LEU  50           HG       LEU  50  52.354 -74.529  -0.960
  414   1HD1  LEU  50          HD11      LEU  50  52.762 -77.047  -0.638
  415   2HD1  LEU  50          HD12      LEU  50  51.763 -76.253   0.576
  416   3HD1  LEU  50          HD13      LEU  50  53.448 -76.622   0.930
  417   1HD2  LEU  50          HD21      LEU  50  52.857 -74.180   1.600
  418   2HD2  LEU  50          HD22      LEU  50  53.438 -72.984   0.448
  419   3HD2  LEU  50          HD23      LEU  50  54.543 -74.197   1.092
  420    H    GLU  51           HN       GLU  51  57.237 -73.297  -1.683
  421    HA   GLU  51           HA       GLU  51  57.876 -73.677  -4.509
  422   1HB   GLU  51           HB2      GLU  51  59.455 -72.661  -2.145
  423   2HB   GLU  51           HB1      GLU  51  60.183 -72.897  -3.729
  424   1HG   GLU  51           HG2      GLU  51  58.554 -71.381  -4.736
  425   2HG   GLU  51           HG1      GLU  51  57.778 -71.124  -3.178
  426    H    ASP  52           HN       ASP  52  59.434 -75.086  -5.325
  427    HA   ASP  52           HA       ASP  52  59.370 -77.673  -4.206
  428   1HB   ASP  52           HB2      ASP  52  60.896 -76.523  -6.535
  429   2HB   ASP  52           HB1      ASP  52  60.889 -78.225  -6.097
  430    H    GLY  53           HN       GLY  53  61.663 -75.121  -3.722
  431   1HA   GLY  53           HA2      GLY  53  63.746 -77.016  -2.839
  432   2HA   GLY  53           HA1      GLY  53  63.926 -75.278  -3.023
  433    H    ARG  54           HN       ARG  54  61.053 -75.890  -1.402
  434    HA   ARG  54           HA       ARG  54  62.367 -75.455   1.241
  435   1HB   ARG  54           HB2      ARG  54  59.716 -74.545   0.124
  436   2HB   ARG  54           HB1      ARG  54  60.158 -74.378   1.823
  437   1HG   ARG  54           HG2      ARG  54  62.306 -73.391   0.069
  438   2HG   ARG  54           HG1      ARG  54  60.802 -72.572  -0.278
  439   1HD   ARG  54           HD2      ARG  54  60.565 -71.987   2.100
  440   2HD   ARG  54           HD1      ARG  54  62.049 -72.868   2.466
  441    HE   ARG  54           HE       ARG  54  62.133 -70.617   0.548
  442   1HH1  ARG  54          HH21      ARG  54  63.751 -72.423   2.917
  443   2HH1  ARG  54          HH22      ARG  54  64.638 -71.088   3.574
  444   1HH2  ARG  54          HH11      ARG  54  62.967 -68.706   1.689
  445   2HH2  ARG  54          HH12      ARG  54  64.196 -68.985   2.877
  446    H    THR  55           HN       THR  55  61.139 -76.271   3.151
  447    HA   THR  55           HA       THR  55  60.026 -78.954   2.592
  448    HB   THR  55           HB       THR  55  60.614 -79.579   4.838
  449    HG1  THR  55           HG1      THR  55  62.025 -77.404   5.546
  450   1HG2  THR  55          HG21      THR  55  62.903 -78.055   3.567
  451   2HG2  THR  55          HG22      THR  55  62.390 -79.680   3.115
  452   3HG2  THR  55          HG23      THR  55  63.048 -79.380   4.725
  453    H    LEU  56           HN       LEU  56  58.463 -79.813   4.124
  454    HA   LEU  56           HA       LEU  56  56.101 -78.252   4.276
  455   1HB   LEU  56           HB2      LEU  56  56.843 -80.693   5.902
  456   2HB   LEU  56           HB1      LEU  56  55.217 -80.030   5.723
  457    HG   LEU  56           HG       LEU  56  56.917 -81.004   3.410
  458   1HD1  LEU  56          HD11      LEU  56  54.733 -82.398   4.975
  459   2HD1  LEU  56          HD12      LEU  56  56.428 -82.875   4.871
  460   3HD1  LEU  56          HD13      LEU  56  55.393 -82.982   3.447
  461   1HD2  LEU  56          HD21      LEU  56  54.010 -80.172   3.720
  462   2HD2  LEU  56          HD22      LEU  56  54.580 -81.100   2.337
  463   3HD2  LEU  56          HD23      LEU  56  55.203 -79.484   2.628
  464    H    SER  57           HN       SER  57  58.565 -78.944   6.788
  465    HA   SER  57           HA       SER  57  57.153 -77.700   8.855
  466   1HB   SER  57           HB2      SER  57  59.010 -79.091   9.452
  467   2HB   SER  57           HB1      SER  57  60.119 -78.112   8.490
  468    HG   SER  57           HG       SER  57  60.179 -76.670  10.040
  469    H    ASP  58           HN       ASP  58  59.147 -76.327   6.338
  470    HA   ASP  58           HA       ASP  58  59.580 -73.797   7.509
  471   1HB   ASP  58           HB2      ASP  58  59.356 -74.642   4.614
  472   2HB   ASP  58           HB1      ASP  58  59.800 -73.021   5.102
  473    H    TYR  59           HN       TYR  59  56.768 -75.199   5.947
  474    HA   TYR  59           HA       TYR  59  55.393 -72.585   5.960
  475   1HB   TYR  59           HB2      TYR  59  54.602 -75.245   4.728
  476   2HB   TYR  59           HB1      TYR  59  53.586 -73.801   4.735
  477    HD1  TYR  59           HD1      TYR  59  56.597 -75.393   3.398
  478    HD2  TYR  59           HD2      TYR  59  54.221 -71.822   3.398
  479    HE1  TYR  59           HE1      TYR  59  57.811 -74.591   1.403
  480    HE2  TYR  59           HE2      TYR  59  55.439 -71.012   1.395
  481    HH   TYR  59           HH       TYR  59  57.987 -71.607   0.425
  482    H    ASN  60           HN       ASN  60  55.980 -74.571   8.288
  483    HA   ASN  60           HA       ASN  60  54.979 -75.325  10.172
  484   1HB   ASN  60           HB2      ASN  60  53.175 -72.966   9.609
  485   2HB   ASN  60           HB1      ASN  60  53.306 -73.805  11.154
  486   1HD2  ASN  60          HD21      ASN  60  56.036 -74.170  11.460
  487   2HD2  ASN  60          HD22      ASN  60  56.830 -72.670  11.479
  488    H    ILE  61           HN       ILE  61  54.124 -76.738   7.894
  489    HA   ILE  61           HA       ILE  61  51.233 -77.069   8.100
  490    HB   ILE  61           HB       ILE  61  53.364 -78.548   6.518
  491   1HG1  ILE  61          HG12      ILE  61  51.175 -76.652   5.626
  492   2HG1  ILE  61          HG11      ILE  61  52.828 -76.143   5.951
  493   1HG2  ILE  61          HG21      ILE  61  51.301 -79.947   7.069
  494   2HG2  ILE  61          HG22      ILE  61  51.572 -79.674   5.350
  495   3HG2  ILE  61          HG23      ILE  61  50.358 -78.733   6.209
  496   1HD1  ILE  61          HD11      ILE  61  53.693 -77.434   4.154
  497   2HD1  ILE  61          HD12      ILE  61  52.243 -76.669   3.506
  498   3HD1  ILE  61          HD13      ILE  61  52.202 -78.362   3.996
  499    H    GLN  62           HN       GLN  62  50.277 -78.325   9.559
  500    HA   GLN  62           HA       GLN  62  51.930 -80.191  11.135
  501   1HB   GLN  62           HB2      GLN  62  49.318 -78.778  11.765
  502   2HB   GLN  62           HB1      GLN  62  50.105 -79.937  12.830
  503   1HG   GLN  62           HG2      GLN  62  51.426 -77.411  11.803
  504   2HG   GLN  62           HG1      GLN  62  50.642 -77.543  13.376
  505   1HE2  GLN  62          HE21      GLN  62  53.652 -77.587  12.060
  506   2HE2  GLN  62          HE22      GLN  62  54.430 -78.646  13.135
  507    H    LYS  63           HN       LYS  63  50.715 -82.058  12.097
  508    HA   LYS  63           HA       LYS  63  49.938 -83.812  10.117
  509   1HB   LYS  63           HB2      LYS  63  48.943 -85.260  11.820
  510   2HB   LYS  63           HB1      LYS  63  50.516 -84.644  12.329
  511   1HG   LYS  63           HG2      LYS  63  49.332 -82.830  13.595
  512   2HG   LYS  63           HG1      LYS  63  47.802 -83.608  13.190
  513   1HD   LYS  63           HD2      LYS  63  48.681 -85.717  14.254
  514   2HD   LYS  63           HD1      LYS  63  50.075 -84.789  14.810
  515   1HE   LYS  63           HE2      LYS  63  48.616 -83.287  16.071
  516   2HE   LYS  63           HE1      LYS  63  47.187 -84.115  15.451
  517   1HZ   LYS  63           HZ1      LYS  63  47.449 -85.185  17.425
  518   2HZ   LYS  63           HZ2      LYS  63  49.138 -85.005  17.444
  519   3HZ   LYS  63           HZ3      LYS  63  48.418 -86.183  16.455
  520    H    GLU  64           HN       GLU  64  48.100 -84.486   9.202
  521    HA   GLU  64           HA       GLU  64  45.989 -84.425   8.345
  522   1HB   GLU  64           HB2      GLU  64  45.228 -83.193  10.996
  523   2HB   GLU  64           HB1      GLU  64  44.086 -83.708   9.762
  524   1HG   GLU  64           HG2      GLU  64  45.123 -86.001   9.871
  525   2HG   GLU  64           HG1      GLU  64  46.011 -85.466  11.309
  526    H    SER  65           HN       SER  65  47.838 -82.123   8.066
  527    HA   SER  65           HA       SER  65  46.061 -79.859   7.631
  528   1HB   SER  65           HB2      SER  65  48.915 -80.445   6.840
  529   2HB   SER  65           HB1      SER  65  48.069 -78.976   6.361
  530    HG   SER  65           HG       SER  65  47.777 -78.520   8.573
  531    H    THR  66           HN       THR  66  45.339 -79.126   5.599
  532    HA   THR  66           HA       THR  66  45.272 -81.221   3.491
  533    HB   THR  66           HB       THR  66  43.326 -78.952   4.017
  534    HG1  THR  66           HG1      THR  66  42.663 -80.368   5.427
  535   1HG2  THR  66          HG21      THR  66  43.361 -79.430   1.671
  536   2HG2  THR  66          HG22      THR  66  41.963 -80.281   2.327
  537   3HG2  THR  66          HG23      THR  66  43.443 -81.167   1.963
  538    H    LEU  67           HN       LEU  67  46.258 -80.809   1.671
  539    HA   LEU  67           HA       LEU  67  47.145 -78.065   1.014
  540   1HB   LEU  67           HB2      LEU  67  48.237 -80.822   0.536
  541   2HB   LEU  67           HB1      LEU  67  48.538 -79.613  -0.709
  542    HG   LEU  67           HG       LEU  67  49.568 -78.154   0.933
  543   1HD1  LEU  67          HD11      LEU  67  48.888 -80.363   2.883
  544   2HD1  LEU  67          HD12      LEU  67  48.319 -78.694   2.931
  545   3HD1  LEU  67          HD13      LEU  67  50.015 -79.055   3.244
  546   1HD2  LEU  67          HD21      LEU  67  51.125 -79.585  -0.112
  547   2HD2  LEU  67          HD22      LEU  67  50.570 -80.987   0.801
  548   3HD2  LEU  67          HD23      LEU  67  51.493 -79.719   1.607
  549    H    HIS  68           HN       HIS  68  46.951 -77.435  -1.221
  550    HA   HIS  68           HA       HIS  68  44.706 -78.761  -2.630
  551   1HB   HIS  68           HB2      HIS  68  45.513 -75.843  -2.502
  552   2HB   HIS  68           HB1      HIS  68  44.335 -76.478  -3.648
  553    HD1  HIS  68           HD1      HIS  68  44.847 -75.759  -0.004
  554    HD2  HIS  68           HD2      HIS  68  41.843 -77.255  -2.478
  555    HE1  HIS  68           HE1      HIS  68  42.737 -75.821   1.392
  556    H    LEU  69           HN       LEU  69  45.101 -79.456  -4.648
  557    HA   LEU  69           HA       LEU  69  47.739 -78.858  -5.850
  558   1HB   LEU  69           HB2      LEU  69  47.359 -81.234  -5.428
  559   2HB   LEU  69           HB1      LEU  69  45.815 -81.170  -6.251
  560    HG   LEU  69           HG       LEU  69  46.912 -80.680  -8.372
  561   1HD1  LEU  69          HD11      LEU  69  48.838 -79.415  -7.789
  562   2HD1  LEU  69          HD12      LEU  69  49.463 -80.940  -8.395
  563   3HD1  LEU  69          HD13      LEU  69  49.396 -80.652  -6.664
  564   1HD2  LEU  69          HD21      LEU  69  47.957 -82.837  -8.711
  565   2HD2  LEU  69          HD22      LEU  69  46.623 -83.041  -7.576
  566   3HD2  LEU  69          HD23      LEU  69  48.284 -82.993  -6.985
  567    H    VAL  70           HN       VAL  70  47.854 -77.824  -7.756
  568    HA   VAL  70           HA       VAL  70  45.424 -77.377  -9.339
  569    HB   VAL  70           HB       VAL  70  47.548 -75.546  -8.369
  570   1HG1  VAL  70          HG11      VAL  70  46.824 -73.874 -10.160
  571   2HG1  VAL  70          HG12      VAL  70  46.089 -75.238 -11.001
  572   3HG1  VAL  70          HG13      VAL  70  47.832 -75.200 -10.740
  573   1HG2  VAL  70          HG21      VAL  70  44.667 -74.954  -8.917
  574   2HG2  VAL  70          HG22      VAL  70  45.788 -74.078  -7.872
  575   3HG2  VAL  70          HG23      VAL  70  45.230 -75.686  -7.414
  576    H    LEU  71           HN       LEU  71  45.601 -77.760 -11.438
  577    HA   LEU  71           HA       LEU  71  48.123 -78.941 -12.410
  578   1HB   LEU  71           HB2      LEU  71  45.272 -79.188 -13.386
  579   2HB   LEU  71           HB1      LEU  71  46.659 -79.859 -14.235
  580    HG   LEU  71           HG       LEU  71  47.248 -81.059 -12.053
  581   1HD1  LEU  71          HD11      LEU  71  44.511 -79.984 -11.375
  582   2HD1  LEU  71          HD12      LEU  71  45.971 -79.988 -10.391
  583   3HD1  LEU  71          HD13      LEU  71  45.092 -81.487 -10.663
  584   1HD2  LEU  71          HD21      LEU  71  46.364 -82.333 -13.873
  585   2HD2  LEU  71          HD22      LEU  71  44.744 -81.679 -13.631
  586   3HD2  LEU  71          HD23      LEU  71  45.427 -82.800 -12.454
  587    H    ARG  72           HN       ARG  72  49.304 -78.005 -13.926
  588    HA   ARG  72           HA       ARG  72  48.208 -75.659 -15.380
  589   1HB   ARG  72           HB2      ARG  72  50.150 -75.176 -13.929
  590   2HB   ARG  72           HB1      ARG  72  51.084 -76.408 -14.776
  591   1HG   ARG  72           HG2      ARG  72  50.825 -75.153 -16.892
  592   2HG   ARG  72           HG1      ARG  72  49.891 -73.921 -16.042
  593   1HD   ARG  72           HD2      ARG  72  51.835 -73.506 -14.560
  594   2HD   ARG  72           HD1      ARG  72  52.765 -74.689 -15.476
  595    HE   ARG  72           HE       ARG  72  51.615 -72.506 -17.035
  596   1HH1  ARG  72          HH11      ARG  72  54.173 -74.273 -17.464
  597   2HH1  ARG  72          HH12      ARG  72  55.402 -73.061 -17.316
  598   1HH2  ARG  72          HH21      ARG  72  53.283 -70.704 -15.912
  599   2HH2  ARG  72          HH22      ARG  72  54.898 -71.042 -16.441
  600    H    LEU  73           HN       LEU  73  47.739 -76.074 -17.482
  601    HA   LEU  73           HA       LEU  73  49.076 -78.361 -18.813
  602   1HB   LEU  73           HB2      LEU  73  46.538 -76.881 -19.547
  603   2HB   LEU  73           HB1      LEU  73  47.197 -78.279 -20.394
  604    HG   LEU  73           HG       LEU  73  46.323 -78.248 -17.488
  605   1HD1  LEU  73          HD11      LEU  73  44.458 -78.068 -19.126
  606   2HD1  LEU  73          HD12      LEU  73  44.439 -79.608 -18.266
  607   3HD1  LEU  73          HD13      LEU  73  45.041 -79.530 -19.922
  608   1HD2  LEU  73          HD21      LEU  73  47.605 -80.318 -19.269
  609   2HD2  LEU  73          HD22      LEU  73  46.483 -80.840 -18.012
  610   3HD2  LEU  73          HD23      LEU  73  47.935 -79.946 -17.577
  611    H    ARG  74           HN       ARG  74  50.629 -77.938 -20.202
  612    HA   ARG  74           HA       ARG  74  51.326 -75.346 -21.068
  613   1HB   ARG  74           HB2      ARG  74  52.950 -77.180 -20.902
  614   2HB   ARG  74           HB1      ARG  74  52.109 -78.048 -22.180
  615   1HG   ARG  74           HG2      ARG  74  54.098 -76.898 -23.063
  616   2HG   ARG  74           HG1      ARG  74  52.630 -76.227 -23.766
  617   1HD   ARG  74           HD2      ARG  74  52.762 -74.265 -22.455
  618   2HD   ARG  74           HD1      ARG  74  53.886 -75.001 -21.311
  619    HE   ARG  74           HE       ARG  74  54.705 -74.535 -24.119
  620   1HH1  ARG  74          HH11      ARG  74  54.716 -72.126 -22.176
  621   2HH1  ARG  74          HH12      ARG  74  56.377 -72.116 -21.685
  622   1HH2  ARG  74          HH21      ARG  74  57.021 -75.315 -22.854
  623   2HH2  ARG  74          HH22      ARG  74  57.680 -73.920 -22.067
  624    H    GLY  75           HN       GLY  75  49.580 -77.980 -22.572
  625   1HA   GLY  75           HA2      GLY  75  49.127 -76.484 -25.042
  626   2HA   GLY  75           HA1      GLY  75  48.648 -78.146 -24.721
  627    H    GLY  76           HN       GLY  76  46.745 -76.891 -25.905
  628   1HA   GLY  76           HA2      GLY  76  44.469 -76.527 -25.692
  629   2HA   GLY  76           HA1      GLY  76  44.645 -76.671 -23.946
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1  52.791 -90.398   9.287
    2   2H    MET   1           HT2      MET   1  53.679 -88.951   9.217
    3   3H    MET   1           HT3      MET   1  52.967 -89.583   7.810
    4    HA   MET   1           HA       MET   1  51.021 -89.219   9.844
    5   1HB   MET   1           HB2      MET   1  51.094 -86.735   9.838
    6   2HB   MET   1           HB1      MET   1  52.510 -87.437  10.613
    7   1HG   MET   1           HG2      MET   1  53.713 -87.220   8.401
    8   2HG   MET   1           HG1      MET   1  52.333 -86.288   7.818
    9   1HE   MET   1           HE1      MET   1  54.176 -83.138   8.264
   10   2HE   MET   1           HE2      MET   1  52.587 -83.731   7.789
   11   3HE   MET   1           HE3      MET   1  54.034 -84.556   7.215
   12    H    GLN   2           HN       GLN   2  49.129 -88.345   8.891
   13    HA   GLN   2           HA       GLN   2  49.063 -88.633   5.965
   14   1HB   GLN   2           HB2      GLN   2  46.911 -88.591   8.088
   15   2HB   GLN   2           HB1      GLN   2  46.565 -88.634   6.359
   16   1HG   GLN   2           HG2      GLN   2  47.876 -90.713   6.147
   17   2HG   GLN   2           HG1      GLN   2  48.216 -90.671   7.876
   18   1HE2  GLN   2          HE21      GLN   2  46.746 -92.814   6.514
   19   2HE2  GLN   2          HE22      GLN   2  45.180 -92.824   7.169
   20    H    ILE   3           HN       ILE   3  48.430 -87.032   4.610
   21    HA   ILE   3           HA       ILE   3  47.677 -84.409   5.723
   22    HB   ILE   3           HB       ILE   3  49.083 -83.292   4.089
   23   1HG1  ILE   3          HG12      ILE   3  50.269 -86.007   3.428
   24   2HG1  ILE   3          HG11      ILE   3  49.049 -85.239   2.416
   25   1HG2  ILE   3          HG21      ILE   3  49.952 -83.941   6.362
   26   2HG2  ILE   3          HG22      ILE   3  51.209 -83.712   5.148
   27   3HG2  ILE   3          HG23      ILE   3  50.715 -85.341   5.610
   28   1HD1  ILE   3          HD11      ILE   3  51.542 -83.735   3.192
   29   2HD1  ILE   3          HD12      ILE   3  50.469 -83.471   1.818
   30   3HD1  ILE   3          HD13      ILE   3  51.555 -84.858   1.832
   31    H    PHE   4           HN       PHE   4  46.691 -83.000   3.960
   32    HA   PHE   4           HA       PHE   4  45.161 -84.655   2.040
   33   1HB   PHE   4           HB2      PHE   4  44.141 -82.326   3.679
   34   2HB   PHE   4           HB1      PHE   4  43.231 -83.162   2.432
   35    HD1  PHE   4           HD1      PHE   4  42.784 -85.657   2.700
   36    HD2  PHE   4           HD2      PHE   4  44.262 -83.190   5.892
   37    HE1  PHE   4           HE1      PHE   4  42.059 -87.359   4.351
   38    HE2  PHE   4           HE2      PHE   4  43.536 -84.896   7.541
   39    HZ   PHE   4           HZ       PHE   4  42.437 -86.978   6.772
   40    H    VAL   5           HN       VAL   5  44.927 -83.853  -0.002
   41    HA   VAL   5           HA       VAL   5  45.989 -81.128  -0.551
   42    HB   VAL   5           HB       VAL   5  46.193 -83.534  -2.389
   43   1HG1  VAL   5          HG11      VAL   5  47.687 -81.948  -3.663
   44   2HG1  VAL   5          HG12      VAL   5  47.197 -80.669  -2.555
   45   3HG1  VAL   5          HG13      VAL   5  46.004 -81.428  -3.608
   46   1HG2  VAL   5          HG21      VAL   5  48.664 -83.269  -1.945
   47   2HG2  VAL   5          HG22      VAL   5  47.751 -83.812  -0.538
   48   3HG2  VAL   5          HG23      VAL   5  48.263 -82.129  -0.660
   49    H    LYS   6           HN       LYS   6  44.485 -79.821  -1.404
   50    HA   LYS   6           HA       LYS   6  42.034 -81.033  -2.521
   51   1HB   LYS   6           HB2      LYS   6  42.647 -78.413  -1.200
   52   2HB   LYS   6           HB1      LYS   6  41.361 -78.446  -2.407
   53   1HG   LYS   6           HG2      LYS   6  40.388 -80.431  -1.094
   54   2HG   LYS   6           HG1      LYS   6  41.530 -80.027   0.187
   55   1HD   LYS   6           HD2      LYS   6  39.292 -78.327  -0.921
   56   2HD   LYS   6           HD1      LYS   6  39.484 -78.927   0.725
   57   1HE   LYS   6           HE2      LYS   6  41.674 -77.560   0.769
   58   2HE   LYS   6           HE1      LYS   6  41.043 -76.755  -0.669
   59   1HZ   LYS   6           HZ1      LYS   6  40.114 -76.630   2.091
   60   2HZ   LYS   6           HZ2      LYS   6  38.920 -76.615   0.884
   61   3HZ   LYS   6           HZ3      LYS   6  40.133 -75.426   0.897
   62    H    THR   7           HN       THR   7  41.368 -80.664  -4.585
   63    HA   THR   7           HA       THR   7  43.338 -79.419  -6.380
   64    HB   THR   7           HB       THR   7  42.328 -80.656  -8.162
   65    HG1  THR   7           HG1      THR   7  40.342 -81.333  -8.060
   66   1HG2  THR   7          HG21      THR   7  42.464 -83.001  -7.301
   67   2HG2  THR   7          HG22      THR   7  42.600 -82.339  -5.672
   68   3HG2  THR   7          HG23      THR   7  43.844 -81.989  -6.872
   69    H    LEU   8           HN       LEU   8  42.439 -78.374  -8.288
   70    HA   LEU   8           HA       LEU   8  40.897 -76.100  -7.546
   71   1HB   LEU   8           HB2      LEU   8  41.434 -77.148 -10.335
   72   2HB   LEU   8           HB1      LEU   8  40.958 -75.506  -9.906
   73    HG   LEU   8           HG       LEU   8  43.512 -76.885  -9.060
   74   1HD1  LEU   8          HD11      LEU   8  43.484 -76.271 -11.441
   75   2HD1  LEU   8          HD12      LEU   8  44.585 -75.220 -10.551
   76   3HD1  LEU   8          HD13      LEU   8  42.992 -74.630 -11.021
   77   1HD2  LEU   8          HD21      LEU   8  44.029 -74.381  -8.422
   78   2HD2  LEU   8          HD22      LEU   8  43.086 -75.374  -7.315
   79   3HD2  LEU   8          HD23      LEU   8  42.272 -74.223  -8.375
   80    H    THR   9           HN       THR   9  39.949 -79.255  -8.626
   81    HA   THR   9           HA       THR   9  37.297 -78.283  -9.437
   82    HB   THR   9           HB       THR   9  36.904 -80.515 -10.297
   83    HG1  THR   9           HG1      THR   9  37.844 -81.852  -8.888
   84   1HG2  THR   9          HG21      THR   9  38.403 -78.873 -11.562
   85   2HG2  THR   9          HG22      THR   9  38.567 -80.570 -12.015
   86   3HG2  THR   9          HG23      THR   9  39.770 -79.816 -10.968
   87    H    GLY  10           HN       GLY  10  38.657 -78.995  -6.583
   88   1HA   GLY  10           HA2      GLY  10  37.462 -78.945  -4.556
   89   2HA   GLY  10           HA1      GLY  10  36.022 -79.481  -5.413
   90    H    LYS  11           HN       LYS  11  38.862 -81.293  -6.087
   91    HA   LYS  11           HA       LYS  11  37.741 -83.572  -4.633
   92   1HB   LYS  11           HB2      LYS  11  38.604 -83.781  -7.003
   93   2HB   LYS  11           HB1      LYS  11  40.219 -83.519  -6.365
   94   1HG   LYS  11           HG2      LYS  11  39.972 -85.475  -4.884
   95   2HG   LYS  11           HG1      LYS  11  38.347 -85.749  -5.514
   96   1HD   LYS  11           HD2      LYS  11  39.274 -86.053  -7.782
   97   2HD   LYS  11           HD1      LYS  11  40.900 -85.785  -7.152
   98   1HE   LYS  11           HE2      LYS  11  40.709 -87.754  -5.718
   99   2HE   LYS  11           HE1      LYS  11  39.042 -88.000  -6.237
  100   1HZ   LYS  11           HZ1      LYS  11  40.314 -87.890  -8.582
  101   2HZ   LYS  11           HZ2      LYS  11  39.992 -89.334  -7.746
  102   3HZ   LYS  11           HZ3      LYS  11  41.517 -88.595  -7.617
  103    H    THR  12           HN       THR  12  38.870 -84.642  -2.914
  104    HA   THR  12           HA       THR  12  41.307 -83.240  -1.932
  105    HB   THR  12           HB       THR  12  39.185 -84.641  -0.275
  106    HG1  THR  12           HG1      THR  12  38.911 -82.406  -1.284
  107   1HG2  THR  12          HG21      THR  12  40.537 -83.574   1.597
  108   2HG2  THR  12          HG22      THR  12  41.782 -83.234   0.396
  109   3HG2  THR  12          HG23      THR  12  41.340 -84.902   0.760
  110    H    ILE  13           HN       ILE  13  43.097 -84.466  -1.807
  111    HA   ILE  13           HA       ILE  13  42.800 -87.421  -1.974
  112    HB   ILE  13           HB       ILE  13  45.304 -85.864  -2.667
  113   1HG1  ILE  13          HG12      ILE  13  43.038 -86.709  -4.499
  114   2HG1  ILE  13          HG11      ILE  13  43.518 -85.053  -4.128
  115   1HG2  ILE  13          HG21      ILE  13  45.391 -88.339  -2.178
  116   2HG2  ILE  13          HG22      ILE  13  45.924 -87.906  -3.802
  117   3HG2  ILE  13          HG23      ILE  13  44.317 -88.589  -3.555
  118   1HD1  ILE  13          HD11      ILE  13  45.061 -87.129  -5.684
  119   2HD1  ILE  13          HD12      ILE  13  45.832 -85.685  -5.027
  120   3HD1  ILE  13          HD13      ILE  13  44.537 -85.530  -6.215
  121    H    THR  14           HN       THR  14  43.765 -88.690  -0.459
  122    HA   THR  14           HA       THR  14  45.079 -87.315   1.798
  123    HB   THR  14           HB       THR  14  43.845 -90.083   1.631
  124    HG1  THR  14           HG1      THR  14  42.458 -88.145   1.610
  125   1HG2  THR  14          HG21      THR  14  44.101 -89.957   4.138
  126   2HG2  THR  14          HG22      THR  14  45.092 -88.517   3.901
  127   3HG2  THR  14          HG23      THR  14  45.624 -90.069   3.256
  128    H    LEU  15           HN       LEU  15  47.213 -87.684   2.175
  129    HA   LEU  15           HA       LEU  15  48.522 -89.918   0.717
  130   1HB   LEU  15           HB2      LEU  15  49.601 -87.127   1.152
  131   2HB   LEU  15           HB1      LEU  15  50.473 -88.454   0.392
  132    HG   LEU  15           HG       LEU  15  47.825 -87.375  -0.623
  133   1HD1  LEU  15          HD11      LEU  15  49.711 -85.706  -0.704
  134   2HD1  LEU  15          HD12      LEU  15  49.079 -86.153  -2.288
  135   3HD1  LEU  15          HD13      LEU  15  50.600 -86.842  -1.719
  136   1HD2  LEU  15          HD21      LEU  15  48.061 -89.545  -1.511
  137   2HD2  LEU  15          HD22      LEU  15  49.817 -89.425  -1.604
  138   3HD2  LEU  15          HD23      LEU  15  48.811 -88.554  -2.759
  139    H    GLU  16           HN       GLU  16  50.290 -90.885   1.745
  140    HA   GLU  16           HA       GLU  16  50.504 -90.334   4.648
  141   1HB   GLU  16           HB2      GLU  16  50.671 -92.811   3.009
  142   2HB   GLU  16           HB1      GLU  16  51.985 -92.656   4.166
  143   1HG   GLU  16           HG2      GLU  16  49.062 -92.343   4.903
  144   2HG   GLU  16           HG1      GLU  16  49.940 -93.866   5.032
  145    H    VAL  17           HN       VAL  17  52.231 -89.191   5.268
  146    HA   VAL  17           HA       VAL  17  54.709 -89.309   3.664
  147    HB   VAL  17           HB       VAL  17  54.902 -86.846   3.810
  148   1HG1  VAL  17          HG11      VAL  17  53.360 -86.341   2.037
  149   2HG1  VAL  17          HG12      VAL  17  52.278 -87.644   2.528
  150   3HG1  VAL  17          HG13      VAL  17  53.851 -88.021   1.826
  151   1HG2  VAL  17          HG21      VAL  17  53.539 -86.427   5.764
  152   2HG2  VAL  17          HG22      VAL  17  52.117 -87.113   4.977
  153   3HG2  VAL  17          HG23      VAL  17  52.795 -85.589   4.401
  154    H    GLU  18           HN       GLU  18  56.505 -88.224   4.737
  155    HA   GLU  18           HA       GLU  18  56.369 -88.438   7.685
  156   1HB   GLU  18           HB2      GLU  18  58.659 -89.093   5.802
  157   2HB   GLU  18           HB1      GLU  18  58.820 -89.006   7.553
  158   1HG   GLU  18           HG2      GLU  18  56.752 -90.773   6.235
  159   2HG   GLU  18           HG1      GLU  18  58.397 -91.334   6.527
  160    HA   PRO  19           HA       PRO  19  57.430 -84.141   7.578
  161   1HB   PRO  19           HB2      PRO  19  59.465 -84.479   9.727
  162   2HB   PRO  19           HB1      PRO  19  58.029 -83.433   9.677
  163   1HG   PRO  19           HG2      PRO  19  58.075 -85.671  11.171
  164   2HG   PRO  19           HG1      PRO  19  56.610 -85.122  10.341
  165   1HD   PRO  19           HD2      PRO  19  58.480 -87.354   9.542
  166   2HD   PRO  19           HD1      PRO  19  56.701 -87.256   9.452
  167    H    SER  20           HN       SER  20  60.021 -86.487   7.422
  168    HA   SER  20           HA       SER  20  61.972 -84.558   6.463
  169   1HB   SER  20           HB2      SER  20  62.403 -86.683   7.891
  170   2HB   SER  20           HB1      SER  20  62.373 -87.528   6.347
  171    HG   SER  20           HG       SER  20  64.454 -86.880   6.661
  172    H    ASP  21           HN       ASP  21  59.372 -86.011   4.981
  173    HA   ASP  21           HA       ASP  21  60.589 -86.832   2.518
  174   1HB   ASP  21           HB2      ASP  21  57.773 -86.153   3.369
  175   2HB   ASP  21           HB1      ASP  21  58.162 -86.475   1.680
  176    H    THR  22           HN       THR  22  60.827 -85.688   0.678
  177    HA   THR  22           HA       THR  22  60.982 -82.804   0.917
  178    HB   THR  22           HB       THR  22  62.044 -82.850  -1.246
  179    HG1  THR  22           HG1      THR  22  61.529 -84.392  -2.523
  180   1HG2  THR  22          HG21      THR  22  63.063 -85.001   0.622
  181   2HG2  THR  22          HG22      THR  22  63.529 -83.300   0.609
  182   3HG2  THR  22          HG23      THR  22  63.984 -84.349  -0.734
  183    H    ILE  23           HN       ILE  23  60.019 -81.411  -0.627
  184    HA   ILE  23           HA       ILE  23  57.282 -81.908  -1.173
  185    HB   ILE  23           HB       ILE  23  59.231 -79.894  -2.259
  186   1HG1  ILE  23          HG12      ILE  23  58.889 -79.725   0.129
  187   2HG1  ILE  23          HG11      ILE  23  58.134 -78.358  -0.659
  188   1HG2  ILE  23          HG21      ILE  23  57.449 -80.039  -3.855
  189   2HG2  ILE  23          HG22      ILE  23  57.165 -78.596  -2.882
  190   3HG2  ILE  23          HG23      ILE  23  56.237 -80.064  -2.574
  191   1HD1  ILE  23          HD11      ILE  23  56.443 -78.973   0.786
  192   2HD1  ILE  23          HD12      ILE  23  56.869 -80.679   0.717
  193   3HD1  ILE  23          HD13      ILE  23  55.993 -79.940  -0.618
  194    H    GLU  24           HN       GLU  24  60.203 -82.264  -3.155
  195    HA   GLU  24           HA       GLU  24  58.892 -82.841  -5.588
  196   1HB   GLU  24           HB2      GLU  24  61.341 -82.399  -5.421
  197   2HB   GLU  24           HB1      GLU  24  61.545 -83.943  -4.598
  198   1HG   GLU  24           HG2      GLU  24  60.643 -85.121  -6.574
  199   2HG   GLU  24           HG1      GLU  24  60.438 -83.576  -7.398
  200    H    ASN  25           HN       ASN  25  59.789 -84.866  -2.810
  201    HA   ASN  25           HA       ASN  25  59.035 -87.340  -4.021
  202   1HB   ASN  25           HB2      ASN  25  59.236 -86.495  -1.126
  203   2HB   ASN  25           HB1      ASN  25  58.746 -88.122  -1.604
  204   1HD2  ASN  25          HD21      ASN  25  60.419 -89.087  -3.380
  205   2HD2  ASN  25          HD22      ASN  25  62.053 -88.869  -2.984
  206    H    VAL  26           HN       VAL  26  57.262 -84.932  -2.118
  207    HA   VAL  26           HA       VAL  26  54.828 -86.410  -1.951
  208    HB   VAL  26           HB       VAL  26  55.330 -83.418  -1.894
  209   1HG1  VAL  26          HG11      VAL  26  52.833 -85.052  -1.441
  210   2HG1  VAL  26          HG12      VAL  26  53.050 -83.657  -2.497
  211   3HG1  VAL  26          HG13      VAL  26  53.029 -83.443  -0.747
  212   1HG2  VAL  26          HG21      VAL  26  55.265 -83.614   0.478
  213   2HG2  VAL  26          HG22      VAL  26  56.307 -84.927  -0.067
  214   3HG2  VAL  26          HG23      VAL  26  54.640 -85.260   0.400
  215    H    LYS  27           HN       LYS  27  56.006 -84.075  -4.377
  216    HA   LYS  27           HA       LYS  27  53.684 -84.023  -5.958
  217   1HB   LYS  27           HB2      LYS  27  56.600 -83.800  -6.765
  218   2HB   LYS  27           HB1      LYS  27  55.239 -83.498  -7.834
  219   1HG   LYS  27           HG2      LYS  27  54.577 -81.806  -5.775
  220   2HG   LYS  27           HG1      LYS  27  56.360 -81.758  -5.679
  221   1HD   LYS  27           HD2      LYS  27  56.277 -81.409  -8.223
  222   2HD   LYS  27           HD1      LYS  27  54.591 -80.984  -7.959
  223   1HE   LYS  27           HE2      LYS  27  56.985 -79.686  -6.623
  224   2HE   LYS  27           HE1      LYS  27  55.981 -78.965  -7.882
  225   1HZ   LYS  27           HZ1      LYS  27  54.090 -79.530  -6.191
  226   2HZ   LYS  27           HZ2      LYS  27  55.009 -78.111  -6.022
  227   3HZ   LYS  27           HZ3      LYS  27  55.357 -79.470  -5.065
  228    H    ALA  28           HN       ALA  28  56.478 -86.202  -5.879
  229    HA   ALA  28           HA       ALA  28  55.836 -87.695  -8.177
  230   1HB   ALA  28           HB1      ALA  28  57.274 -89.487  -7.063
  231   2HB   ALA  28           HB2      ALA  28  57.477 -88.345  -5.734
  232   3HB   ALA  28           HB3      ALA  28  58.040 -87.925  -7.352
  233    H    LYS  29           HN       LYS  29  54.858 -88.031  -4.809
  234    HA   LYS  29           HA       LYS  29  53.552 -90.544  -5.090
  235   1HB   LYS  29           HB2      LYS  29  53.177 -88.258  -3.136
  236   2HB   LYS  29           HB1      LYS  29  52.316 -89.791  -3.011
  237   1HG   LYS  29           HG2      LYS  29  54.446 -91.002  -2.859
  238   2HG   LYS  29           HG1      LYS  29  55.334 -89.489  -3.040
  239   1HD   LYS  29           HD2      LYS  29  54.348 -88.631  -0.966
  240   2HD   LYS  29           HD1      LYS  29  53.393 -90.102  -0.791
  241   1HE   LYS  29           HE2      LYS  29  56.348 -90.466  -1.081
  242   2HE   LYS  29           HE1      LYS  29  55.775 -89.780   0.439
  243   1HZ   LYS  29           HZ1      LYS  29  55.051 -92.375  -0.780
  244   2HZ   LYS  29           HZ2      LYS  29  54.121 -91.668   0.453
  245   3HZ   LYS  29           HZ3      LYS  29  55.743 -92.083   0.741
  246    H    ILE  30           HN       ILE  30  52.503 -87.177  -5.485
  247    HA   ILE  30           HA       ILE  30  49.731 -87.733  -5.976
  248    HB   ILE  30           HB       ILE  30  51.502 -85.385  -6.674
  249   1HG1  ILE  30          HG12      ILE  30  49.340 -85.895  -4.602
  250   2HG1  ILE  30          HG11      ILE  30  51.073 -85.733  -4.298
  251   1HG2  ILE  30          HG21      ILE  30  49.706 -85.478  -8.339
  252   2HG2  ILE  30          HG22      ILE  30  49.320 -84.214  -7.183
  253   3HG2  ILE  30          HG23      ILE  30  48.512 -85.776  -7.079
  254   1HD1  ILE  30          HD11      ILE  30  50.249 -83.606  -3.759
  255   2HD1  ILE  30          HD12      ILE  30  49.071 -83.626  -5.073
  256   3HD1  ILE  30          HD13      ILE  30  50.786 -83.392  -5.426
  257    H    GLN  31           HN       GLN  31  52.585 -87.522  -8.094
  258    HA   GLN  31           HA       GLN  31  51.238 -87.708 -10.557
  259   1HB   GLN  31           HB2      GLN  31  53.633 -87.166 -10.364
  260   2HB   GLN  31           HB1      GLN  31  53.956 -88.777  -9.723
  261   1HG   GLN  31           HG2      GLN  31  53.242 -89.786 -11.837
  262   2HG   GLN  31           HG1      GLN  31  52.804 -88.202 -12.476
  263   1HE2  GLN  31          HE21      GLN  31  54.579 -89.322 -14.091
  264   2HE2  GLN  31          HE22      GLN  31  56.166 -88.782 -13.819
  265    H    ASP  32           HN       ASP  32  52.496 -90.151  -8.363
  266    HA   ASP  32           HA       ASP  32  51.949 -92.433  -9.906
  267   1HB   ASP  32           HB2      ASP  32  52.008 -92.021  -6.918
  268   2HB   ASP  32           HB1      ASP  32  51.877 -93.613  -7.682
  269    H    LYS  33           HN       LYS  33  49.936 -90.674  -7.581
  270    HA   LYS  33           HA       LYS  33  47.738 -92.526  -7.798
  271   1HB   LYS  33           HB2      LYS  33  47.839 -89.778  -6.576
  272   2HB   LYS  33           HB1      LYS  33  46.583 -90.976  -6.294
  273   1HG   LYS  33           HG2      LYS  33  48.929 -92.379  -5.660
  274   2HG   LYS  33           HG1      LYS  33  49.236 -90.763  -5.031
  275   1HD   LYS  33           HD2      LYS  33  47.090 -90.832  -3.806
  276   2HD   LYS  33           HD1      LYS  33  46.802 -92.458  -4.423
  277   1HE   LYS  33           HE2      LYS  33  47.794 -92.316  -2.078
  278   2HE   LYS  33           HE1      LYS  33  48.660 -93.349  -3.217
  279   1HZ   LYS  33           HZ1      LYS  33  50.421 -91.984  -3.243
  280   2HZ   LYS  33           HZ2      LYS  33  49.806 -91.423  -1.762
  281   3HZ   LYS  33           HZ3      LYS  33  49.480 -90.574  -3.198
  282    H    GLU  34           HN       GLU  34  48.307 -89.227  -9.069
  283    HA   GLU  34           HA       GLU  34  45.657 -89.380 -10.396
  284   1HB   GLU  34           HB2      GLU  34  47.365 -87.066  -9.513
  285   2HB   GLU  34           HB1      GLU  34  45.900 -86.882 -10.483
  286   1HG   GLU  34           HG2      GLU  34  46.016 -88.427  -7.902
  287   2HG   GLU  34           HG1      GLU  34  45.583 -86.699  -7.933
  288    H    GLY  35           HN       GLY  35  48.986 -89.379 -11.255
  289   1HA   GLY  35           HA2      GLY  35  49.860 -89.679 -13.374
  290   2HA   GLY  35           HA1      GLY  35  48.257 -89.430 -14.058
  291    H    ILE  36           HN       ILE  36  49.092 -86.957 -11.932
  292    HA   ILE  36           HA       ILE  36  49.344 -85.044 -14.104
  293    HB   ILE  36           HB       ILE  36  49.518 -84.582 -11.132
  294   1HG1  ILE  36          HG12      ILE  36  47.010 -84.162 -12.765
  295   2HG1  ILE  36          HG11      ILE  36  47.359 -85.755 -12.106
  296   1HG2  ILE  36          HG21      ILE  36  48.672 -82.725 -13.375
  297   2HG2  ILE  36          HG22      ILE  36  50.300 -82.760 -12.703
  298   3HG2  ILE  36          HG23      ILE  36  48.937 -82.296 -11.687
  299   1HD1  ILE  36          HD11      ILE  36  47.570 -84.759  -9.840
  300   2HD1  ILE  36          HD12      ILE  36  45.969 -84.501 -10.533
  301   3HD1  ILE  36          HD13      ILE  36  47.143 -83.186 -10.514
  302    HA   PRO  37           HA       PRO  37  53.843 -85.542 -13.788
  303   1HB   PRO  37           HB2      PRO  37  54.012 -83.160 -15.576
  304   2HB   PRO  37           HB1      PRO  37  54.720 -84.773 -15.797
  305   1HG   PRO  37           HG2      PRO  37  52.597 -83.952 -17.219
  306   2HG   PRO  37           HG1      PRO  37  52.796 -85.638 -16.714
  307   1HD   PRO  37           HD2      PRO  37  50.979 -83.540 -15.554
  308   2HD   PRO  37           HD1      PRO  37  50.717 -85.287 -15.783
  309    HA   PRO  38           HA       PRO  38  54.673 -82.622 -10.499
  310   1HB   PRO  38           HB2      PRO  38  57.572 -82.902 -11.258
  311   2HB   PRO  38           HB1      PRO  38  56.809 -83.151  -9.679
  312   1HG   PRO  38           HG2      PRO  38  57.605 -85.213 -11.135
  313   2HG   PRO  38           HG1      PRO  38  56.089 -85.278 -10.211
  314   1HD   PRO  38           HD2      PRO  38  56.479 -84.896 -13.166
  315   2HD   PRO  38           HD1      PRO  38  55.243 -85.819 -12.282
  316    H    ASP  39           HN       ASP  39  56.240 -81.977 -13.624
  317    HA   ASP  39           HA       ASP  39  57.011 -79.339 -12.879
  318   1HB   ASP  39           HB2      ASP  39  56.735 -80.660 -15.575
  319   2HB   ASP  39           HB1      ASP  39  57.268 -78.974 -15.343
  320    H    GLN  40           HN       GLN  40  53.961 -80.621 -13.708
  321    HA   GLN  40           HA       GLN  40  52.941 -77.983 -14.553
  322   1HB   GLN  40           HB2      GLN  40  51.671 -80.726 -14.657
  323   2HB   GLN  40           HB1      GLN  40  50.864 -79.230 -15.120
  324   1HG   GLN  40           HG2      GLN  40  53.476 -80.200 -16.309
  325   2HG   GLN  40           HG1      GLN  40  51.899 -80.477 -17.043
  326   1HE2  GLN  40          HE21      GLN  40  54.510 -78.285 -16.905
  327   2HE2  GLN  40          HE22      GLN  40  53.741 -76.960 -17.636
  328    H    GLN  41           HN       GLN  41  53.456 -79.488 -11.728
  329    HA   GLN  41           HA       GLN  41  50.888 -78.672 -10.476
  330   1HB   GLN  41           HB2      GLN  41  53.086 -80.525  -9.607
  331   2HB   GLN  41           HB1      GLN  41  51.774 -80.041  -8.539
  332   1HG   GLN  41           HG2      GLN  41  50.157 -80.930 -10.230
  333   2HG   GLN  41           HG1      GLN  41  51.533 -81.515 -11.171
  334   1HE2  GLN  41          HE21      GLN  41  52.952 -81.965  -8.437
  335   2HE2  GLN  41          HE22      GLN  41  52.329 -83.455  -7.924
  336    H    ARG  42           HN       ARG  42  50.748 -77.221  -8.895
  337    HA   ARG  42           HA       ARG  42  53.200 -76.042  -7.738
  338   1HB   ARG  42           HB2      ARG  42  50.814 -74.659  -8.913
  339   2HB   ARG  42           HB1      ARG  42  51.616 -73.915  -7.531
  340   1HG   ARG  42           HG2      ARG  42  53.755 -73.976  -8.773
  341   2HG   ARG  42           HG1      ARG  42  52.923 -74.692 -10.153
  342   1HD   ARG  42           HD2      ARG  42  51.580 -72.732 -10.470
  343   2HD   ARG  42           HD1      ARG  42  52.107 -72.046  -8.935
  344    HE   ARG  42           HE       ARG  42  54.213 -72.549 -10.896
  345   1HH1  ARG  42          HH21      ARG  42  51.741 -70.380 -11.085
  346   2HH1  ARG  42          HH22      ARG  42  52.693 -68.946 -10.890
  347   1HH2  ARG  42          HH11      ARG  42  55.558 -70.656  -9.947
  348   2HH2  ARG  42          HH12      ARG  42  54.854 -69.102 -10.247
  349    H    LEU  43           HN       LEU  43  53.222 -76.352  -5.581
  350    HA   LEU  43           HA       LEU  43  50.668 -76.943  -4.207
  351   1HB   LEU  43           HB2      LEU  43  53.536 -77.668  -3.554
  352   2HB   LEU  43           HB1      LEU  43  52.182 -77.888  -2.447
  353    HG   LEU  43           HG       LEU  43  52.272 -79.099  -5.233
  354   1HD1  LEU  43          HD11      LEU  43  54.116 -79.984  -3.865
  355   2HD1  LEU  43          HD12      LEU  43  52.863 -81.210  -4.056
  356   3HD1  LEU  43          HD13      LEU  43  52.996 -80.312  -2.544
  357   1HD2  LEU  43          HD21      LEU  43  50.477 -79.395  -2.807
  358   2HD2  LEU  43          HD22      LEU  43  50.586 -80.675  -4.012
  359   3HD2  LEU  43          HD23      LEU  43  50.010 -79.081  -4.474
  360    H    ILE  44           HN       ILE  44  49.884 -75.645  -2.747
  361    HA   ILE  44           HA       ILE  44  51.581 -73.473  -1.648
  362    HB   ILE  44           HB       ILE  44  48.774 -73.423  -2.760
  363   1HG1  ILE  44          HG12      ILE  44  49.872 -71.055  -3.445
  364   2HG1  ILE  44          HG11      ILE  44  51.358 -71.949  -3.261
  365   1HG2  ILE  44          HG21      ILE  44  48.369 -72.448  -0.636
  366   2HG2  ILE  44          HG22      ILE  44  48.644 -71.073  -1.703
  367   3HG2  ILE  44          HG23      ILE  44  49.926 -71.619  -0.622
  368   1HD1  ILE  44          HD11      ILE  44  50.989 -72.473  -5.435
  369   2HD1  ILE  44          HD12      ILE  44  49.242 -72.247  -5.310
  370   3HD1  ILE  44          HD13      ILE  44  49.984 -73.743  -4.739
  371    H    PHE  45           HN       PHE  45  51.507 -73.113   0.457
  372    HA   PHE  45           HA       PHE  45  49.424 -74.370   2.103
  373   1HB   PHE  45           HB2      PHE  45  51.258 -75.964   2.209
  374   2HB   PHE  45           HB1      PHE  45  52.403 -74.675   2.567
  375    HD1  PHE  45           HD1      PHE  45  52.479 -73.612   4.750
  376    HD2  PHE  45           HD2      PHE  45  49.600 -76.679   3.883
  377    HE1  PHE  45           HE1      PHE  45  51.961 -73.808   7.167
  378    HE2  PHE  45           HE2      PHE  45  49.083 -76.873   6.300
  379    HZ   PHE  45           HZ       PHE  45  50.264 -75.440   7.942
  380    H    ALA  46           HN       ALA  46  48.647 -72.956   3.496
  381    HA   ALA  46           HA       ALA  46  48.311 -70.976   4.572
  382   1HB   ALA  46           HB1      ALA  46  50.088 -70.354   6.131
  383   2HB   ALA  46           HB2      ALA  46  51.228 -71.376   5.255
  384   3HB   ALA  46           HB3      ALA  46  49.863 -72.103   6.102
  385    H    GLY  47           HN       GLY  47  48.838 -70.660   1.822
  386   1HA   GLY  47           HA2      GLY  47  48.940 -68.769   0.468
  387   2HA   GLY  47           HA1      GLY  47  49.538 -67.869   1.843
  388    H    LYS  48           HN       LYS  48  51.593 -70.502   1.589
  389    HA   LYS  48           HA       LYS  48  53.487 -68.923  -0.073
  390   1HB   LYS  48           HB2      LYS  48  54.041 -70.997   2.025
  391   2HB   LYS  48           HB1      LYS  48  55.267 -70.056   1.196
  392   1HG   LYS  48           HG2      LYS  48  54.293 -67.960   2.122
  393   2HG   LYS  48           HG1      LYS  48  53.102 -68.911   2.997
  394   1HD   LYS  48           HD2      LYS  48  56.091 -69.283   3.334
  395   2HD   LYS  48           HD1      LYS  48  55.141 -68.198   4.345
  396   1HE   LYS  48           HE2      LYS  48  53.637 -70.252   4.808
  397   2HE   LYS  48           HE1      LYS  48  54.964 -71.205   4.143
  398   1HZ   LYS  48           HZ1      LYS  48  56.082 -69.388   5.913
  399   2HZ   LYS  48           HZ2      LYS  48  55.948 -71.072   6.101
  400   3HZ   LYS  48           HZ3      LYS  48  54.733 -70.047   6.702
  401    H    GLN  49           HN       GLN  49  54.529 -69.845  -1.771
  402    HA   GLN  49           HA       GLN  49  53.557 -72.388  -2.782
  403   1HB   GLN  49           HB2      GLN  49  54.198 -70.257  -4.103
  404   2HB   GLN  49           HB1      GLN  49  55.866 -70.781  -3.894
  405   1HG   GLN  49           HG2      GLN  49  55.437 -72.871  -5.034
  406   2HG   GLN  49           HG1      GLN  49  53.706 -72.543  -5.090
  407   1HE2  GLN  49          HE21      GLN  49  54.830 -69.555  -5.629
  408   2HE2  GLN  49          HE22      GLN  49  55.027 -69.585  -7.314
  409    H    LEU  50           HN       LEU  50  54.535 -74.333  -2.422
  410    HA   LEU  50           HA       LEU  50  56.934 -74.402  -0.763
  411   1HB   LEU  50           HB2      LEU  50  55.324 -76.722  -1.851
  412   2HB   LEU  50           HB1      LEU  50  56.495 -76.748  -0.544
  413    HG   LEU  50           HG       LEU  50  53.933 -75.140  -0.539
  414   1HD1  LEU  50          HD11      LEU  50  54.579 -77.590   1.119
  415   2HD1  LEU  50          HD12      LEU  50  53.732 -77.691  -0.425
  416   3HD1  LEU  50          HD13      LEU  50  53.015 -76.802   0.918
  417   1HD2  LEU  50          HD21      LEU  50  56.208 -75.480   1.409
  418   2HD2  LEU  50          HD22      LEU  50  54.595 -75.140   2.017
  419   3HD2  LEU  50          HD23      LEU  50  55.379 -74.003   0.925
  420    H    GLU  51           HN       GLU  51  58.949 -74.996  -1.381
  421    HA   GLU  51           HA       GLU  51  59.423 -75.313  -4.251
  422   1HB   GLU  51           HB2      GLU  51  61.272 -74.808  -1.914
  423   2HB   GLU  51           HB1      GLU  51  61.847 -75.070  -3.562
  424   1HG   GLU  51           HG2      GLU  51  60.509 -73.189  -4.361
  425   2HG   GLU  51           HG1      GLU  51  59.906 -72.882  -2.739
  426    H    ASP  52           HN       ASP  52  60.625 -76.955  -5.202
  427    HA   ASP  52           HA       ASP  52  60.098 -79.559  -4.236
  428   1HB   ASP  52           HB2      ASP  52  61.799 -78.550  -6.505
  429   2HB   ASP  52           HB1      ASP  52  61.527 -80.253  -6.180
  430    H    GLY  53           HN       GLY  53  62.840 -77.504  -3.662
  431   1HA   GLY  53           HA2      GLY  53  64.555 -79.783  -2.945
  432   2HA   GLY  53           HA1      GLY  53  65.029 -78.093  -2.994
  433    H    ARG  54           HN       ARG  54  62.140 -78.233  -1.309
  434    HA   ARG  54           HA       ARG  54  63.580 -78.356   1.303
  435   1HB   ARG  54           HB2      ARG  54  61.065 -76.904   0.501
  436   2HB   ARG  54           HB1      ARG  54  61.728 -76.917   2.131
  437   1HG   ARG  54           HG2      ARG  54  62.975 -75.689  -0.362
  438   2HG   ARG  54           HG1      ARG  54  62.365 -74.862   1.039
  439   1HD   ARG  54           HD2      ARG  54  64.100 -76.132   2.424
  440   2HD   ARG  54           HD1      ARG  54  64.855 -76.570   0.892
  441    HE   ARG  54           HE       ARG  54  65.566 -74.368   0.653
  442   1HH1  ARG  54          HH11      ARG  54  64.344 -74.850   3.749
  443   2HH1  ARG  54          HH12      ARG  54  64.108 -73.174   4.116
  444   1HH2  ARG  54          HH21      ARG  54  64.785 -72.099   0.891
  445   2HH2  ARG  54          HH22      ARG  54  64.357 -71.617   2.499
  446    H    THR  55           HN       THR  55  62.197 -79.049   3.190
  447    HA   THR  55           HA       THR  55  60.532 -81.387   2.441
  448    HB   THR  55           HB       THR  55  60.983 -82.313   4.616
  449    HG1  THR  55           HG1      THR  55  62.588 -80.016   5.036
  450   1HG2  THR  55          HG21      THR  55  63.220 -82.943   4.281
  451   2HG2  THR  55          HG22      THR  55  63.659 -81.365   3.617
  452   3HG2  THR  55          HG23      THR  55  62.678 -82.479   2.665
  453    H    LEU  56           HN       LEU  56  58.864 -82.010   3.986
  454    HA   LEU  56           HA       LEU  56  56.888 -80.010   4.351
  455   1HB   LEU  56           HB2      LEU  56  57.158 -82.669   5.767
  456   2HB   LEU  56           HB1      LEU  56  55.704 -81.674   5.726
  457    HG   LEU  56           HG       LEU  56  57.063 -82.812   3.268
  458   1HD1  LEU  56          HD11      LEU  56  54.737 -83.811   4.923
  459   2HD1  LEU  56          HD12      LEU  56  56.241 -84.658   4.558
  460   3HD1  LEU  56          HD13      LEU  56  55.061 -84.364   3.280
  461   1HD2  LEU  56          HD21      LEU  56  54.702 -82.317   2.332
  462   2HD2  LEU  56          HD22      LEU  56  55.713 -80.916   2.644
  463   3HD2  LEU  56          HD23      LEU  56  54.449 -81.354   3.783
  464    H    SER  57           HN       SER  57  59.217 -81.380   6.715
  465    HA   SER  57           HA       SER  57  58.117 -80.052   8.913
  466   1HB   SER  57           HB2      SER  57  59.688 -81.821   9.332
  467   2HB   SER  57           HB1      SER  57  60.947 -80.978   8.426
  468    HG   SER  57           HG       SER  57  61.066 -79.467  10.023
  469    H    ASP  58           HN       ASP  58  60.300 -78.873   6.448
  470    HA   ASP  58           HA       ASP  58  61.205 -76.573   7.812
  471   1HB   ASP  58           HB2      ASP  58  60.828 -77.142   4.869
  472   2HB   ASP  58           HB1      ASP  58  61.506 -75.638   5.453
  473    H    TYR  59           HN       TYR  59  58.154 -77.271   6.218
  474    HA   TYR  59           HA       TYR  59  57.323 -74.448   6.475
  475   1HB   TYR  59           HB2      TYR  59  56.048 -76.801   5.049
  476   2HB   TYR  59           HB1      TYR  59  55.287 -75.215   5.214
  477    HD1  TYR  59           HD1      TYR  59  57.990 -77.142   3.675
  478    HD2  TYR  59           HD2      TYR  59  56.220 -73.252   4.060
  479    HE1  TYR  59           HE1      TYR  59  59.307 -76.351   1.752
  480    HE2  TYR  59           HE2      TYR  59  57.552 -72.455   2.124
  481    HH   TYR  59           HH       TYR  59  59.950 -74.564   0.561
  482    H    ASN  60           HN       ASN  60  57.520 -76.736   8.601
  483    HA   ASN  60           HA       ASN  60  56.401 -77.437  10.439
  484   1HB   ASN  60           HB2      ASN  60  55.307 -74.648  10.094
  485   2HB   ASN  60           HB1      ASN  60  54.967 -75.644  11.508
  486   1HD2  ASN  60          HD21      ASN  60  56.630 -73.108  11.266
  487   2HD2  ASN  60          HD22      ASN  60  58.148 -73.529  11.898
  488    H    ILE  61           HN       ILE  61  55.252 -78.418   8.072
  489    HA   ILE  61           HA       ILE  61  52.358 -78.149   8.318
  490    HB   ILE  61           HB       ILE  61  54.123 -79.894   6.565
  491   1HG1  ILE  61          HG12      ILE  61  52.368 -77.511   5.913
  492   2HG1  ILE  61          HG11      ILE  61  54.106 -77.413   6.176
  493   1HG2  ILE  61          HG21      ILE  61  52.102 -80.481   5.333
  494   2HG2  ILE  61          HG22      ILE  61  51.129 -79.468   6.394
  495   3HG2  ILE  61          HG23      ILE  61  51.875 -80.935   7.021
  496   1HD1  ILE  61          HD11      ILE  61  54.440 -79.039   4.312
  497   2HD1  ILE  61          HD12      ILE  61  53.661 -77.548   3.782
  498   3HD1  ILE  61          HD13      ILE  61  52.701 -79.009   4.016
  499    H    GLN  62           HN       GLN  62  51.197 -79.266   9.727
  500    HA   GLN  62           HA       GLN  62  52.423 -81.583  11.083
  501   1HB   GLN  62           HB2      GLN  62  50.236 -79.654  11.920
  502   2HB   GLN  62           HB1      GLN  62  50.720 -81.061  12.863
  503   1HG   GLN  62           HG2      GLN  62  52.605 -78.846  12.012
  504   2HG   GLN  62           HG1      GLN  62  51.841 -78.944  13.599
  505   1HE2  GLN  62          HE21      GLN  62  52.041 -81.804  13.963
  506   2HE2  GLN  62          HE22      GLN  62  53.686 -82.186  14.140
  507    H    LYS  63           HN       LYS  63  50.848 -83.193  11.956
  508    HA   LYS  63           HA       LYS  63  49.639 -84.565   9.896
  509   1HB   LYS  63           HB2      LYS  63  48.406 -85.886  11.543
  510   2HB   LYS  63           HB1      LYS  63  50.092 -85.667  12.017
  511   1HG   LYS  63           HG2      LYS  63  49.338 -83.690  13.411
  512   2HG   LYS  63           HG1      LYS  63  47.677 -84.189  13.088
  513   1HD   LYS  63           HD2      LYS  63  48.220 -86.442  14.034
  514   2HD   LYS  63           HD1      LYS  63  49.817 -85.832  14.469
  515   1HE   LYS  63           HE2      LYS  63  48.788 -84.100  15.880
  516   2HE   LYS  63           HE1      LYS  63  47.183 -84.675  15.430
  517   1HZ   LYS  63           HZ1      LYS  63  47.611 -85.719  17.441
  518   2HZ   LYS  63           HZ2      LYS  63  49.238 -86.027  17.061
  519   3HZ   LYS  63           HZ3      LYS  63  48.003 -86.913  16.303
  520    H    GLU  64           HN       GLU  64  47.677 -84.740   9.020
  521    HA   GLU  64           HA       GLU  64  45.612 -84.143   8.266
  522   1HB   GLU  64           HB2      GLU  64  45.218 -82.988  11.029
  523   2HB   GLU  64           HB1      GLU  64  43.957 -83.139   9.814
  524   1HG   GLU  64           HG2      GLU  64  44.458 -85.605   9.716
  525   2HG   GLU  64           HG1      GLU  64  45.482 -85.392  11.148
  526    H    SER  65           HN       SER  65  47.925 -82.294   8.078
  527    HA   SER  65           HA       SER  65  46.705 -79.659   7.890
  528   1HB   SER  65           HB2      SER  65  49.324 -80.823   6.941
  529   2HB   SER  65           HB1      SER  65  48.836 -79.167   6.602
  530    HG   SER  65           HG       SER  65  48.630 -80.072   9.232
  531    H    THR  66           HN       THR  66  46.115 -78.618   5.954
  532    HA   THR  66           HA       THR  66  45.583 -80.436   3.670
  533    HB   THR  66           HB       THR  66  44.094 -77.934   4.516
  534    HG1  THR  66           HG1      THR  66  43.658 -79.700   5.849
  535   1HG2  THR  66          HG21      THR  66  43.735 -79.884   2.231
  536   2HG2  THR  66          HG22      THR  66  43.995 -78.143   2.128
  537   3HG2  THR  66          HG23      THR  66  42.469 -78.772   2.752
  538    H    LEU  67           HN       LEU  67  46.685 -80.014   1.897
  539    HA   LEU  67           HA       LEU  67  47.959 -77.366   1.519
  540   1HB   LEU  67           HB2      LEU  67  48.527 -79.938   0.029
  541   2HB   LEU  67           HB1      LEU  67  49.444 -78.442  -0.044
  542    HG   LEU  67           HG       LEU  67  49.697 -78.851   2.589
  543   1HD1  LEU  67          HD11      LEU  67  48.332 -80.787   2.849
  544   2HD1  LEU  67          HD12      LEU  67  50.005 -81.314   2.989
  545   3HD1  LEU  67          HD13      LEU  67  49.115 -81.602   1.497
  546   1HD2  LEU  67          HD21      LEU  67  51.229 -80.278   0.409
  547   2HD2  LEU  67          HD22      LEU  67  51.770 -80.185   2.085
  548   3HD2  LEU  67          HD23      LEU  67  51.602 -78.711   1.130
  549    H    HIS  68           HN       HIS  68  47.869 -76.506  -0.665
  550    HA   HIS  68           HA       HIS  68  45.406 -77.275  -2.118
  551   1HB   HIS  68           HB2      HIS  68  46.801 -74.602  -1.808
  552   2HB   HIS  68           HB1      HIS  68  45.465 -74.883  -2.919
  553    HD1  HIS  68           HD1      HIS  68  46.302 -74.626   0.729
  554    HD2  HIS  68           HD2      HIS  68  42.919 -75.198  -1.639
  555    HE1  HIS  68           HE1      HIS  68  44.308 -74.369   2.262
  556    H    LEU  69           HN       LEU  69  45.635 -77.857  -4.210
  557    HA   LEU  69           HA       LEU  69  48.329 -77.660  -5.428
  558   1HB   LEU  69           HB2      LEU  69  47.578 -79.951  -5.221
  559   2HB   LEU  69           HB1      LEU  69  46.018 -79.562  -5.912
  560    HG   LEU  69           HG       LEU  69  47.061 -79.057  -8.075
  561   1HD1  LEU  69          HD11      LEU  69  49.244 -78.248  -7.439
  562   2HD1  LEU  69          HD12      LEU  69  49.476 -79.713  -8.380
  563   3HD1  LEU  69          HD13      LEU  69  49.620 -79.769  -6.630
  564   1HD2  LEU  69          HD21      LEU  69  47.841 -81.711  -6.858
  565   2HD2  LEU  69          HD22      LEU  69  47.863 -81.370  -8.588
  566   3HD2  LEU  69          HD23      LEU  69  46.339 -81.333  -7.702
  567    H    VAL  70           HN       VAL  70  48.613 -76.558  -7.277
  568    HA   VAL  70           HA       VAL  70  46.298 -75.435  -8.700
  569    HB   VAL  70           HB       VAL  70  48.878 -74.270  -7.771
  570   1HG1  VAL  70          HG11      VAL  70  48.513 -72.346  -9.402
  571   2HG1  VAL  70          HG12      VAL  70  47.360 -73.380 -10.245
  572   3HG1  VAL  70          HG13      VAL  70  49.059 -73.838 -10.163
  573   1HG2  VAL  70          HG21      VAL  70  47.453 -72.317  -7.313
  574   2HG2  VAL  70          HG22      VAL  70  46.896 -73.784  -6.509
  575   3HG2  VAL  70          HG23      VAL  70  46.074 -73.207  -7.960
  576    H    LEU  71           HN       LEU  71  46.321 -75.615 -10.836
  577    HA   LEU  71           HA       LEU  71  48.368 -77.383 -12.028
  578   1HB   LEU  71           HB2      LEU  71  45.600 -76.713 -13.046
  579   2HB   LEU  71           HB1      LEU  71  46.686 -77.953 -13.671
  580    HG   LEU  71           HG       LEU  71  45.490 -77.894 -10.882
  581   1HD1  LEU  71          HD11      LEU  71  44.959 -79.757 -13.217
  582   2HD1  LEU  71          HD12      LEU  71  43.893 -78.441 -12.724
  583   3HD1  LEU  71          HD13      LEU  71  44.172 -79.804 -11.640
  584   1HD2  LEU  71          HD21      LEU  71  46.442 -80.344 -10.996
  585   2HD2  LEU  71          HD22      LEU  71  47.539 -79.020 -10.616
  586   3HD2  LEU  71          HD23      LEU  71  47.498 -79.689 -12.248
  587    H    ARG  72           HN       ARG  72  49.373 -76.917 -13.913
  588    HA   ARG  72           HA       ARG  72  49.089 -74.160 -14.975
  589   1HB   ARG  72           HB2      ARG  72  51.543 -75.879 -14.624
  590   2HB   ARG  72           HB1      ARG  72  51.510 -74.412 -15.606
  591   1HG   ARG  72           HG2      ARG  72  50.781 -73.108 -13.655
  592   2HG   ARG  72           HG1      ARG  72  50.790 -74.571 -12.667
  593   1HD   ARG  72           HD2      ARG  72  52.858 -73.294 -12.357
  594   2HD   ARG  72           HD1      ARG  72  53.183 -74.854 -13.097
  595    HE   ARG  72           HE       ARG  72  52.881 -73.109 -15.210
  596   1HH1  ARG  72          HH21      ARG  72  55.462 -74.559 -14.395
  597   2HH1  ARG  72          HH22      ARG  72  56.557 -73.227 -14.225
  598   1HH2  ARG  72          HH11      ARG  72  54.047 -70.836 -14.119
  599   2HH2  ARG  72          HH12      ARG  72  55.755 -71.118 -14.071
  600    H    LEU  73           HN       LEU  73  48.930 -73.960 -17.186
  601    HA   LEU  73           HA       LEU  73  49.068 -76.452 -18.811
  602   1HB   LEU  73           HB2      LEU  73  47.150 -74.117 -19.080
  603   2HB   LEU  73           HB1      LEU  73  47.248 -75.479 -20.191
  604    HG   LEU  73           HG       LEU  73  46.745 -75.853 -17.227
  605   1HD1  LEU  73          HD11      LEU  73  44.726 -75.507 -19.466
  606   2HD1  LEU  73          HD12      LEU  73  44.962 -74.424 -18.095
  607   3HD1  LEU  73          HD13      LEU  73  44.335 -76.052 -17.835
  608   1HD2  LEU  73          HD21      LEU  73  46.420 -77.574 -19.705
  609   2HD2  LEU  73          HD22      LEU  73  45.623 -77.965 -18.184
  610   3HD2  LEU  73          HD23      LEU  73  47.380 -77.914 -18.266
  611    H    ARG  74           HN       ARG  74  50.419 -76.365 -20.495
  612    HA   ARG  74           HA       ARG  74  51.889 -73.938 -21.023
  613   1HB   ARG  74           HB2      ARG  74  53.185 -75.295 -22.572
  614   2HB   ARG  74           HB1      ARG  74  52.976 -76.166 -21.053
  615   1HG   ARG  74           HG2      ARG  74  51.027 -77.369 -22.074
  616   2HG   ARG  74           HG1      ARG  74  51.400 -76.584 -23.608
  617   1HD   ARG  74           HD2      ARG  74  53.300 -78.357 -22.051
  618   2HD   ARG  74           HD1      ARG  74  52.394 -78.848 -23.479
  619    HE   ARG  74           HE       ARG  74  53.887 -76.520 -24.079
  620   1HH1  ARG  74          HH21      ARG  74  55.790 -78.383 -22.475
  621   2HH1  ARG  74          HH22      ARG  74  56.583 -79.213 -23.772
  622   1HH2  ARG  74          HH11      ARG  74  54.256 -78.253 -26.160
  623   2HH2  ARG  74          HH12      ARG  74  55.715 -79.138 -25.860
  624    H    GLY  75           HN       GLY  75  49.239 -75.658 -22.434
  625   1HA   GLY  75           HA2      GLY  75  47.686 -74.901 -23.991
  626   2HA   GLY  75           HA1      GLY  75  48.649 -73.441 -24.193
  627    H    GLY  76           HN       GLY  76  48.176 -73.749 -26.496
  628   1HA   GLY  76           HA2      GLY  76  48.971 -75.944 -28.031
  629   2HA   GLY  76           HA1      GLY  76  48.862 -74.289 -28.625
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  52.860 -89.666   7.920
    2   2H    MET   1           HT2      MET   1  52.730 -90.397   9.449
    3   3H    MET   1           HT3      MET   1  53.735 -89.044   9.233
    4    HA   MET   1           HA       MET   1  51.106 -89.049  10.055
    5   1HB   MET   1           HB2      MET   1  51.415 -86.577   9.954
    6   2HB   MET   1           HB1      MET   1  52.789 -87.397  10.689
    7   1HG   MET   1           HG2      MET   1  53.894 -87.379   8.412
    8   2HG   MET   1           HG1      MET   1  52.587 -86.326   7.868
    9   1HE   MET   1           HE1      MET   1  54.122 -84.634   7.112
   10   2HE   MET   1           HE2      MET   1  54.570 -83.272   8.137
   11   3HE   MET   1           HE3      MET   1  52.874 -83.713   7.963
   12    H    GLN   2           HN       GLN   2  49.237 -88.056   9.179
   13    HA   GLN   2           HA       GLN   2  48.999 -88.381   6.264
   14   1HB   GLN   2           HB2      GLN   2  46.963 -88.166   8.486
   15   2HB   GLN   2           HB1      GLN   2  46.529 -88.187   6.777
   16   1HG   GLN   2           HG2      GLN   2  47.512 -90.368   6.482
   17   2HG   GLN   2           HG1      GLN   2  48.195 -90.337   8.108
   18   1HE2  GLN   2          HE21      GLN   2  46.269 -92.333   7.040
   19   2HE2  GLN   2          HE22      GLN   2  44.889 -92.224   8.023
   20    H    ILE   3           HN       ILE   3  48.415 -86.760   4.917
   21    HA   ILE   3           HA       ILE   3  47.855 -84.086   6.021
   22    HB   ILE   3           HB       ILE   3  49.251 -83.037   4.367
   23   1HG1  ILE   3          HG12      ILE   3  50.281 -85.765   3.540
   24   2HG1  ILE   3          HG11      ILE   3  49.003 -84.945   2.643
   25   1HG2  ILE   3          HG21      ILE   3  50.302 -83.628   6.490
   26   2HG2  ILE   3          HG22      ILE   3  51.473 -83.804   5.182
   27   3HG2  ILE   3          HG23      ILE   3  50.703 -85.232   5.875
   28   1HD1  ILE   3          HD11      ILE   3  50.486 -82.966   2.382
   29   2HD1  ILE   3          HD12      ILE   3  51.161 -84.414   1.633
   30   3HD1  ILE   3          HD13      ILE   3  51.776 -83.856   3.190
   31    H    PHE   4           HN       PHE   4  46.888 -82.658   4.270
   32    HA   PHE   4           HA       PHE   4  45.160 -84.260   2.472
   33   1HB   PHE   4           HB2      PHE   4  44.390 -81.908   4.213
   34   2HB   PHE   4           HB1      PHE   4  43.348 -82.632   2.997
   35    HD1  PHE   4           HD1      PHE   4  45.408 -83.545   5.994
   36    HD2  PHE   4           HD2      PHE   4  41.982 -84.463   3.569
   37    HE1  PHE   4           HE1      PHE   4  44.746 -85.314   7.594
   38    HE2  PHE   4           HE2      PHE   4  41.316 -86.226   5.178
   39    HZ   PHE   4           HZ       PHE   4  42.699 -86.652   7.192
   40    H    VAL   5           HN       VAL   5  44.883 -83.480   0.428
   41    HA   VAL   5           HA       VAL   5  46.086 -80.838  -0.212
   42    HB   VAL   5           HB       VAL   5  45.998 -83.275  -2.011
   43   1HG1  VAL   5          HG11      VAL   5  45.878 -81.163  -3.247
   44   2HG1  VAL   5          HG12      VAL   5  47.495 -81.845  -3.424
   45   3HG1  VAL   5          HG13      VAL   5  47.220 -80.508  -2.307
   46   1HG2  VAL   5          HG21      VAL   5  48.442 -81.953  -0.796
   47   2HG2  VAL   5          HG22      VAL   5  48.338 -83.519  -1.605
   48   3HG2  VAL   5          HG23      VAL   5  47.625 -83.304  -0.007
   49    H    LYS   6           HN       LYS   6  44.657 -79.409  -1.017
   50    HA   LYS   6           HA       LYS   6  42.045 -80.406  -1.970
   51   1HB   LYS   6           HB2      LYS   6  42.976 -77.832  -0.748
   52   2HB   LYS   6           HB1      LYS   6  41.617 -77.770  -1.870
   53   1HG   LYS   6           HG2      LYS   6  40.557 -79.633  -0.449
   54   2HG   LYS   6           HG1      LYS   6  41.809 -79.308   0.748
   55   1HD   LYS   6           HD2      LYS   6  39.653 -77.443  -0.255
   56   2HD   LYS   6           HD1      LYS   6  39.916 -78.013   1.392
   57   1HE   LYS   6           HE2      LYS   6  42.213 -76.834   1.223
   58   2HE   LYS   6           HE1      LYS   6  41.528 -76.009  -0.179
   59   1HZ   LYS   6           HZ1      LYS   6  40.028 -74.890   1.091
   60   2HZ   LYS   6           HZ2      LYS   6  41.285 -75.032   2.225
   61   3HZ   LYS   6           HZ3      LYS   6  39.956 -76.089   2.289
   62    H    THR   7           HN       THR   7  41.308 -80.003  -4.006
   63    HA   THR   7           HA       THR   7  43.275 -78.901  -5.910
   64    HB   THR   7           HB       THR   7  42.137 -80.111  -7.630
   65    HG1  THR   7           HG1      THR   7  40.053 -80.152  -7.330
   66   1HG2  THR   7          HG21      THR   7  42.112 -82.015  -5.304
   67   2HG2  THR   7          HG22      THR   7  43.615 -81.369  -5.963
   68   3HG2  THR   7          HG23      THR   7  42.546 -82.331  -6.984
   69    H    LEU   8           HN       LEU   8  42.436 -77.728  -7.728
   70    HA   LEU   8           HA       LEU   8  41.001 -75.421  -7.008
   71   1HB   LEU   8           HB2      LEU   8  41.710 -76.721  -9.631
   72   2HB   LEU   8           HB1      LEU   8  40.796 -75.222  -9.586
   73    HG   LEU   8           HG       LEU   8  42.658 -73.996  -9.245
   74   1HD1  LEU   8          HD11      LEU   8  43.465 -75.953  -7.097
   75   2HD1  LEU   8          HD12      LEU   8  42.902 -74.294  -6.901
   76   3HD1  LEU   8          HD13      LEU   8  44.485 -74.609  -7.579
   77   1HD2  LEU   8          HD21      LEU   8  44.328 -76.484  -9.496
   78   2HD2  LEU   8          HD22      LEU   8  44.706 -74.854 -10.054
   79   3HD2  LEU   8          HD23      LEU   8  43.453 -75.792 -10.862
   80    H    THR   9           HN       THR   9  39.843 -78.549  -7.951
   81    HA   THR   9           HA       THR   9  37.219 -77.447  -8.679
   82    HB   THR   9           HB       THR   9  36.682 -79.661  -9.502
   83    HG1  THR   9           HG1      THR   9  39.240 -80.524  -8.713
   84   1HG2  THR   9          HG21      THR   9  37.981 -78.294 -11.030
   85   2HG2  THR   9          HG22      THR   9  38.583 -79.949 -11.138
   86   3HG2  THR   9          HG23      THR   9  39.484 -78.740 -10.221
   87    H    GLY  10           HN       GLY  10  38.587 -77.998  -5.873
   88   1HA   GLY  10           HA2      GLY  10  37.524 -77.908  -3.808
   89   2HA   GLY  10           HA1      GLY  10  36.012 -78.349  -4.588
   90    H    LYS  11           HN       LYS  11  38.641 -80.403  -5.360
   91    HA   LYS  11           HA       LYS  11  37.412 -82.545  -3.789
   92   1HB   LYS  11           HB2      LYS  11  38.112 -82.880  -6.193
   93   2HB   LYS  11           HB1      LYS  11  39.779 -82.744  -5.657
   94   1HG   LYS  11           HG2      LYS  11  39.454 -84.635  -4.105
   95   2HG   LYS  11           HG1      LYS  11  37.778 -84.781  -4.634
   96   1HD   LYS  11           HD2      LYS  11  38.540 -85.230  -6.938
   97   2HD   LYS  11           HD1      LYS  11  40.218 -85.088  -6.410
   98   1HE   LYS  11           HE2      LYS  11  39.903 -86.981  -4.864
   99   2HE   LYS  11           HE1      LYS  11  38.219 -87.119  -5.369
  100   1HZ   LYS  11           HZ1      LYS  11  40.192 -88.494  -6.485
  101   2HZ   LYS  11           HZ2      LYS  11  40.198 -87.128  -7.496
  102   3HZ   LYS  11           HZ3      LYS  11  38.783 -88.052  -7.321
  103    H    THR  12           HN       THR  12  38.492 -83.638  -2.086
  104    HA   THR  12           HA       THR  12  41.111 -82.478  -1.281
  105    HB   THR  12           HB       THR  12  38.962 -83.635   0.530
  106    HG1  THR  12           HG1      THR  12  38.713 -81.456  -0.462
  107   1HG2  THR  12          HG21      THR  12  41.694 -82.417   1.046
  108   2HG2  THR  12          HG22      THR  12  41.187 -84.068   1.402
  109   3HG2  THR  12          HG23      THR  12  40.500 -82.720   2.309
  110    H    ILE  13           HN       ILE  13  42.767 -83.867  -1.254
  111    HA   ILE  13           HA       ILE  13  42.175 -86.779  -1.336
  112    HB   ILE  13           HB       ILE  13  44.792 -85.522  -2.197
  113   1HG1  ILE  13          HG12      ILE  13  42.284 -85.964  -3.843
  114   2HG1  ILE  13          HG11      ILE  13  43.101 -84.431  -3.544
  115   1HG2  ILE  13          HG21      ILE  13  44.483 -88.027  -1.743
  116   2HG2  ILE  13          HG22      ILE  13  45.124 -87.594  -3.328
  117   3HG2  ILE  13          HG23      ILE  13  43.428 -88.046  -3.156
  118   1HD1  ILE  13          HD11      ILE  13  43.812 -85.086  -5.709
  119   2HD1  ILE  13          HD12      ILE  13  44.066 -86.758  -5.207
  120   3HD1  ILE  13          HD13      ILE  13  45.159 -85.492  -4.646
  121    H    THR  14           HN       THR  14  43.103 -88.110   0.155
  122    HA   THR  14           HA       THR  14  44.659 -86.819   2.301
  123    HB   THR  14           HB       THR  14  43.201 -89.480   2.263
  124    HG1  THR  14           HG1      THR  14  41.814 -88.337   3.709
  125   1HG2  THR  14          HG21      THR  14  45.076 -89.572   3.782
  126   2HG2  THR  14          HG22      THR  14  43.615 -89.343   4.743
  127   3HG2  THR  14          HG23      THR  14  44.688 -87.978   4.431
  128    H    LEU  15           HN       LEU  15  46.765 -87.344   2.561
  129    HA   LEU  15           HA       LEU  15  47.828 -89.677   1.056
  130   1HB   LEU  15           HB2      LEU  15  49.131 -86.971   1.441
  131   2HB   LEU  15           HB1      LEU  15  49.844 -88.351   0.608
  132    HG   LEU  15           HG       LEU  15  47.248 -87.011  -0.213
  133   1HD1  LEU  15          HD11      LEU  15  48.504 -85.935  -1.970
  134   2HD1  LEU  15          HD12      LEU  15  49.971 -86.808  -1.528
  135   3HD1  LEU  15          HD13      LEU  15  49.315 -85.580  -0.445
  136   1HD2  LEU  15          HD21      LEU  15  48.904 -89.288  -1.308
  137   2HD2  LEU  15          HD22      LEU  15  47.939 -88.301  -2.405
  138   3HD2  LEU  15          HD23      LEU  15  47.155 -89.186  -1.101
  139    H    GLU  16           HN       GLU  16  49.552 -90.782   2.014
  140    HA   GLU  16           HA       GLU  16  49.969 -90.208   4.887
  141   1HB   GLU  16           HB2      GLU  16  49.195 -92.519   4.374
  142   2HB   GLU  16           HB1      GLU  16  50.570 -92.736   3.293
  143   1HG   GLU  16           HG2      GLU  16  51.133 -93.759   5.402
  144   2HG   GLU  16           HG1      GLU  16  52.086 -92.286   5.267
  145    H    VAL  17           HN       VAL  17  51.821 -89.211   5.373
  146    HA   VAL  17           HA       VAL  17  54.179 -89.586   3.634
  147    HB   VAL  17           HB       VAL  17  54.598 -87.154   3.689
  148   1HG1  VAL  17          HG11      VAL  17  52.945 -86.526   2.033
  149   2HG1  VAL  17          HG12      VAL  17  51.842 -87.780   2.598
  150   3HG1  VAL  17          HG13      VAL  17  53.346 -88.227   1.792
  151   1HG2  VAL  17          HG21      VAL  17  51.901 -87.141   5.067
  152   2HG2  VAL  17          HG22      VAL  17  52.635 -85.700   4.364
  153   3HG2  VAL  17          HG23      VAL  17  53.431 -86.533   5.699
  154    H    GLU  18           HN       GLU  18  56.115 -88.614   4.587
  155    HA   GLU  18           HA       GLU  18  56.111 -88.763   7.542
  156   1HB   GLU  18           HB2      GLU  18  58.283 -89.608   5.588
  157   2HB   GLU  18           HB1      GLU  18  58.480 -89.539   7.333
  158   1HG   GLU  18           HG2      GLU  18  57.909 -91.821   6.777
  159   2HG   GLU  18           HG1      GLU  18  56.447 -91.083   7.486
  160    HA   PRO  19           HA       PRO  19  57.388 -84.540   7.287
  161   1HB   PRO  19           HB2      PRO  19  59.507 -84.968   9.340
  162   2HB   PRO  19           HB1      PRO  19  58.145 -83.825   9.335
  163   1HG   PRO  19           HG2      PRO  19  58.115 -86.033  10.878
  164   2HG   PRO  19           HG1      PRO  19  56.651 -85.389  10.119
  165   1HD   PRO  19           HD2      PRO  19  58.286 -87.783   9.283
  166   2HD   PRO  19           HD1      PRO  19  56.521 -87.527   9.254
  167    H    SER  20           HN       SER  20  59.789 -87.058   7.043
  168    HA   SER  20           HA       SER  20  61.830 -85.310   5.941
  169   1HB   SER  20           HB2      SER  20  63.042 -87.498   5.578
  170   2HB   SER  20           HB1      SER  20  62.650 -87.109   7.248
  171    HG   SER  20           HG       SER  20  60.606 -88.411   6.076
  172    H    ASP  21           HN       ASP  21  59.024 -86.520   4.620
  173    HA   ASP  21           HA       ASP  21  60.033 -87.468   2.106
  174   1HB   ASP  21           HB2      ASP  21  57.328 -86.550   3.083
  175   2HB   ASP  21           HB1      ASP  21  57.607 -86.932   1.385
  176    H    THR  22           HN       THR  22  60.255 -86.372   0.230
  177    HA   THR  22           HA       THR  22  60.678 -83.506   0.409
  178    HB   THR  22           HB       THR  22  61.588 -83.691  -1.825
  179    HG1  THR  22           HG1      THR  22  61.718 -85.890  -2.674
  180   1HG2  THR  22          HG21      THR  22  63.109 -84.200   0.008
  181   2HG2  THR  22          HG22      THR  22  63.460 -85.253  -1.362
  182   3HG2  THR  22          HG23      THR  22  62.567 -85.878   0.025
  183    H    ILE  23           HN       ILE  23  59.781 -82.035  -1.119
  184    HA   ILE  23           HA       ILE  23  56.972 -82.246  -1.473
  185    HB   ILE  23           HB       ILE  23  59.044 -80.465  -2.742
  186   1HG1  ILE  23          HG12      ILE  23  58.911 -80.228  -0.338
  187   2HG1  ILE  23          HG11      ILE  23  58.241 -78.798  -1.098
  188   1HG2  ILE  23          HG21      ILE  23  56.035 -80.317  -2.836
  189   2HG2  ILE  23          HG22      ILE  23  57.148 -80.430  -4.199
  190   3HG2  ILE  23          HG23      ILE  23  57.086 -78.957  -3.231
  191   1HD1  ILE  23          HD11      ILE  23  56.842 -80.964   0.405
  192   2HD1  ILE  23          HD12      ILE  23  55.953 -80.129  -0.863
  193   3HD1  ILE  23          HD13      ILE  23  56.615 -79.223   0.496
  194    H    GLU  24           HN       GLU  24  59.677 -82.854  -3.680
  195    HA   GLU  24           HA       GLU  24  58.144 -83.343  -6.022
  196   1HB   GLU  24           HB2      GLU  24  60.613 -83.064  -6.022
  197   2HB   GLU  24           HB1      GLU  24  60.784 -84.590  -5.163
  198   1HG   GLU  24           HG2      GLU  24  59.766 -85.799  -7.021
  199   2HG   GLU  24           HG1      GLU  24  59.452 -84.285  -7.868
  200    H    ASN  25           HN       ASN  25  59.085 -85.365  -3.254
  201    HA   ASN  25           HA       ASN  25  58.173 -87.833  -4.349
  202   1HB   ASN  25           HB2      ASN  25  59.736 -87.608  -2.393
  203   2HB   ASN  25           HB1      ASN  25  58.361 -87.082  -1.423
  204   1HD2  ASN  25          HD21      ASN  25  59.967 -89.582  -1.096
  205   2HD2  ASN  25          HD22      ASN  25  58.860 -90.860  -1.249
  206    H    VAL  26           HN       VAL  26  56.645 -85.393  -2.245
  207    HA   VAL  26           HA       VAL  26  54.193 -86.802  -1.911
  208    HB   VAL  26           HB       VAL  26  54.785 -83.821  -1.896
  209   1HG1  VAL  26          HG11      VAL  26  52.557 -83.736  -0.642
  210   2HG1  VAL  26          HG12      VAL  26  52.263 -85.361  -1.261
  211   3HG1  VAL  26          HG13      VAL  26  52.462 -84.013  -2.381
  212   1HG2  VAL  26          HG21      VAL  26  54.393 -84.200   0.608
  213   2HG2  VAL  26          HG22      VAL  26  55.889 -84.855  -0.055
  214   3HG2  VAL  26          HG23      VAL  26  54.522 -85.924   0.261
  215    H    LYS  27           HN       LYS  27  55.339 -84.574  -4.429
  216    HA   LYS  27           HA       LYS  27  52.946 -84.429  -5.898
  217   1HB   LYS  27           HB2      LYS  27  55.855 -84.261  -6.709
  218   2HB   LYS  27           HB1      LYS  27  54.549 -84.105  -7.868
  219   1HG   LYS  27           HG2      LYS  27  53.709 -82.266  -6.024
  220   2HG   LYS  27           HG1      LYS  27  55.456 -82.153  -5.759
  221   1HD   LYS  27           HD2      LYS  27  54.556 -82.089  -8.599
  222   2HD   LYS  27           HD1      LYS  27  54.209 -80.690  -7.605
  223   1HE   LYS  27           HE2      LYS  27  56.375 -80.428  -8.711
  224   2HE   LYS  27           HE1      LYS  27  56.592 -80.553  -6.968
  225   1HZ   LYS  27           HZ1      LYS  27  56.920 -83.017  -7.399
  226   2HZ   LYS  27           HZ2      LYS  27  58.175 -81.980  -7.878
  227   3HZ   LYS  27           HZ3      LYS  27  57.099 -82.606  -9.034
  228    H    ALA  28           HN       ALA  28  55.616 -86.771  -5.910
  229    HA   ALA  28           HA       ALA  28  54.765 -88.256  -8.149
  230   1HB   ALA  28           HB1      ALA  28  56.185 -90.082  -7.206
  231   2HB   ALA  28           HB2      ALA  28  56.413 -89.100  -5.759
  232   3HB   ALA  28           HB3      ALA  28  57.015 -88.529  -7.315
  233    H    LYS  29           HN       LYS  29  53.945 -88.461  -4.727
  234    HA   LYS  29           HA       LYS  29  52.452 -90.879  -4.911
  235   1HB   LYS  29           HB2      LYS  29  52.337 -88.579  -2.947
  236   2HB   LYS  29           HB1      LYS  29  51.371 -90.045  -2.785
  237   1HG   LYS  29           HG2      LYS  29  53.434 -91.406  -2.773
  238   2HG   LYS  29           HG1      LYS  29  54.398 -89.937  -2.930
  239   1HD   LYS  29           HD2      LYS  29  53.480 -89.100  -0.793
  240   2HD   LYS  29           HD1      LYS  29  52.525 -90.571  -0.633
  241   1HE   LYS  29           HE2      LYS  29  55.119 -91.543  -1.055
  242   2HE   LYS  29           HE1      LYS  29  55.359 -90.144  -0.007
  243   1HZ   LYS  29           HZ1      LYS  29  53.411 -91.123   1.311
  244   2HZ   LYS  29           HZ2      LYS  29  54.936 -91.859   1.459
  245   3HZ   LYS  29           HZ3      LYS  29  53.742 -92.561   0.475
  246    H    ILE  30           HN       ILE  30  51.649 -87.452  -5.316
  247    HA   ILE  30           HA       ILE  30  48.821 -87.783  -5.648
  248    HB   ILE  30           HB       ILE  30  50.749 -85.614  -6.495
  249   1HG1  ILE  30          HG12      ILE  30  48.657 -85.876  -4.309
  250   2HG1  ILE  30          HG11      ILE  30  50.409 -85.895  -4.089
  251   1HG2  ILE  30          HG21      ILE  30  47.716 -85.748  -6.729
  252   2HG2  ILE  30          HG22      ILE  30  48.861 -85.571  -8.058
  253   3HG2  ILE  30          HG23      ILE  30  48.647 -84.263  -6.906
  254   1HD1  ILE  30          HD11      ILE  30  49.846 -83.684  -3.555
  255   2HD1  ILE  30          HD12      ILE  30  48.609 -83.596  -4.809
  256   3HD1  ILE  30          HD13      ILE  30  50.318 -83.553  -5.250
  257    H    GLN  31           HN       GLN  31  51.570 -87.831  -7.921
  258    HA   GLN  31           HA       GLN  31  50.082 -87.938 -10.306
  259   1HB   GLN  31           HB2      GLN  31  52.520 -87.598 -10.270
  260   2HB   GLN  31           HB1      GLN  31  52.747 -89.214  -9.603
  261   1HG   GLN  31           HG2      GLN  31  51.820 -90.213 -11.643
  262   2HG   GLN  31           HG1      GLN  31  51.486 -88.612 -12.299
  263   1HE2  GLN  31          HE21      GLN  31  52.953 -88.954 -14.122
  264   2HE2  GLN  31          HE22      GLN  31  54.636 -88.967 -13.902
  265    H    ASP  32           HN       ASP  32  51.257 -90.435  -8.134
  266    HA   ASP  32           HA       ASP  32  50.440 -92.690  -9.593
  267   1HB   ASP  32           HB2      ASP  32  50.704 -92.228  -6.625
  268   2HB   ASP  32           HB1      ASP  32  50.395 -93.818  -7.341
  269    H    LYS  33           HN       LYS  33  48.707 -90.726  -7.205
  270    HA   LYS  33           HA       LYS  33  46.352 -92.389  -7.268
  271   1HB   LYS  33           HB2      LYS  33  46.730 -89.636  -6.120
  272   2HB   LYS  33           HB1      LYS  33  45.407 -90.731  -5.745
  273   1HG   LYS  33           HG2      LYS  33  47.660 -92.296  -5.186
  274   2HG   LYS  33           HG1      LYS  33  48.136 -90.693  -4.634
  275   1HD   LYS  33           HD2      LYS  33  45.974 -90.556  -3.362
  276   2HD   LYS  33           HD1      LYS  33  45.672 -92.235  -3.800
  277   1HE   LYS  33           HE2      LYS  33  48.330 -91.677  -2.550
  278   2HE   LYS  33           HE1      LYS  33  46.921 -91.528  -1.502
  279   1HZ   LYS  33           HZ1      LYS  33  46.747 -93.716  -1.417
  280   2HZ   LYS  33           HZ2      LYS  33  48.183 -93.855  -2.315
  281   3HZ   LYS  33           HZ3      LYS  33  46.680 -93.834  -3.107
  282    H    GLU  34           HN       GLU  34  47.143 -89.180  -8.651
  283    HA   GLU  34           HA       GLU  34  44.416 -89.115  -9.819
  284   1HB   GLU  34           HB2      GLU  34  46.369 -86.936  -9.115
  285   2HB   GLU  34           HB1      GLU  34  44.854 -86.659  -9.980
  286   1HG   GLU  34           HG2      GLU  34  45.060 -88.132  -7.360
  287   2HG   GLU  34           HG1      GLU  34  44.738 -86.383  -7.423
  288    H    GLY  35           HN       GLY  35  47.689 -89.389 -10.856
  289   1HA   GLY  35           HA2      GLY  35  48.414 -89.809 -13.012
  290   2HA   GLY  35           HA1      GLY  35  46.800 -89.447 -13.615
  291    H    ILE  36           HN       ILE  36  47.947 -87.008 -11.596
  292    HA   ILE  36           HA       ILE  36  48.223 -85.164 -13.825
  293    HB   ILE  36           HB       ILE  36  48.619 -84.645 -10.879
  294   1HG1  ILE  36          HG12      ILE  36  46.047 -84.075 -12.366
  295   2HG1  ILE  36          HG11      ILE  36  46.317 -85.678 -11.693
  296   1HG2  ILE  36          HG21      ILE  36  47.851 -82.837 -13.195
  297   2HG2  ILE  36          HG22      ILE  36  49.450 -82.918 -12.463
  298   3HG2  ILE  36          HG23      ILE  36  48.078 -82.335 -11.521
  299   1HD1  ILE  36          HD11      ILE  36  45.131 -84.304 -10.064
  300   2HD1  ILE  36          HD12      ILE  36  46.386 -83.069 -10.155
  301   3HD1  ILE  36          HD13      ILE  36  46.754 -84.651  -9.470
  302    HA   PRO  37           HA       PRO  37  52.670 -86.054 -13.778
  303   1HB   PRO  37           HB2      PRO  37  52.939 -83.748 -15.644
  304   2HB   PRO  37           HB1      PRO  37  53.473 -85.426 -15.859
  305   1HG   PRO  37           HG2      PRO  37  51.344 -84.434 -17.163
  306   2HG   PRO  37           HG1      PRO  37  51.424 -86.121 -16.632
  307   1HD   PRO  37           HD2      PRO  37  49.878 -83.847 -15.413
  308   2HD   PRO  37           HD1      PRO  37  49.455 -85.571 -15.573
  309    HA   PRO  38           HA       PRO  38  53.945 -83.183 -10.569
  310   1HB   PRO  38           HB2      PRO  38  56.733 -83.817 -11.520
  311   2HB   PRO  38           HB1      PRO  38  56.071 -83.884  -9.874
  312   1HG   PRO  38           HG2      PRO  38  56.504 -86.103 -11.269
  313   2HG   PRO  38           HG1      PRO  38  55.088 -85.939 -10.211
  314   1HD   PRO  38           HD2      PRO  38  55.221 -85.832 -13.204
  315   2HD   PRO  38           HD1      PRO  38  53.945 -86.453 -12.130
  316    H    ASP  39           HN       ASP  39  55.373 -82.783 -13.813
  317    HA   ASP  39           HA       ASP  39  56.467 -80.224 -13.201
  318   1HB   ASP  39           HB2      ASP  39  55.888 -81.576 -15.834
  319   2HB   ASP  39           HB1      ASP  39  56.608 -79.951 -15.684
  320    H    GLN  40           HN       GLN  40  53.276 -81.231 -13.843
  321    HA   GLN  40           HA       GLN  40  52.457 -78.526 -14.698
  322   1HB   GLN  40           HB2      GLN  40  50.927 -81.140 -14.658
  323   2HB   GLN  40           HB1      GLN  40  50.248 -79.580 -15.120
  324   1HG   GLN  40           HG2      GLN  40  52.703 -80.795 -16.411
  325   2HG   GLN  40           HG1      GLN  40  51.071 -81.013 -17.038
  326   1HE2  GLN  40          HE21      GLN  40  53.768 -78.825 -16.894
  327   2HE2  GLN  40          HE22      GLN  40  53.041 -77.554 -17.752
  328    H    GLN  41           HN       GLN  41  52.995 -80.073 -11.891
  329    HA   GLN  41           HA       GLN  41  50.602 -79.023 -10.499
  330   1HB   GLN  41           HB2      GLN  41  52.706 -81.027  -9.683
  331   2HB   GLN  41           HB1      GLN  41  51.403 -80.476  -8.633
  332   1HG   GLN  41           HG2      GLN  41  49.783 -81.206 -10.436
  333   2HG   GLN  41           HG1      GLN  41  51.157 -81.963 -11.249
  334   1HE2  GLN  41          HE21      GLN  41  50.464 -81.794  -7.739
  335   2HE2  GLN  41          HE22      GLN  41  50.392 -83.473  -7.519
  336    H    ARG  42           HN       ARG  42  50.683 -77.540  -8.954
  337    HA   ARG  42           HA       ARG  42  53.300 -76.585  -7.965
  338   1HB   ARG  42           HB2      ARG  42  50.914 -74.926  -8.763
  339   2HB   ARG  42           HB1      ARG  42  52.236 -74.303  -7.785
  340   1HG   ARG  42           HG2      ARG  42  53.814 -74.869  -9.600
  341   2HG   ARG  42           HG1      ARG  42  52.469 -75.473 -10.568
  342   1HD   ARG  42           HD2      ARG  42  51.414 -73.216 -10.442
  343   2HD   ARG  42           HD1      ARG  42  52.840 -72.629  -9.590
  344    HE   ARG  42           HE       ARG  42  52.624 -73.159 -12.420
  345   1HH1  ARG  42          HH11      ARG  42  54.263 -70.943 -11.168
  346   2HH1  ARG  42          HH12      ARG  42  55.882 -71.490 -11.452
  347   1HH2  ARG  42          HH21      ARG  42  54.939 -74.752 -12.158
  348   2HH2  ARG  42          HH22      ARG  42  56.265 -73.647 -12.012
  349    H    LEU  43           HN       LEU  43  53.426 -76.861  -5.818
  350    HA   LEU  43           HA       LEU  43  50.929 -77.232  -4.280
  351   1HB   LEU  43           HB2      LEU  43  53.792 -78.091  -3.769
  352   2HB   LEU  43           HB1      LEU  43  52.489 -78.218  -2.592
  353    HG   LEU  43           HG       LEU  43  52.383 -79.486  -5.350
  354   1HD1  LEU  43          HD11      LEU  43  52.769 -81.624  -3.974
  355   2HD1  LEU  43          HD12      LEU  43  53.320 -80.562  -2.679
  356   3HD1  LEU  43          HD13      LEU  43  54.172 -80.587  -4.223
  357   1HD2  LEU  43          HD21      LEU  43  50.658 -80.936  -3.996
  358   2HD2  LEU  43          HD22      LEU  43  50.160 -79.343  -4.544
  359   3HD2  LEU  43          HD23      LEU  43  50.648 -79.581  -2.870
  360    H    ILE  44           HN       ILE  44  50.294 -75.827  -2.840
  361    HA   ILE  44           HA       ILE  44  52.183 -73.734  -1.912
  362    HB   ILE  44           HB       ILE  44  49.273 -73.357  -2.623
  363   1HG1  ILE  44          HG12      ILE  44  51.846 -73.093  -4.174
  364   2HG1  ILE  44          HG11      ILE  44  50.276 -73.677  -4.711
  365   1HG2  ILE  44          HG21      ILE  44  49.720 -71.005  -2.284
  366   2HG2  ILE  44          HG22      ILE  44  51.444 -71.309  -2.066
  367   3HG2  ILE  44          HG23      ILE  44  50.290 -71.851  -0.849
  368   1HD1  ILE  44          HD11      ILE  44  51.235 -70.853  -4.373
  369   2HD1  ILE  44          HD12      ILE  44  49.508 -71.215  -4.343
  370   3HD1  ILE  44          HD13      ILE  44  50.465 -71.600  -5.774
  371    H    PHE  45           HN       PHE  45  52.156 -73.237   0.178
  372    HA   PHE  45           HA       PHE  45  49.983 -74.194   1.913
  373   1HB   PHE  45           HB2      PHE  45  51.642 -75.939   2.110
  374   2HB   PHE  45           HB1      PHE  45  52.921 -74.758   2.360
  375    HD1  PHE  45           HD1      PHE  45  53.147 -73.555   4.467
  376    HD2  PHE  45           HD2      PHE  45  49.973 -76.381   3.859
  377    HE1  PHE  45           HE1      PHE  45  52.672 -73.544   6.901
  378    HE2  PHE  45           HE2      PHE  45  49.499 -76.375   6.293
  379    HZ   PHE  45           HZ       PHE  45  50.848 -74.955   7.814
  380    H    ALA  46           HN       ALA  46  49.376 -72.710   3.324
  381    HA   ALA  46           HA       ALA  46  49.221 -70.683   4.356
  382   1HB   ALA  46           HB1      ALA  46  51.271 -70.096   5.698
  383   2HB   ALA  46           HB2      ALA  46  52.082 -71.455   4.921
  384   3HB   ALA  46           HB3      ALA  46  50.664 -71.735   5.934
  385    H    GLY  47           HN       GLY  47  49.582 -70.430   1.600
  386   1HA   GLY  47           HA2      GLY  47  49.756 -68.593   0.191
  387   2HA   GLY  47           HA1      GLY  47  50.456 -67.700   1.525
  388    H    LYS  48           HN       LYS  48  52.339 -70.458   1.250
  389    HA   LYS  48           HA       LYS  48  54.259 -69.025  -0.504
  390   1HB   LYS  48           HB2      LYS  48  54.886 -71.116   1.562
  391   2HB   LYS  48           HB1      LYS  48  56.028 -70.056   0.755
  392   1HG   LYS  48           HG2      LYS  48  55.129 -68.097   1.862
  393   2HG   LYS  48           HG1      LYS  48  53.798 -69.029   2.539
  394   1HD   LYS  48           HD2      LYS  48  55.547 -68.658   4.229
  395   2HD   LYS  48           HD1      LYS  48  55.383 -70.374   3.853
  396   1HE   LYS  48           HE2      LYS  48  57.775 -69.361   3.965
  397   2HE   LYS  48           HE1      LYS  48  57.379 -70.426   2.618
  398   1HZ   LYS  48           HZ1      LYS  48  57.360 -67.456   2.594
  399   2HZ   LYS  48           HZ2      LYS  48  56.844 -68.433   1.303
  400   3HZ   LYS  48           HZ3      LYS  48  58.468 -68.466   1.800
  401    H    GLN  49           HN       GLN  49  55.185 -70.042  -2.217
  402    HA   GLN  49           HA       GLN  49  54.029 -72.545  -3.108
  403   1HB   GLN  49           HB2      GLN  49  54.678 -70.533  -4.537
  404   2HB   GLN  49           HB1      GLN  49  56.351 -71.055  -4.357
  405   1HG   GLN  49           HG2      GLN  49  55.874 -73.200  -5.381
  406   2HG   GLN  49           HG1      GLN  49  54.147 -72.852  -5.417
  407   1HE2  GLN  49          HE21      GLN  49  55.346 -69.916  -6.107
  408   2HE2  GLN  49          HE22      GLN  49  55.488 -70.021  -7.795
  409    H    LEU  50           HN       LEU  50  54.888 -74.536  -2.749
  410    HA   LEU  50           HA       LEU  50  57.366 -74.756  -1.221
  411   1HB   LEU  50           HB2      LEU  50  55.531 -76.970  -2.162
  412   2HB   LEU  50           HB1      LEU  50  56.760 -77.048  -0.911
  413    HG   LEU  50           HG       LEU  50  54.322 -75.259  -0.832
  414   1HD1  LEU  50          HD11      LEU  50  54.866 -77.706   0.864
  415   2HD1  LEU  50          HD12      LEU  50  53.942 -77.783  -0.636
  416   3HD1  LEU  50          HD13      LEU  50  53.356 -76.808   0.712
  417   1HD2  LEU  50          HD21      LEU  50  55.940 -74.206   0.522
  418   2HD2  LEU  50          HD22      LEU  50  56.637 -75.738   1.039
  419   3HD2  LEU  50          HD23      LEU  50  55.085 -75.220   1.680
  420    H    GLU  51           HN       GLU  51  59.286 -75.529  -1.937
  421    HA   GLU  51           HA       GLU  51  59.564 -75.939  -4.820
  422   1HB   GLU  51           HB2      GLU  51  61.583 -75.515  -2.615
  423   2HB   GLU  51           HB1      GLU  51  62.033 -75.858  -4.289
  424   1HG   GLU  51           HG2      GLU  51  60.777 -73.914  -5.061
  425   2HG   GLU  51           HG1      GLU  51  60.302 -73.522  -3.414
  426    H    ASP  52           HN       ASP  52  60.644 -77.658  -5.788
  427    HA   ASP  52           HA       ASP  52  59.967 -80.200  -4.744
  428   1HB   ASP  52           HB2      ASP  52  61.609 -79.343  -7.120
  429   2HB   ASP  52           HB1      ASP  52  61.242 -81.021  -6.754
  430    H    GLY  53           HN       GLY  53  62.854 -78.331  -4.332
  431   1HA   GLY  53           HA2      GLY  53  64.447 -80.711  -3.657
  432   2HA   GLY  53           HA1      GLY  53  65.033 -79.058  -3.769
  433    H    ARG  54           HN       ARG  54  62.214 -78.983  -1.956
  434    HA   ARG  54           HA       ARG  54  63.763 -79.119   0.591
  435   1HB   ARG  54           HB2      ARG  54  61.267 -77.589  -0.112
  436   2HB   ARG  54           HB1      ARG  54  62.028 -77.583   1.472
  437   1HG   ARG  54           HG2      ARG  54  63.188 -76.489  -1.126
  438   2HG   ARG  54           HG1      ARG  54  62.637 -75.581   0.245
  439   1HD   ARG  54           HD2      ARG  54  64.388 -76.798   1.649
  440   2HD   ARG  54           HD1      ARG  54  65.079 -77.356   0.125
  441    HE   ARG  54           HE       ARG  54  64.783 -74.616  -0.139
  442   1HH1  ARG  54          HH21      ARG  54  66.381 -76.817   2.004
  443   2HH1  ARG  54          HH22      ARG  54  67.706 -75.751   2.328
  444   1HH2  ARG  54          HH11      ARG  54  66.533 -73.231   0.256
  445   2HH2  ARG  54          HH12      ARG  54  67.794 -73.723   1.336
  446    H    THR  55           HN       THR  55  62.496 -79.737   2.548
  447    HA   THR  55           HA       THR  55  60.670 -81.990   1.949
  448    HB   THR  55           HB       THR  55  61.222 -82.909   4.101
  449    HG1  THR  55           HG1      THR  55  61.623 -80.566   4.854
  450   1HG2  THR  55          HG21      THR  55  62.820 -83.156   2.097
  451   2HG2  THR  55          HG22      THR  55  63.452 -83.561   3.694
  452   3HG2  THR  55          HG23      THR  55  63.859 -82.013   2.949
  453    H    LEU  56           HN       LEU  56  59.050 -82.495   3.609
  454    HA   LEU  56           HA       LEU  56  57.238 -80.368   4.056
  455   1HB   LEU  56           HB2      LEU  56  57.408 -83.018   5.505
  456   2HB   LEU  56           HB1      LEU  56  56.026 -81.927   5.533
  457    HG   LEU  56           HG       LEU  56  57.150 -83.205   3.026
  458   1HD1  LEU  56          HD11      LEU  56  56.215 -84.877   4.576
  459   2HD1  LEU  56          HD12      LEU  56  55.199 -84.693   3.146
  460   3HD1  LEU  56          HD13      LEU  56  54.718 -83.950   4.671
  461   1HD2  LEU  56          HD21      LEU  56  54.795 -82.535   2.203
  462   2HD2  LEU  56          HD22      LEU  56  55.927 -81.215   2.438
  463   3HD2  LEU  56          HD23      LEU  56  54.694 -81.533   3.647
  464    H    SER  57           HN       SER  57  59.581 -81.894   6.317
  465    HA   SER  57           HA       SER  57  58.742 -80.442   8.549
  466   1HB   SER  57           HB2      SER  57  61.480 -81.571   7.956
  467   2HB   SER  57           HB1      SER  57  60.996 -80.907   9.509
  468    HG   SER  57           HG       SER  57  59.788 -82.616   9.866
  469    H    ASP  58           HN       ASP  58  60.877 -79.503   5.949
  470    HA   ASP  58           HA       ASP  58  62.073 -77.283   7.205
  471   1HB   ASP  58           HB2      ASP  58  61.415 -77.823   4.304
  472   2HB   ASP  58           HB1      ASP  58  62.330 -76.426   4.828
  473    H    TYR  59           HN       TYR  59  58.872 -77.733   5.859
  474    HA   TYR  59           HA       TYR  59  58.298 -74.846   6.107
  475   1HB   TYR  59           HB2      TYR  59  56.756 -77.110   4.813
  476   2HB   TYR  59           HB1      TYR  59  56.119 -75.476   5.005
  477    HD1  TYR  59           HD1      TYR  59  57.318 -73.541   3.928
  478    HD2  TYR  59           HD2      TYR  59  58.348 -77.631   3.137
  479    HE1  TYR  59           HE1      TYR  59  58.540 -72.838   1.886
  480    HE2  TYR  59           HE2      TYR  59  59.551 -76.930   1.106
  481    HH   TYR  59           HH       TYR  59  60.559 -75.045   0.111
  482    H    ASN  60           HN       ASN  60  58.456 -77.081   8.287
  483    HA   ASN  60           HA       ASN  60  57.393 -77.654  10.200
  484   1HB   ASN  60           HB2      ASN  60  57.827 -75.303  10.666
  485   2HB   ASN  60           HB1      ASN  60  56.326 -74.849   9.861
  486   1HD2  ASN  60          HD21      ASN  60  57.609 -76.661  12.681
  487   2HD2  ASN  60          HD22      ASN  60  56.204 -76.504  13.620
  488    H    ILE  61           HN       ILE  61  56.062 -78.614   7.913
  489    HA   ILE  61           HA       ILE  61  53.209 -78.150   8.301
  490    HB   ILE  61           HB       ILE  61  54.767 -80.025   6.487
  491   1HG1  ILE  61          HG12      ILE  61  53.089 -77.579   5.864
  492   2HG1  ILE  61          HG11      ILE  61  54.836 -77.531   6.078
  493   1HG2  ILE  61          HG21      ILE  61  51.791 -79.451   6.542
  494   2HG2  ILE  61          HG22      ILE  61  52.526 -80.967   7.063
  495   3HG2  ILE  61          HG23      ILE  61  52.621 -80.473   5.373
  496   1HD1  ILE  61          HD11      ILE  61  53.517 -79.374   4.077
  497   2HD1  ILE  61          HD12      ILE  61  55.212 -78.899   4.165
  498   3HD1  ILE  61          HD13      ILE  61  53.992 -77.727   3.667
  499    H    GLN  62           HN       GLN  62  52.043 -79.171   9.772
  500    HA   GLN  62           HA       GLN  62  53.165 -81.550  11.109
  501   1HB   GLN  62           HB2      GLN  62  51.246 -79.386  11.994
  502   2HB   GLN  62           HB1      GLN  62  51.549 -80.840  12.947
  503   1HG   GLN  62           HG2      GLN  62  53.927 -80.305  13.075
  504   2HG   GLN  62           HG1      GLN  62  53.696 -78.905  12.028
  505   1HE2  GLN  62          HE21      GLN  62  54.544 -79.169  14.993
  506   2HE2  GLN  62          HE22      GLN  62  53.506 -78.097  15.802
  507    H    LYS  63           HN       LYS  63  51.509 -83.018  12.097
  508    HA   LYS  63           HA       LYS  63  50.085 -84.329  10.130
  509   1HB   LYS  63           HB2      LYS  63  48.825 -85.507  11.872
  510   2HB   LYS  63           HB1      LYS  63  50.548 -85.430  12.250
  511   1HG   LYS  63           HG2      LYS  63  50.066 -83.384  13.645
  512   2HG   LYS  63           HG1      LYS  63  48.347 -83.695  13.401
  513   1HD   LYS  63           HD2      LYS  63  48.738 -86.018  14.337
  514   2HD   LYS  63           HD1      LYS  63  50.361 -85.488  14.781
  515   1HE   LYS  63           HE2      LYS  63  49.279 -83.568  16.036
  516   2HE   LYS  63           HE1      LYS  63  47.727 -84.359  15.760
  517   1HZ   LYS  63           HZ1      LYS  63  50.055 -85.627  17.098
  518   2HZ   LYS  63           HZ2      LYS  63  48.503 -86.296  16.916
  519   3HZ   LYS  63           HZ3      LYS  63  48.735 -84.938  17.911
  520    H    GLU  64           HN       GLU  64  48.054 -84.364   9.367
  521    HA   GLU  64           HA       GLU  64  45.989 -83.616   8.729
  522   1HB   GLU  64           HB2      GLU  64  45.865 -82.357  11.484
  523   2HB   GLU  64           HB1      GLU  64  44.518 -82.496  10.349
  524   1HG   GLU  64           HG2      GLU  64  46.110 -84.890  11.281
  525   2HG   GLU  64           HG1      GLU  64  44.703 -84.350  12.154
  526    H    SER  65           HN       SER  65  48.433 -81.980   8.353
  527    HA   SER  65           HA       SER  65  47.422 -79.258   8.160
  528   1HB   SER  65           HB2      SER  65  49.891 -80.646   7.115
  529   2HB   SER  65           HB1      SER  65  49.519 -78.962   6.759
  530    HG   SER  65           HG       SER  65  49.217 -79.439   9.383
  531    H    THR  66           HN       THR  66  46.808 -78.224   6.236
  532    HA   THR  66           HA       THR  66  45.977 -80.056   4.052
  533    HB   THR  66           HB       THR  66  44.842 -77.356   4.844
  534    HG1  THR  66           HG1      THR  66  44.330 -79.081   6.267
  535   1HG2  THR  66          HG21      THR  66  44.201 -79.332   2.652
  536   2HG2  THR  66          HG22      THR  66  44.534 -77.606   2.503
  537   3HG2  THR  66          HG23      THR  66  43.016 -78.153   3.218
  538    H    LEU  67           HN       LEU  67  46.932 -79.840   2.182
  539    HA   LEU  67           HA       LEU  67  48.561 -77.450   1.572
  540   1HB   LEU  67           HB2      LEU  67  48.720 -80.370   0.883
  541   2HB   LEU  67           HB1      LEU  67  49.289 -79.229  -0.332
  542    HG   LEU  67           HG       LEU  67  50.828 -78.257   1.286
  543   1HD1  LEU  67          HD11      LEU  67  51.150 -79.348   3.500
  544   2HD1  LEU  67          HD12      LEU  67  49.740 -80.358   3.175
  545   3HD1  LEU  67          HD13      LEU  67  49.556 -78.614   3.346
  546   1HD2  LEU  67          HD21      LEU  67  50.915 -81.237   0.888
  547   2HD2  LEU  67          HD22      LEU  67  52.229 -80.383   1.697
  548   3HD2  LEU  67          HD23      LEU  67  51.814 -79.988   0.030
  549    H    HIS  68           HN       HIS  68  48.427 -76.666  -0.632
  550    HA   HIS  68           HA       HIS  68  45.780 -77.133  -1.880
  551   1HB   HIS  68           HB2      HIS  68  47.496 -74.635  -1.780
  552   2HB   HIS  68           HB1      HIS  68  46.049 -74.793  -2.765
  553    HD1  HIS  68           HD1      HIS  68  47.222 -74.450   0.771
  554    HD2  HIS  68           HD2      HIS  68  43.599 -74.783  -1.263
  555    HE1  HIS  68           HE1      HIS  68  45.413 -73.869   2.439
  556    H    LEU  69           HN       LEU  69  45.795 -77.816  -3.950
  557    HA   LEU  69           HA       LEU  69  48.389 -77.938  -5.376
  558   1HB   LEU  69           HB2      LEU  69  47.423 -80.136  -5.021
  559   2HB   LEU  69           HB1      LEU  69  45.870 -79.610  -5.627
  560    HG   LEU  69           HG       LEU  69  46.826 -79.274  -7.875
  561   1HD1  LEU  69          HD11      LEU  69  49.130 -80.251  -8.281
  562   2HD1  LEU  69          HD12      LEU  69  49.368 -80.219  -6.537
  563   3HD1  LEU  69          HD13      LEU  69  49.118 -78.714  -7.422
  564   1HD2  LEU  69          HD21      LEU  69  47.573 -81.999  -6.800
  565   2HD2  LEU  69          HD22      LEU  69  47.051 -81.599  -8.436
  566   3HD2  LEU  69          HD23      LEU  69  45.910 -81.494  -7.095
  567    H    VAL  70           HN       VAL  70  48.631 -76.882  -7.236
  568    HA   VAL  70           HA       VAL  70  46.299 -75.655  -8.549
  569    HB   VAL  70           HB       VAL  70  48.971 -74.617  -7.764
  570   1HG1  VAL  70          HG11      VAL  70  49.151 -74.269 -10.146
  571   2HG1  VAL  70          HG12      VAL  70  48.672 -72.722  -9.450
  572   3HG1  VAL  70          HG13      VAL  70  47.471 -73.742 -10.242
  573   1HG2  VAL  70          HG21      VAL  70  46.860 -74.051  -6.572
  574   2HG2  VAL  70          HG22      VAL  70  46.360 -73.170  -8.018
  575   3HG2  VAL  70          HG23      VAL  70  47.800 -72.667  -7.128
  576    H    LEU  71           HN       LEU  71  46.157 -75.896 -10.648
  577    HA   LEU  71           HA       LEU  71  47.989 -77.796 -11.957
  578   1HB   LEU  71           HB2      LEU  71  45.214 -76.878 -12.742
  579   2HB   LEU  71           HB1      LEU  71  46.164 -78.105 -13.578
  580    HG   LEU  71           HG       LEU  71  45.302 -78.267 -10.674
  581   1HD1  LEU  71          HD11      LEU  71  43.399 -78.430 -12.239
  582   2HD1  LEU  71          HD12      LEU  71  43.721 -79.985 -11.473
  583   3HD1  LEU  71          HD13      LEU  71  44.242 -79.696 -13.133
  584   1HD2  LEU  71          HD21      LEU  71  45.941 -80.777 -11.235
  585   2HD2  LEU  71          HD22      LEU  71  47.204 -79.631 -10.803
  586   3HD2  LEU  71          HD23      LEU  71  46.928 -80.039 -12.496
  587    H    ARG  72           HN       ARG  72  49.281 -77.236 -13.537
  588    HA   ARG  72           HA       ARG  72  49.100 -74.512 -14.688
  589   1HB   ARG  72           HB2      ARG  72  51.191 -75.024 -13.510
  590   2HB   ARG  72           HB1      ARG  72  51.420 -76.451 -14.517
  591   1HG   ARG  72           HG2      ARG  72  51.625 -75.085 -16.511
  592   2HG   ARG  72           HG1      ARG  72  51.213 -73.630 -15.600
  593   1HD   ARG  72           HD2      ARG  72  53.627 -73.730 -15.873
  594   2HD   ARG  72           HD1      ARG  72  53.227 -73.999 -14.180
  595    HE   ARG  72           HE       ARG  72  53.385 -76.490 -15.523
  596   1HH1  ARG  72          HH11      ARG  72  55.861 -75.309 -16.649
  597   2HH1  ARG  72          HH12      ARG  72  57.045 -75.637 -15.428
  598   1HH2  ARG  72          HH21      ARG  72  54.705 -76.295 -12.957
  599   2HH2  ARG  72          HH22      ARG  72  56.391 -76.196 -13.340
  600    H    LEU  73           HN       LEU  73  48.858 -74.261 -16.859
  601    HA   LEU  73           HA       LEU  73  48.883 -76.687 -18.575
  602   1HB   LEU  73           HB2      LEU  73  46.919 -74.384 -18.575
  603   2HB   LEU  73           HB1      LEU  73  47.004 -75.608 -19.839
  604    HG   LEU  73           HG       LEU  73  46.607 -76.275 -16.906
  605   1HD1  LEU  73          HD11      LEU  73  44.216 -76.542 -17.457
  606   2HD1  LEU  73          HD12      LEU  73  44.528 -75.979 -19.100
  607   3HD1  LEU  73          HD13      LEU  73  44.740 -74.881 -17.736
  608   1HD2  LEU  73          HD21      LEU  73  47.312 -78.249 -17.976
  609   2HD2  LEU  73          HD22      LEU  73  46.523 -77.830 -19.496
  610   3HD2  LEU  73          HD23      LEU  73  45.562 -78.366 -18.121
  611    H    ARG  74           HN       ARG  74  49.706 -76.455 -20.626
  612    HA   ARG  74           HA       ARG  74  50.822 -73.803 -21.355
  613   1HB   ARG  74           HB2      ARG  74  52.616 -75.243 -20.454
  614   2HB   ARG  74           HB1      ARG  74  52.206 -76.485 -21.637
  615   1HG   ARG  74           HG2      ARG  74  52.731 -74.920 -23.474
  616   2HG   ARG  74           HG1      ARG  74  53.127 -73.670 -22.296
  617   1HD   ARG  74           HD2      ARG  74  54.512 -76.358 -22.461
  618   2HD   ARG  74           HD1      ARG  74  55.136 -74.877 -23.183
  619    HE   ARG  74           HE       ARG  74  55.119 -75.556 -20.359
  620   1HH1  ARG  74          HH11      ARG  74  55.207 -73.050 -22.742
  621   2HH1  ARG  74          HH12      ARG  74  56.062 -71.930 -21.734
  622   1HH2  ARG  74          HH21      ARG  74  56.281 -74.109 -19.045
  623   2HH2  ARG  74          HH22      ARG  74  56.670 -72.530 -19.641
  624    H    GLY  75           HN       GLY  75  50.353 -73.174 -23.364
  625   1HA   GLY  75           HA2      GLY  75  48.938 -75.042 -25.146
  626   2HA   GLY  75           HA1      GLY  75  48.969 -73.287 -25.287
  627    H    GLY  76           HN       GLY  76  49.398 -74.630 -27.558
  628   1HA   GLY  76           HA2      GLY  76  52.226 -75.116 -28.004
  629   2HA   GLY  76           HA1      GLY  76  50.941 -75.217 -29.204
  Start of MODEL    5
    1   1H    MET   1           HT1      MET   1  53.617 -89.519   9.109
    2   2H    MET   1           HT2      MET   1  54.277 -88.437  10.241
    3   3H    MET   1           HT3      MET   1  54.221 -88.020   8.595
    4    HA   MET   1           HA       MET   1  51.847 -88.466  10.317
    5   1HB   MET   1           HB2      MET   1  51.573 -86.004  10.134
    6   2HB   MET   1           HB1      MET   1  53.052 -86.444  10.983
    7   1HG   MET   1           HG2      MET   1  54.273 -86.215   8.782
    8   2HG   MET   1           HG1      MET   1  52.792 -85.532   8.109
    9   1HE   MET   1           HE1      MET   1  52.651 -83.214   7.786
   10   2HE   MET   1           HE2      MET   1  54.377 -83.405   7.483
   11   3HE   MET   1           HE3      MET   1  53.801 -82.035   8.431
   12    H    GLN   2           HN       GLN   2  49.873 -87.991   9.256
   13    HA   GLN   2           HA       GLN   2  49.981 -88.381   6.338
   14   1HB   GLN   2           HB2      GLN   2  47.774 -88.718   8.369
   15   2HB   GLN   2           HB1      GLN   2  47.497 -88.812   6.630
   16   1HG   GLN   2           HG2      GLN   2  49.022 -90.670   6.416
   17   2HG   GLN   2           HG1      GLN   2  49.548 -90.497   8.090
   18   1HE2  GLN   2          HE21      GLN   2  46.387 -89.849   8.428
   19   2HE2  GLN   2          HE22      GLN   2  45.764 -91.413   8.641
   20    H    ILE   3           HN       ILE   3  49.070 -86.987   4.908
   21    HA   ILE   3           HA       ILE   3  47.811 -84.508   5.905
   22    HB   ILE   3           HB       ILE   3  49.027 -83.174   4.320
   23   1HG1  ILE   3          HG12      ILE   3  50.710 -85.590   3.601
   24   2HG1  ILE   3          HG11      ILE   3  49.331 -85.092   2.620
   25   1HG2  ILE   3          HG21      ILE   3  50.911 -84.957   5.893
   26   2HG2  ILE   3          HG22      ILE   3  50.044 -83.563   6.536
   27   3HG2  ILE   3          HG23      ILE   3  51.279 -83.338   5.298
   28   1HD1  ILE   3          HD11      ILE   3  50.299 -82.889   2.283
   29   2HD1  ILE   3          HD12      ILE   3  51.477 -84.114   1.808
   30   3HD1  ILE   3          HD13      ILE   3  51.643 -83.280   3.355
   31    H    PHE   4           HN       PHE   4  46.664 -83.364   4.056
   32    HA   PHE   4           HA       PHE   4  45.462 -85.353   2.214
   33   1HB   PHE   4           HB2      PHE   4  44.065 -83.148   3.747
   34   2HB   PHE   4           HB1      PHE   4  43.314 -84.144   2.514
   35    HD1  PHE   4           HD1      PHE   4  44.684 -84.084   5.928
   36    HD2  PHE   4           HD2      PHE   4  42.853 -86.515   2.896
   37    HE1  PHE   4           HE1      PHE   4  44.221 -85.845   7.615
   38    HE2  PHE   4           HE2      PHE   4  42.391 -88.273   4.582
   39    HZ   PHE   4           HZ       PHE   4  43.076 -87.938   6.942
   40    H    VAL   5           HN       VAL   5  45.174 -84.700   0.116
   41    HA   VAL   5           HA       VAL   5  45.806 -81.872  -0.542
   42    HB   VAL   5           HB       VAL   5  46.436 -84.298  -2.245
   43   1HG1  VAL   5          HG11      VAL   5  45.974 -82.387  -3.636
   44   2HG1  VAL   5          HG12      VAL   5  47.730 -82.503  -3.526
   45   3HG1  VAL   5          HG13      VAL   5  46.863 -81.311  -2.559
   46   1HG2  VAL   5          HG21      VAL   5  48.736 -83.953  -1.673
   47   2HG2  VAL   5          HG22      VAL   5  47.869 -83.914  -0.139
   48   3HG2  VAL   5          HG23      VAL   5  48.389 -82.406  -0.896
   49    H    LYS   6           HN       LYS   6  44.125 -80.851  -1.490
   50    HA   LYS   6           HA       LYS   6  41.927 -82.492  -2.594
   51   1HB   LYS   6           HB2      LYS   6  42.064 -79.766  -1.373
   52   2HB   LYS   6           HB1      LYS   6  40.840 -80.051  -2.614
   53   1HG   LYS   6           HG2      LYS   6  40.013 -82.003  -1.327
   54   2HG   LYS   6           HG1      LYS   6  41.231 -81.702  -0.085
   55   1HD   LYS   6           HD2      LYS   6  40.261 -79.485   0.336
   56   2HD   LYS   6           HD1      LYS   6  39.048 -79.778  -0.909
   57   1HE   LYS   6           HE2      LYS   6  38.267 -81.771   0.382
   58   2HE   LYS   6           HE1      LYS   6  39.409 -81.350   1.658
   59   1HZ   LYS   6           HZ1      LYS   6  37.990 -79.046   1.059
   60   2HZ   LYS   6           HZ2      LYS   6  37.885 -79.988   2.469
   61   3HZ   LYS   6           HZ3      LYS   6  36.841 -80.289   1.163
   62    H    THR   7           HN       THR   7  41.217 -82.291  -4.673
   63    HA   THR   7           HA       THR   7  43.004 -80.840  -6.506
   64    HB   THR   7           HB       THR   7  42.261 -82.308  -8.239
   65    HG1  THR   7           HG1      THR   7  40.464 -83.428  -8.107
   66   1HG2  THR   7          HG21      THR   7  43.920 -83.204  -6.618
   67   2HG2  THR   7          HG22      THR   7  42.962 -84.455  -7.409
   68   3HG2  THR   7          HG23      THR   7  42.596 -83.981  -5.750
   69    H    LEU   8           HN       LEU   8  41.968 -80.120  -8.507
   70    HA   LEU   8           HA       LEU   8  40.065 -78.073  -7.948
   71   1HB   LEU   8           HB2      LEU   8  40.880 -79.229 -10.627
   72   2HB   LEU   8           HB1      LEU   8  40.076 -77.683 -10.368
   73    HG   LEU   8           HG       LEU   8  42.808 -78.450  -9.328
   74   1HD1  LEU   8          HD11      LEU   8  43.558 -76.668 -10.934
   75   2HD1  LEU   8          HD12      LEU   8  41.910 -76.611 -11.560
   76   3HD1  LEU   8          HD13      LEU   8  42.864 -78.086 -11.720
   77   1HD2  LEU   8          HD21      LEU   8  41.040 -76.042  -8.927
   78   2HD2  LEU   8          HD22      LEU   8  42.792 -75.832  -8.942
   79   3HD2  LEU   8          HD23      LEU   8  42.044 -76.891  -7.751
   80    H    THR   9           HN       THR   9  39.664 -81.414  -8.832
   81    HA   THR   9           HA       THR   9  36.907 -80.926  -9.724
   82    HB   THR   9           HB       THR   9  36.877 -83.230 -10.464
   83    HG1  THR   9           HG1      THR   9  38.030 -84.574  -9.376
   84   1HG2  THR   9          HG21      THR   9  38.730 -83.202 -12.070
   85   2HG2  THR   9          HG22      THR   9  39.564 -81.981 -11.110
   86   3HG2  THR   9          HG23      THR   9  38.045 -81.584 -11.914
   87    H    GLY  10           HN       GLY  10  38.145 -81.025  -6.823
   88   1HA   GLY  10           HA2      GLY  10  36.937 -81.139  -4.831
   89   2HA   GLY  10           HA1      GLY  10  35.635 -81.944  -5.697
   90    H    LYS  11           HN       LYS  11  38.748 -83.278  -6.181
   91    HA   LYS  11           HA       LYS  11  37.972 -85.653  -4.656
   92   1HB   LYS  11           HB2      LYS  11  38.939 -85.791  -6.991
   93   2HB   LYS  11           HB1      LYS  11  40.464 -85.237  -6.318
   94   1HG   LYS  11           HG2      LYS  11  40.637 -87.167  -4.891
   95   2HG   LYS  11           HG1      LYS  11  38.995 -87.675  -5.287
   96   1HD   LYS  11           HD2      LYS  11  40.615 -88.993  -6.580
   97   2HD   LYS  11           HD1      LYS  11  39.663 -87.969  -7.655
   98   1HE   LYS  11           HE2      LYS  11  42.248 -86.868  -6.593
   99   2HE   LYS  11           HE1      LYS  11  42.315 -88.075  -7.877
  100   1HZ   LYS  11           HZ1      LYS  11  41.494 -85.335  -7.999
  101   2HZ   LYS  11           HZ2      LYS  11  40.348 -86.384  -8.685
  102   3HZ   LYS  11           HZ3      LYS  11  41.950 -86.386  -9.250
  103    H    THR  12           HN       THR  12  39.101 -86.383  -2.805
  104    HA   THR  12           HA       THR  12  41.282 -84.600  -1.841
  105    HB   THR  12           HB       THR  12  39.352 -86.244  -0.161
  106    HG1  THR  12           HG1      THR  12  38.740 -84.077   0.498
  107   1HG2  THR  12          HG21      THR  12  41.637 -84.368   0.528
  108   2HG2  THR  12          HG22      THR  12  41.537 -86.091   0.890
  109   3HG2  THR  12          HG23      THR  12  40.459 -84.956   1.701
  110    H    ILE  13           HN       ILE  13  43.239 -85.556  -1.685
  111    HA   ILE  13           HA       ILE  13  43.355 -88.528  -1.691
  112    HB   ILE  13           HB       ILE  13  45.711 -86.773  -2.409
  113   1HG1  ILE  13          HG12      ILE  13  43.412 -87.582  -4.210
  114   2HG1  ILE  13          HG11      ILE  13  43.976 -85.948  -3.862
  115   1HG2  ILE  13          HG21      ILE  13  44.885 -89.470  -3.500
  116   2HG2  ILE  13          HG22      ILE  13  45.810 -89.311  -2.007
  117   3HG2  ILE  13          HG23      ILE  13  46.483 -88.725  -3.528
  118   1HD1  ILE  13          HD11      ILE  13  44.886 -86.485  -5.994
  119   2HD1  ILE  13          HD12      ILE  13  45.382 -88.092  -5.461
  120   3HD1  ILE  13          HD13      ILE  13  46.221 -86.665  -4.856
  121    H    THR  14           HN       THR  14  44.479 -89.577  -0.115
  122    HA   THR  14           HA       THR  14  45.543 -87.925   2.086
  123    HB   THR  14           HB       THR  14  44.758 -90.856   2.033
  124    HG1  THR  14           HG1      THR  14  43.421 -88.503   2.549
  125   1HG2  THR  14          HG21      THR  14  46.458 -90.553   3.680
  126   2HG2  THR  14          HG22      THR  14  44.929 -90.515   4.557
  127   3HG2  THR  14          HG23      THR  14  45.777 -89.011   4.199
  128    H    LEU  15           HN       LEU  15  47.697 -87.940   2.484
  129    HA   LEU  15           HA       LEU  15  49.365 -89.978   1.104
  130   1HB   LEU  15           HB2      LEU  15  49.983 -87.042   1.506
  131   2HB   LEU  15           HB1      LEU  15  51.052 -88.225   0.759
  132    HG   LEU  15           HG       LEU  15  48.280 -87.551  -0.271
  133   1HD1  LEU  15          HD11      LEU  15  49.397 -86.223  -1.980
  134   2HD1  LEU  15          HD12      LEU  15  50.977 -86.643  -1.318
  135   3HD1  LEU  15          HD13      LEU  15  49.872 -85.630  -0.389
  136   1HD2  LEU  15          HD21      LEU  15  50.537 -89.322  -1.222
  137   2HD2  LEU  15          HD22      LEU  15  49.419 -88.615  -2.387
  138   3HD2  LEU  15          HD23      LEU  15  48.813 -89.681  -1.125
  139    H    GLU  16           HN       GLU  16  51.211 -90.667   2.203
  140    HA   GLU  16           HA       GLU  16  51.323 -89.955   5.078
  141   1HB   GLU  16           HB2      GLU  16  51.049 -92.390   4.600
  142   2HB   GLU  16           HB1      GLU  16  52.515 -92.349   3.620
  143   1HG   GLU  16           HG2      GLU  16  53.820 -91.642   5.590
  144   2HG   GLU  16           HG1      GLU  16  52.358 -91.678   6.573
  145    H    VAL  17           HN       VAL  17  52.935 -88.606   5.617
  146    HA   VAL  17           HA       VAL  17  55.410 -88.569   3.994
  147    HB   VAL  17           HB       VAL  17  55.350 -86.095   4.005
  148   1HG1  VAL  17          HG11      VAL  17  52.893 -87.388   2.782
  149   2HG1  VAL  17          HG12      VAL  17  54.492 -87.315   2.043
  150   3HG1  VAL  17          HG13      VAL  17  53.575 -85.833   2.306
  151   1HG2  VAL  17          HG21      VAL  17  52.630 -86.584   5.250
  152   2HG2  VAL  17          HG22      VAL  17  53.106 -85.041   4.543
  153   3HG2  VAL  17          HG23      VAL  17  53.976 -85.676   5.940
  154    H    GLU  18           HN       GLU  18  57.077 -87.192   5.031
  155    HA   GLU  18           HA       GLU  18  56.925 -87.306   7.985
  156   1HB   GLU  18           HB2      GLU  18  59.365 -87.660   6.196
  157   2HB   GLU  18           HB1      GLU  18  59.414 -87.539   7.945
  158   1HG   GLU  18           HG2      GLU  18  59.416 -89.877   7.529
  159   2HG   GLU  18           HG1      GLU  18  57.705 -89.521   7.899
  160    HA   PRO  19           HA       PRO  19  57.343 -82.914   7.723
  161   1HB   PRO  19           HB2      PRO  19  59.370 -82.861   9.905
  162   2HB   PRO  19           HB1      PRO  19  57.799 -82.037   9.796
  163   1HG   PRO  19           HG2      PRO  19  58.151 -84.187  11.385
  164   2HG   PRO  19           HG1      PRO  19  56.630 -83.882  10.531
  165   1HD   PRO  19           HD2      PRO  19  58.793 -85.869   9.837
  166   2HD   PRO  19           HD1      PRO  19  57.020 -86.011   9.716
  167    H    SER  20           HN       SER  20  60.231 -84.877   7.706
  168    HA   SER  20           HA       SER  20  61.917 -82.749   6.671
  169   1HB   SER  20           HB2      SER  20  62.632 -84.701   8.202
  170   2HB   SER  20           HB1      SER  20  62.681 -85.651   6.720
  171    HG   SER  20           HG       SER  20  64.028 -83.196   7.204
  172    H    ASP  21           HN       ASP  21  59.549 -84.606   5.248
  173    HA   ASP  21           HA       ASP  21  60.896 -85.374   2.838
  174   1HB   ASP  21           HB2      ASP  21  58.003 -85.033   3.627
  175   2HB   ASP  21           HB1      ASP  21  58.459 -85.382   1.960
  176    H    THR  22           HN       THR  22  61.005 -84.303   0.950
  177    HA   THR  22           HA       THR  22  60.799 -81.415   1.051
  178    HB   THR  22           HB       THR  22  61.872 -81.450  -1.112
  179    HG1  THR  22           HG1      THR  22  62.136 -84.224  -0.997
  180   1HG2  THR  22          HG21      THR  22  63.966 -82.767  -0.473
  181   2HG2  THR  22          HG22      THR  22  63.097 -83.238   0.988
  182   3HG2  THR  22          HG23      THR  22  63.437 -81.536   0.674
  183    H    ILE  23           HN       ILE  23  59.694 -80.214  -0.559
  184    HA   ILE  23           HA       ILE  23  57.035 -81.057  -1.084
  185    HB   ILE  23           HB       ILE  23  58.729 -78.858  -2.245
  186   1HG1  ILE  23          HG12      ILE  23  58.356 -78.635   0.132
  187   2HG1  ILE  23          HG11      ILE  23  57.439 -77.407  -0.712
  188   1HG2  ILE  23          HG21      ILE  23  56.990 -79.283  -3.838
  189   2HG2  ILE  23          HG22      ILE  23  56.520 -77.851  -2.921
  190   3HG2  ILE  23          HG23      ILE  23  55.781 -79.412  -2.560
  191   1HD1  ILE  23          HD11      ILE  23  55.511 -79.231  -0.605
  192   2HD1  ILE  23          HD12      ILE  23  55.840 -78.174   0.767
  193   3HD1  ILE  23          HD13      ILE  23  56.470 -79.817   0.750
  194    H    GLU  24           HN       GLU  24  59.981 -81.101  -3.049
  195    HA   GLU  24           HA       GLU  24  58.784 -81.935  -5.472
  196   1HB   GLU  24           HB2      GLU  24  61.148 -81.156  -5.293
  197   2HB   GLU  24           HB1      GLU  24  61.543 -82.619  -4.399
  198   1HG   GLU  24           HG2      GLU  24  60.866 -83.994  -6.331
  199   2HG   GLU  24           HG1      GLU  24  60.463 -82.533  -7.231
  200    H    ASN  25           HN       ASN  25  59.896 -83.672  -2.605
  201    HA   ASN  25           HA       ASN  25  59.538 -86.286  -3.688
  202   1HB   ASN  25           HB2      ASN  25  60.853 -85.726  -1.598
  203   2HB   ASN  25           HB1      ASN  25  59.311 -85.502  -0.773
  204   1HD2  ASN  25          HD21      ASN  25  58.459 -87.354   0.172
  205   2HD2  ASN  25          HD22      ASN  25  58.885 -88.943  -0.245
  206    H    VAL  26           HN       VAL  26  57.432 -84.091  -1.862
  207    HA   VAL  26           HA       VAL  26  55.233 -85.887  -1.635
  208    HB   VAL  26           HB       VAL  26  55.311 -82.853  -1.714
  209   1HG1  VAL  26          HG11      VAL  26  53.091 -83.437  -2.310
  210   2HG1  VAL  26          HG12      VAL  26  53.026 -83.149  -0.571
  211   3HG1  VAL  26          HG13      VAL  26  53.062 -84.800  -1.190
  212   1HG2  VAL  26          HG21      VAL  26  56.474 -84.125   0.182
  213   2HG2  VAL  26          HG22      VAL  26  54.866 -84.666   0.664
  214   3HG2  VAL  26          HG23      VAL  26  55.255 -82.947   0.663
  215    H    LYS  27           HN       LYS  27  56.129 -83.555  -4.180
  216    HA   LYS  27           HA       LYS  27  53.829 -83.860  -5.770
  217   1HB   LYS  27           HB2      LYS  27  56.699 -83.451  -6.657
  218   2HB   LYS  27           HB1      LYS  27  55.276 -83.253  -7.668
  219   1HG   LYS  27           HG2      LYS  27  54.609 -81.493  -5.703
  220   2HG   LYS  27           HG1      LYS  27  56.392 -81.411  -5.588
  221   1HD   LYS  27           HD2      LYS  27  56.465 -81.090  -8.048
  222   2HD   LYS  27           HD1      LYS  27  54.718 -80.910  -8.025
  223   1HE   LYS  27           HE2      LYS  27  54.817 -78.830  -7.027
  224   2HE   LYS  27           HE1      LYS  27  56.251 -79.229  -6.079
  225   1HZ   LYS  27           HZ1      LYS  27  56.263 -78.806  -9.015
  226   2HZ   LYS  27           HZ2      LYS  27  57.612 -78.990  -8.000
  227   3HZ   LYS  27           HZ3      LYS  27  56.640 -77.601  -7.883
  228    H    ALA  28           HN       ALA  28  56.856 -85.685  -5.543
  229    HA   ALA  28           HA       ALA  28  56.422 -87.370  -7.747
  230   1HB   ALA  28           HB1      ALA  28  58.043 -88.922  -6.506
  231   2HB   ALA  28           HB2      ALA  28  58.110 -87.666  -5.270
  232   3HB   ALA  28           HB3      ALA  28  58.629 -87.311  -6.918
  233    H    LYS  29           HN       LYS  29  55.440 -87.643  -4.365
  234    HA   LYS  29           HA       LYS  29  54.439 -90.303  -4.555
  235   1HB   LYS  29           HB2      LYS  29  53.713 -88.020  -2.704
  236   2HB   LYS  29           HB1      LYS  29  53.031 -89.636  -2.558
  237   1HG   LYS  29           HG2      LYS  29  55.300 -90.568  -2.262
  238   2HG   LYS  29           HG1      LYS  29  55.981 -88.944  -2.402
  239   1HD   LYS  29           HD2      LYS  29  54.671 -88.219  -0.437
  240   2HD   LYS  29           HD1      LYS  29  53.991 -89.839  -0.293
  241   1HE   LYS  29           HE2      LYS  29  56.129 -90.783   0.238
  242   2HE   LYS  29           HE1      LYS  29  56.965 -89.296  -0.199
  243   1HZ   LYS  29           HZ1      LYS  29  54.927 -89.339   1.933
  244   2HZ   LYS  29           HZ2      LYS  29  56.162 -88.203   1.666
  245   3HZ   LYS  29           HZ3      LYS  29  56.541 -89.750   2.257
  246    H    ILE  30           HN       ILE  30  53.020 -87.103  -5.129
  247    HA   ILE  30           HA       ILE  30  50.345 -87.994  -5.619
  248    HB   ILE  30           HB       ILE  30  51.848 -85.492  -6.431
  249   1HG1  ILE  30          HG12      ILE  30  49.732 -86.146  -4.349
  250   2HG1  ILE  30          HG11      ILE  30  51.429 -85.765  -4.043
  251   1HG2  ILE  30          HG21      ILE  30  48.910 -86.204  -6.799
  252   2HG2  ILE  30          HG22      ILE  30  50.070 -85.904  -8.093
  253   3HG2  ILE  30          HG23      ILE  30  49.582 -84.593  -7.034
  254   1HD1  ILE  30          HD11      ILE  30  50.300 -83.738  -3.614
  255   2HD1  ILE  30          HD12      ILE  30  49.226 -83.944  -4.999
  256   3HD1  ILE  30          HD13      ILE  30  50.925 -83.531  -5.251
  257    H    GLN  31           HN       GLN  31  53.181 -87.555  -7.738
  258    HA   GLN  31           HA       GLN  31  51.896 -88.002 -10.196
  259   1HB   GLN  31           HB2      GLN  31  54.212 -87.184 -10.002
  260   2HB   GLN  31           HB1      GLN  31  54.705 -88.721  -9.291
  261   1HG   GLN  31           HG2      GLN  31  54.104 -89.881 -11.387
  262   2HG   GLN  31           HG1      GLN  31  53.576 -88.350 -12.085
  263   1HE2  GLN  31          HE21      GLN  31  56.181 -87.603 -10.139
  264   2HE2  GLN  31          HE22      GLN  31  57.421 -87.699 -11.294
  265    H    ASP  32           HN       ASP  32  53.410 -90.193  -7.908
  266    HA   ASP  32           HA       ASP  32  53.097 -92.572  -9.372
  267   1HB   ASP  32           HB2      ASP  32  54.516 -92.401  -7.374
  268   2HB   ASP  32           HB1      ASP  32  53.082 -92.206  -6.368
  269    H    LYS  33           HN       LYS  33  50.908 -90.961  -7.105
  270    HA   LYS  33           HA       LYS  33  48.943 -93.068  -7.232
  271   1HB   LYS  33           HB2      LYS  33  48.731 -90.274  -6.144
  272   2HB   LYS  33           HB1      LYS  33  47.595 -91.579  -5.824
  273   1HG   LYS  33           HG2      LYS  33  50.033 -92.728  -5.086
  274   2HG   LYS  33           HG1      LYS  33  50.209 -91.059  -4.553
  275   1HD   LYS  33           HD2      LYS  33  48.079 -91.216  -3.324
  276   2HD   LYS  33           HD1      LYS  33  47.901 -92.887  -3.859
  277   1HE   LYS  33           HE2      LYS  33  48.850 -92.712  -1.558
  278   2HE   LYS  33           HE1      LYS  33  49.941 -93.524  -2.682
  279   1HZ   LYS  33           HZ1      LYS  33  51.439 -91.905  -2.500
  280   2HZ   LYS  33           HZ2      LYS  33  50.582 -91.406  -1.120
  281   3HZ   LYS  33           HZ3      LYS  33  50.279 -90.674  -2.624
  282    H    GLU  34           HN       GLU  34  49.150 -89.789  -8.665
  283    HA   GLU  34           HA       GLU  34  46.544 -90.304  -9.983
  284   1HB   GLU  34           HB2      GLU  34  47.974 -87.759  -9.247
  285   2HB   GLU  34           HB1      GLU  34  46.491 -87.812 -10.205
  286   1HG   GLU  34           HG2      GLU  34  46.825 -89.154  -7.530
  287   2HG   GLU  34           HG1      GLU  34  46.164 -87.507  -7.669
  288    H    GLY  35           HN       GLY  35  49.862 -89.941 -10.836
  289   1HA   GLY  35           HA2      GLY  35  50.778 -90.271 -12.939
  290   2HA   GLY  35           HA1      GLY  35  49.162 -90.238 -13.637
  291    H    ILE  36           HN       ILE  36  49.718 -87.573 -11.647
  292    HA   ILE  36           HA       ILE  36  49.774 -85.770 -13.929
  293    HB   ILE  36           HB       ILE  36  49.876 -85.110 -10.987
  294   1HG1  ILE  36          HG12      ILE  36  47.345 -85.062 -12.643
  295   2HG1  ILE  36          HG11      ILE  36  47.861 -86.575 -11.908
  296   1HG2  ILE  36          HG21      ILE  36  48.948 -82.959 -11.754
  297   2HG2  ILE  36          HG22      ILE  36  48.954 -83.538 -13.417
  298   3HG2  ILE  36          HG23      ILE  36  50.477 -83.290 -12.569
  299   1HD1  ILE  36          HD11      ILE  36  46.337 -85.405 -10.397
  300   2HD1  ILE  36          HD12      ILE  36  47.363 -83.971 -10.441
  301   3HD1  ILE  36          HD13      ILE  36  47.953 -85.455  -9.693
  302    HA   PRO  37           HA       PRO  37  54.303 -85.743 -13.565
  303   1HB   PRO  37           HB2      PRO  37  54.206 -83.447 -15.466
  304   2HB   PRO  37           HB1      PRO  37  55.104 -84.972 -15.604
  305   1HG   PRO  37           HG2      PRO  37  52.915 -84.480 -17.076
  306   2HG   PRO  37           HG1      PRO  37  53.307 -86.104 -16.485
  307   1HD   PRO  37           HD2      PRO  37  51.239 -84.182 -15.444
  308   2HD   PRO  37           HD1      PRO  37  51.192 -85.958 -15.582
  309    HA   PRO  38           HA       PRO  38  54.665 -82.673 -10.303
  310   1HB   PRO  38           HB2      PRO  38  57.579 -82.722 -11.100
  311   2HB   PRO  38           HB1      PRO  38  56.871 -82.868  -9.483
  312   1HG   PRO  38           HG2      PRO  38  57.810 -84.996 -10.762
  313   2HG   PRO  38           HG1      PRO  38  56.344 -85.092  -9.765
  314   1HD   PRO  38           HD2      PRO  38  56.588 -85.106 -12.747
  315   2HD   PRO  38           HD1      PRO  38  55.377 -85.870 -11.687
  316    H    ASP  39           HN       ASP  39  56.152 -82.026 -13.455
  317    HA   ASP  39           HA       ASP  39  56.655 -79.286 -12.863
  318   1HB   ASP  39           HB2      ASP  39  57.179 -79.047 -15.205
  319   2HB   ASP  39           HB1      ASP  39  57.803 -80.599 -14.651
  320    H    GLN  40           HN       GLN  40  53.778 -80.967 -13.597
  321    HA   GLN  40           HA       GLN  40  52.424 -78.530 -14.567
  322   1HB   GLN  40           HB2      GLN  40  51.534 -81.422 -14.499
  323   2HB   GLN  40           HB1      GLN  40  50.506 -80.082 -15.004
  324   1HG   GLN  40           HG2      GLN  40  52.252 -79.481 -16.701
  325   2HG   GLN  40           HG1      GLN  40  53.107 -80.961 -16.278
  326   1HE2  GLN  40          HE21      GLN  40  52.737 -81.931 -18.395
  327   2HE2  GLN  40          HE22      GLN  40  51.195 -82.465 -18.861
  328    H    GLN  41           HN       GLN  41  53.123 -79.853 -11.669
  329    HA   GLN  41           HA       GLN  41  50.474 -79.296 -10.464
  330   1HB   GLN  41           HB2      GLN  41  52.900 -80.747  -9.424
  331   2HB   GLN  41           HB1      GLN  41  51.442 -80.461  -8.481
  332   1HG   GLN  41           HG2      GLN  41  50.143 -81.638 -10.278
  333   2HG   GLN  41           HG1      GLN  41  51.680 -82.039 -11.048
  334   1HE2  GLN  41          HE21      GLN  41  51.897 -84.263 -10.640
  335   2HE2  GLN  41          HE22      GLN  41  51.828 -84.952  -9.091
  336    H    ARG  42           HN       ARG  42  50.122 -77.767  -9.002
  337    HA   ARG  42           HA       ARG  42  52.383 -76.204  -7.909
  338   1HB   ARG  42           HB2      ARG  42  49.731 -75.166  -8.894
  339   2HB   ARG  42           HB1      ARG  42  50.811 -74.228  -7.872
  340   1HG   ARG  42           HG2      ARG  42  52.572 -74.438  -9.594
  341   2HG   ARG  42           HG1      ARG  42  51.457 -75.359 -10.605
  342   1HD   ARG  42           HD2      ARG  42  49.906 -73.436 -10.641
  343   2HD   ARG  42           HD1      ARG  42  51.034 -72.513  -9.654
  344    HE   ARG  42           HE       ARG  42  51.207 -72.928 -12.474
  345   1HH1  ARG  42          HH21      ARG  42  52.407 -70.648 -10.805
  346   2HH1  ARG  42          HH22      ARG  42  54.101 -70.902 -11.058
  347   1HH2  ARG  42          HH11      ARG  42  53.704 -74.125 -12.275
  348   2HH2  ARG  42          HH12      ARG  42  54.836 -72.872 -11.890
  349    H    LEU  43           HN       LEU  43  52.423 -76.404  -5.743
  350    HA   LEU  43           HA       LEU  43  49.956 -77.265  -4.356
  351   1HB   LEU  43           HB2      LEU  43  52.878 -77.473  -3.571
  352   2HB   LEU  43           HB1      LEU  43  51.508 -77.951  -2.566
  353    HG   LEU  43           HG       LEU  43  52.026 -79.096  -5.330
  354   1HD1  LEU  43          HD11      LEU  43  52.852 -80.078  -2.583
  355   2HD1  LEU  43          HD12      LEU  43  53.904 -79.721  -3.952
  356   3HD1  LEU  43          HD13      LEU  43  52.823 -81.113  -4.011
  357   1HD2  LEU  43          HD21      LEU  43  50.571 -80.963  -4.253
  358   2HD2  LEU  43          HD22      LEU  43  49.751 -79.484  -4.731
  359   3HD2  LEU  43          HD23      LEU  43  50.153 -79.757  -3.039
  360    H    ILE  44           HN       ILE  44  48.962 -76.007  -2.987
  361    HA   ILE  44           HA       ILE  44  50.334 -73.577  -1.978
  362    HB   ILE  44           HB       ILE  44  47.544 -73.929  -3.089
  363   1HG1  ILE  44          HG12      ILE  44  48.352 -71.508  -3.938
  364   2HG1  ILE  44          HG11      ILE  44  49.934 -72.196  -3.702
  365   1HG2  ILE  44          HG21      ILE  44  47.051 -72.864  -1.024
  366   2HG2  ILE  44          HG22      ILE  44  47.177 -71.535  -2.176
  367   3HG2  ILE  44          HG23      ILE  44  48.517 -71.884  -1.083
  368   1HD1  ILE  44          HD11      ILE  44  49.681 -72.939  -5.814
  369   2HD1  ILE  44          HD12      ILE  44  47.919 -72.832  -5.753
  370   3HD1  ILE  44          HD13      ILE  44  48.745 -74.232  -5.064
  371    H    PHE  45           HN       PHE  45  50.142 -73.113   0.109
  372    HA   PHE  45           HA       PHE  45  48.242 -74.610   1.780
  373   1HB   PHE  45           HB2      PHE  45  50.320 -75.836   2.045
  374   2HB   PHE  45           HB1      PHE  45  51.213 -74.345   2.308
  375    HD1  PHE  45           HD1      PHE  45  51.051 -73.116   4.400
  376    HD2  PHE  45           HD2      PHE  45  48.800 -76.717   3.765
  377    HE1  PHE  45           HE1      PHE  45  50.546 -73.225   6.825
  378    HE2  PHE  45           HE2      PHE  45  48.295 -76.827   6.191
  379    HZ   PHE  45           HZ       PHE  45  49.169 -75.083   7.721
  380    H    ALA  46           HN       ALA  46  47.159 -73.282   3.046
  381    HA   ALA  46           HA       ALA  46  46.424 -71.327   3.967
  382   1HB   ALA  46           HB1      ALA  46  49.323 -71.310   4.817
  383   2HB   ALA  46           HB2      ALA  46  47.962 -72.017   5.690
  384   3HB   ALA  46           HB3      ALA  46  48.076 -70.267   5.501
  385    H    GLY  47           HN       GLY  47  47.034 -71.060   1.231
  386   1HA   GLY  47           HA2      GLY  47  46.881 -69.238  -0.205
  387   2HA   GLY  47           HA1      GLY  47  47.290 -68.192   1.135
  388    H    LYS  48           HN       LYS  48  49.741 -70.487   1.056
  389    HA   LYS  48           HA       LYS  48  51.408 -68.706  -0.642
  390   1HB   LYS  48           HB2      LYS  48  52.336 -70.587   1.509
  391   2HB   LYS  48           HB1      LYS  48  53.286 -69.332   0.733
  392   1HG   LYS  48           HG2      LYS  48  51.791 -67.595   1.676
  393   2HG   LYS  48           HG1      LYS  48  50.848 -68.844   2.478
  394   1HD   LYS  48           HD2      LYS  48  53.820 -68.441   2.929
  395   2HD   LYS  48           HD1      LYS  48  52.580 -67.709   3.943
  396   1HE   LYS  48           HE2      LYS  48  51.679 -70.149   4.198
  397   2HE   LYS  48           HE1      LYS  48  53.280 -70.623   3.631
  398   1HZ   LYS  48           HZ1      LYS  48  53.349 -68.594   5.656
  399   2HZ   LYS  48           HZ2      LYS  48  54.202 -70.060   5.557
  400   3HZ   LYS  48           HZ3      LYS  48  52.626 -70.032   6.191
  401    H    GLN  49           HN       GLN  49  52.636 -69.540  -2.278
  402    HA   GLN  49           HA       GLN  49  52.107 -72.272  -3.125
  403   1HB   GLN  49           HB2      GLN  49  53.844 -70.064  -4.256
  404   2HB   GLN  49           HB1      GLN  49  53.701 -71.664  -4.984
  405   1HG   GLN  49           HG2      GLN  49  51.353 -71.374  -5.367
  406   2HG   GLN  49           HG1      GLN  49  51.319 -69.895  -4.408
  407   1HE2  GLN  49          HE21      GLN  49  50.396 -69.757  -7.049
  408   2HE2  GLN  49          HE22      GLN  49  51.513 -68.906  -8.002
  409    H    LEU  50           HN       LEU  50  53.359 -73.996  -2.671
  410    HA   LEU  50           HA       LEU  50  55.713 -73.622  -0.986
  411   1HB   LEU  50           HB2      LEU  50  54.481 -76.201  -1.977
  412   2HB   LEU  50           HB1      LEU  50  55.621 -75.995  -0.658
  413    HG   LEU  50           HG       LEU  50  52.847 -74.793  -0.755
  414   1HD1  LEU  50          HD11      LEU  50  52.154 -76.507   0.755
  415   2HD1  LEU  50          HD12      LEU  50  53.814 -77.025   1.046
  416   3HD1  LEU  50          HD13      LEU  50  53.051 -77.345  -0.511
  417   1HD2  LEU  50          HD21      LEU  50  55.112 -74.702   1.234
  418   2HD2  LEU  50          HD22      LEU  50  53.454 -74.569   1.802
  419   3HD2  LEU  50          HD23      LEU  50  54.089 -73.386   0.664
  420    H    GLU  51           HN       GLU  51  57.811 -73.955  -1.574
  421    HA   GLU  51           HA       GLU  51  58.331 -74.355  -4.433
  422   1HB   GLU  51           HB2      GLU  51  60.217 -73.597  -2.176
  423   2HB   GLU  51           HB1      GLU  51  60.682 -73.737  -3.853
  424   1HG   GLU  51           HG2      GLU  51  59.161 -71.597  -2.438
  425   2HG   GLU  51           HG1      GLU  51  60.268 -71.453  -3.802
  426    H    ASP  52           HN       ASP  52  59.750 -75.840  -5.301
  427    HA   ASP  52           HA       ASP  52  59.508 -78.436  -4.226
  428   1HB   ASP  52           HB2      ASP  52  61.069 -77.357  -6.564
  429   2HB   ASP  52           HB1      ASP  52  60.936 -79.063  -6.167
  430    H    GLY  53           HN       GLY  53  61.998 -76.068  -3.740
  431   1HA   GLY  53           HA2      GLY  53  63.962 -78.117  -2.946
  432   2HA   GLY  53           HA1      GLY  53  64.252 -76.390  -3.081
  433    H    ARG  54           HN       ARG  54  61.388 -76.813  -1.396
  434    HA   ARG  54           HA       ARG  54  62.802 -76.602   1.226
  435   1HB   ARG  54           HB2      ARG  54  60.118 -75.558   0.338
  436   2HB   ARG  54           HB1      ARG  54  60.760 -75.394   1.968
  437   1HG   ARG  54           HG2      ARG  54  61.848 -74.133  -0.583
  438   2HG   ARG  54           HG1      ARG  54  61.117 -73.329   0.774
  439   1HD   ARG  54           HD2      ARG  54  63.000 -74.278   2.221
  440   2HD   ARG  54           HD1      ARG  54  63.822 -74.675   0.713
  441    HE   ARG  54           HE       ARG  54  63.117 -72.030   0.450
  442   1HH1  ARG  54          HH11      ARG  54  65.933 -73.384   0.906
  443   2HH1  ARG  54          HH12      ARG  54  66.550 -72.352   2.153
  444   1HH2  ARG  54          HH21      ARG  54  63.470 -70.926   2.863
  445   2HH2  ARG  54          HH22      ARG  54  65.155 -70.960   3.261
  446    H    THR  55           HN       THR  55  61.512 -77.385   3.137
  447    HA   THR  55           HA       THR  55  60.193 -79.963   2.500
  448    HB   THR  55           HB       THR  55  60.729 -80.692   4.737
  449    HG1  THR  55           HG1      THR  55  62.404 -79.030   5.684
  450   1HG2  THR  55          HG21      THR  55  63.286 -79.508   3.682
  451   2HG2  THR  55          HG22      THR  55  62.436 -80.760   2.776
  452   3HG2  THR  55          HG23      THR  55  63.015 -81.094   4.411
  453    H    LEU  56           HN       LEU  56  58.601 -80.732   4.069
  454    HA   LEU  56           HA       LEU  56  56.377 -78.995   4.329
  455   1HB   LEU  56           HB2      LEU  56  56.980 -81.528   5.866
  456   2HB   LEU  56           HB1      LEU  56  55.411 -80.733   5.790
  457    HG   LEU  56           HG       LEU  56  56.907 -81.793   3.378
  458   1HD1  LEU  56          HD11      LEU  56  55.177 -83.605   3.449
  459   2HD1  LEU  56          HD12      LEU  56  54.677 -83.002   5.029
  460   3HD1  LEU  56          HD13      LEU  56  56.303 -83.646   4.806
  461   1HD2  LEU  56          HD21      LEU  56  55.333 -80.113   2.668
  462   2HD2  LEU  56          HD22      LEU  56  54.134 -80.641   3.837
  463   3HD2  LEU  56          HD23      LEU  56  54.497 -81.639   2.433
  464    H    SER  57           HN       SER  57  58.834 -79.940   6.779
  465    HA   SER  57           HA       SER  57  57.539 -78.652   8.903
  466   1HB   SER  57           HB2      SER  57  59.679 -78.676  10.066
  467   2HB   SER  57           HB1      SER  57  59.352 -80.246   9.282
  468    HG   SER  57           HG       SER  57  61.499 -78.866   9.026
  469    H    ASP  58           HN       ASP  58  59.586 -77.357   6.393
  470    HA   ASP  58           HA       ASP  58  60.261 -74.913   7.634
  471   1HB   ASP  58           HB2      ASP  58  59.894 -75.630   4.718
  472   2HB   ASP  58           HB1      ASP  58  60.489 -74.072   5.254
  473    H    TYR  59           HN       TYR  59  57.296 -76.009   6.127
  474    HA   TYR  59           HA       TYR  59  56.161 -73.282   6.241
  475   1HB   TYR  59           HB2      TYR  59  55.163 -75.833   4.942
  476   2HB   TYR  59           HB1      TYR  59  54.212 -74.349   5.042
  477    HD1  TYR  59           HD1      TYR  59  57.131 -75.987   3.556
  478    HD2  TYR  59           HD2      TYR  59  54.864 -72.349   3.775
  479    HE1  TYR  59           HE1      TYR  59  58.304 -75.132   1.565
  480    HE2  TYR  59           HE2      TYR  59  56.051 -71.487   1.773
  481    HH   TYR  59           HH       TYR  59  58.795 -72.488   0.699
  482    H    ASN  60           HN       ASN  60  56.630 -75.359   8.506
  483    HA   ASN  60           HA       ASN  60  55.601 -76.083  10.387
  484   1HB   ASN  60           HB2      ASN  60  54.278 -74.452  11.541
  485   2HB   ASN  60           HB1      ASN  60  55.529 -73.595  10.646
  486   1HD2  ASN  60          HD21      ASN  60  54.831 -71.979   9.222
  487   2HD2  ASN  60          HD22      ASN  60  53.217 -71.748   8.753
  488    H    ILE  61           HN       ILE  61  54.599 -77.334   8.082
  489    HA   ILE  61           HA       ILE  61  51.696 -77.437   8.326
  490    HB   ILE  61           HB       ILE  61  53.685 -79.017   6.661
  491   1HG1  ILE  61          HG12      ILE  61  51.618 -76.942   5.873
  492   2HG1  ILE  61          HG11      ILE  61  53.312 -76.566   6.167
  493   1HG2  ILE  61          HG21      ILE  61  50.657 -79.019   6.563
  494   2HG2  ILE  61          HG22      ILE  61  51.643 -80.358   7.146
  495   3HG2  ILE  61          HG23      ILE  61  51.717 -79.878   5.451
  496   1HD1  ILE  61          HD11      ILE  61  52.641 -76.971   3.727
  497   2HD1  ILE  61          HD12      ILE  61  52.462 -78.668   4.168
  498   3HD1  ILE  61          HD13      ILE  61  54.032 -77.880   4.317
  499    H    GLN  62           HN       GLN  62  50.656 -78.679   9.753
  500    HA   GLN  62           HA       GLN  62  52.192 -80.710  11.240
  501   1HB   GLN  62           HB2      GLN  62  49.752 -79.050  11.923
  502   2HB   GLN  62           HB1      GLN  62  50.325 -80.372  12.941
  503   1HG   GLN  62           HG2      GLN  62  52.489 -79.279  13.213
  504   2HG   GLN  62           HG1      GLN  62  52.011 -77.996  12.103
  505   1HE2  GLN  62          HE21      GLN  62  51.051 -76.181  13.046
  506   2HE2  GLN  62          HE22      GLN  62  50.418 -76.134  14.620
  507    H    LYS  63           HN       LYS  63  50.864 -82.517  12.160
  508    HA   LYS  63           HA       LYS  63  49.940 -84.151  10.141
  509   1HB   LYS  63           HB2      LYS  63  48.887 -85.587  11.815
  510   2HB   LYS  63           HB1      LYS  63  50.507 -85.090  12.304
  511   1HG   LYS  63           HG2      LYS  63  49.421 -83.206  13.614
  512   2HG   LYS  63           HG1      LYS  63  47.870 -83.973  13.282
  513   1HD   LYS  63           HD2      LYS  63  48.392 -84.922  15.347
  514   2HD   LYS  63           HD1      LYS  63  49.056 -86.133  14.253
  515   1HE   LYS  63           HE2      LYS  63  51.295 -85.108  14.470
  516   2HE   LYS  63           HE1      LYS  63  50.630 -83.879  15.544
  517   1HZ   LYS  63           HZ1      LYS  63  49.781 -86.064  16.763
  518   2HZ   LYS  63           HZ2      LYS  63  51.289 -85.355  17.097
  519   3HZ   LYS  63           HZ3      LYS  63  51.187 -86.691  16.051
  520    H    GLU  64           HN       GLU  64  48.047 -84.680   9.240
  521    HA   GLU  64           HA       GLU  64  45.929 -84.467   8.426
  522   1HB   GLU  64           HB2      GLU  64  45.282 -83.285  11.129
  523   2HB   GLU  64           HB1      GLU  64  44.093 -83.688   9.898
  524   1HG   GLU  64           HG2      GLU  64  44.998 -86.041   9.912
  525   2HG   GLU  64           HG1      GLU  64  45.934 -85.607  11.352
  526    H    SER  65           HN       SER  65  47.905 -82.292   8.182
  527    HA   SER  65           HA       SER  65  46.287 -79.896   7.860
  528   1HB   SER  65           HB2      SER  65  49.070 -80.673   6.985
  529   2HB   SER  65           HB1      SER  65  48.332 -79.131   6.565
  530    HG   SER  65           HG       SER  65  48.336 -78.559   8.671
  531    H    THR  66           HN       THR  66  45.589 -79.041   5.867
  532    HA   THR  66           HA       THR  66  45.306 -81.051   3.699
  533    HB   THR  66           HB       THR  66  43.570 -78.648   4.348
  534    HG1  THR  66           HG1      THR  66  43.638 -80.945   5.498
  535   1HG2  THR  66          HG21      THR  66  42.064 -79.839   2.646
  536   2HG2  THR  66          HG22      THR  66  43.500 -80.754   2.186
  537   3HG2  THR  66          HG23      THR  66  43.476 -79.000   2.002
  538    H    LEU  67           HN       LEU  67  46.299 -80.661   1.880
  539    HA   LEU  67           HA       LEU  67  47.394 -77.979   1.294
  540   1HB   LEU  67           HB2      LEU  67  48.275 -80.793   0.782
  541   2HB   LEU  67           HB1      LEU  67  48.583 -79.650  -0.522
  542    HG   LEU  67           HG       LEU  67  49.732 -78.177   1.086
  543   1HD1  LEU  67          HD11      LEU  67  49.410 -80.490   3.013
  544   2HD1  LEU  67          HD12      LEU  67  48.545 -78.958   3.132
  545   3HD1  LEU  67          HD13      LEU  67  50.296 -78.997   3.323
  546   1HD2  LEU  67          HD21      LEU  67  50.825 -80.989   1.094
  547   2HD2  LEU  67          HD22      LEU  67  51.756 -79.504   1.268
  548   3HD2  LEU  67          HD23      LEU  67  50.956 -79.871  -0.260
  549    H    HIS  68           HN       HIS  68  47.188 -77.242  -0.911
  550    HA   HIS  68           HA       HIS  68  44.810 -78.331  -2.302
  551   1HB   HIS  68           HB2      HIS  68  45.872 -75.497  -2.104
  552   2HB   HIS  68           HB1      HIS  68  44.612 -75.986  -3.232
  553    HD1  HIS  68           HD1      HIS  68  45.285 -75.439   0.416
  554    HD2  HIS  68           HD2      HIS  68  42.091 -76.562  -2.016
  555    HE1  HIS  68           HE1      HIS  68  43.215 -75.347   1.869
  556    H    LEU  69           HN       LEU  69  45.113 -79.001  -4.346
  557    HA   LEU  69           HA       LEU  69  47.760 -78.566  -5.598
  558   1HB   LEU  69           HB2      LEU  69  47.233 -80.917  -5.265
  559   2HB   LEU  69           HB1      LEU  69  45.651 -80.717  -5.985
  560    HG   LEU  69           HG       LEU  69  46.677 -80.208  -8.165
  561   1HD1  LEU  69          HD11      LEU  69  49.256 -80.644  -6.653
  562   2HD1  LEU  69          HD12      LEU  69  48.777 -79.204  -7.552
  563   3HD1  LEU  69          HD13      LEU  69  49.141 -80.697  -8.406
  564   1HD2  LEU  69          HD21      LEU  69  46.146 -82.549  -7.493
  565   2HD2  LEU  69          HD22      LEU  69  47.811 -82.730  -6.938
  566   3HD2  LEU  69          HD23      LEU  69  47.476 -82.451  -8.647
  567    H    VAL  70           HN       VAL  70  47.891 -77.423  -7.436
  568    HA   VAL  70           HA       VAL  70  45.452 -76.733  -8.924
  569    HB   VAL  70           HB       VAL  70  47.748 -75.112  -7.956
  570   1HG1  VAL  70          HG11      VAL  70  47.962 -74.703 -10.338
  571   2HG1  VAL  70          HG12      VAL  70  47.110 -73.320  -9.655
  572   3HG1  VAL  70          HG13      VAL  70  46.213 -74.571 -10.512
  573   1HG2  VAL  70          HG21      VAL  70  45.571 -75.039  -6.843
  574   2HG2  VAL  70          HG22      VAL  70  44.852 -74.431  -8.335
  575   3HG2  VAL  70          HG23      VAL  70  46.064 -73.473  -7.482
  576    H    LEU  71           HN       LEU  71  45.575 -76.890 -11.076
  577    HA   LEU  71           HA       LEU  71  47.913 -78.315 -12.192
  578   1HB   LEU  71           HB2      LEU  71  45.105 -78.057 -13.296
  579   2HB   LEU  71           HB1      LEU  71  46.389 -79.083 -13.931
  580    HG   LEU  71           HG       LEU  71  45.133 -79.322 -11.179
  581   1HD1  LEU  71          HD11      LEU  71  44.931 -81.074 -13.649
  582   2HD1  LEU  71          HD12      LEU  71  43.645 -80.063 -12.990
  583   3HD1  LEU  71          HD13      LEU  71  44.233 -81.449 -12.073
  584   1HD2  LEU  71          HD21      LEU  71  47.443 -80.713 -12.535
  585   2HD2  LEU  71          HD22      LEU  71  46.467 -81.587 -11.354
  586   3HD2  LEU  71          HD23      LEU  71  47.321 -80.122 -10.878
  587    H    ARG  72           HN       ARG  72  49.070 -77.523 -13.846
  588    HA   ARG  72           HA       ARG  72  48.260 -74.911 -15.016
  589   1HB   ARG  72           HB2      ARG  72  50.208 -74.678 -13.541
  590   2HB   ARG  72           HB1      ARG  72  51.043 -75.956 -14.424
  591   1HG   ARG  72           HG2      ARG  72  51.055 -74.617 -16.457
  592   2HG   ARG  72           HG1      ARG  72  50.071 -73.374 -15.684
  593   1HD   ARG  72           HD2      ARG  72  51.843 -72.826 -14.150
  594   2HD   ARG  72           HD1      ARG  72  52.791 -74.218 -14.664
  595    HE   ARG  72           HE       ARG  72  52.413 -72.732 -16.956
  596   1HH1  ARG  72          HH11      ARG  72  54.662 -73.050 -14.534
  597   2HH1  ARG  72          HH12      ARG  72  55.386 -71.488 -14.720
  598   1HH2  ARG  72          HH21      ARG  72  52.942 -70.321 -16.886
  599   2HH2  ARG  72          HH22      ARG  72  54.412 -69.942 -16.052
  600    H    LEU  73           HN       LEU  73  48.214 -74.781 -17.190
  601    HA   LEU  73           HA       LEU  73  49.270 -77.069 -18.768
  602   1HB   LEU  73           HB2      LEU  73  46.828 -75.366 -19.334
  603   2HB   LEU  73           HB1      LEU  73  47.439 -76.662 -20.359
  604    HG   LEU  73           HG       LEU  73  46.535 -77.017 -17.484
  605   1HD1  LEU  73          HD11      LEU  73  44.577 -76.549 -18.747
  606   2HD1  LEU  73          HD12      LEU  73  44.653 -78.310 -18.668
  607   3HD1  LEU  73          HD13      LEU  73  45.155 -77.470 -20.136
  608   1HD2  LEU  73          HD21      LEU  73  47.649 -78.865 -19.594
  609   2HD2  LEU  73          HD22      LEU  73  46.501 -79.495 -18.413
  610   3HD2  LEU  73          HD23      LEU  73  48.020 -78.790 -17.871
  611    H    ARG  74           HN       ARG  74  50.468 -76.613 -20.544
  612    HA   ARG  74           HA       ARG  74  50.880 -73.760 -21.261
  613   1HB   ARG  74           HB2      ARG  74  52.776 -74.568 -19.915
  614   2HB   ARG  74           HB1      ARG  74  52.994 -75.920 -21.024
  615   1HG   ARG  74           HG2      ARG  74  53.482 -74.376 -22.862
  616   2HG   ARG  74           HG1      ARG  74  53.177 -72.995 -21.807
  617   1HD   ARG  74           HD2      ARG  74  55.279 -75.091 -21.225
  618   2HD   ARG  74           HD1      ARG  74  55.622 -73.606 -22.109
  619    HE   ARG  74           HE       ARG  74  54.748 -72.425 -20.030
  620   1HH1  ARG  74          HH21      ARG  74  57.156 -74.760 -20.125
  621   2HH1  ARG  74          HH22      ARG  74  57.258 -74.996 -18.412
  622   1HH2  ARG  74          HH11      ARG  74  54.447 -73.086 -17.716
  623   2HH2  ARG  74          HH12      ARG  74  55.724 -74.046 -17.047
  624    H    GLY  75           HN       GLY  75  50.644 -73.343 -23.356
  625   1HA   GLY  75           HA2      GLY  75  50.235 -75.570 -25.230
  626   2HA   GLY  75           HA1      GLY  75  49.799 -73.886 -25.497
  627    H    GLY  76           HN       GLY  76  50.946 -74.781 -27.596
  628   1HA   GLY  76           HA2      GLY  76  53.739 -75.027 -27.720
  629   2HA   GLY  76           HA1      GLY  76  52.706 -74.521 -29.054
  Start of MODEL    6
    1   1H    MET   1           HT1      MET   1  54.709 -88.639   9.558
    2   2H    MET   1           HT2      MET   1  54.286 -88.985   7.948
    3   3H    MET   1           HT3      MET   1  54.016 -90.137   9.167
    4    HA   MET   1           HA       MET   1  52.148 -89.156   9.914
    5   1HB   MET   1           HB2      MET   1  51.808 -86.696   9.830
    6   2HB   MET   1           HB1      MET   1  53.308 -87.126  10.647
    7   1HG   MET   1           HG2      MET   1  54.517 -86.762   8.475
    8   2HG   MET   1           HG1      MET   1  53.010 -86.148   7.795
    9   1HE   MET   1           HE1      MET   1  54.477 -83.913   7.226
   10   2HE   MET   1           HE2      MET   1  53.796 -82.605   8.190
   11   3HE   MET   1           HE3      MET   1  52.734 -83.838   7.515
   12    H    GLN   2           HN       GLN   2  50.161 -88.690   8.888
   13    HA   GLN   2           HA       GLN   2  50.239 -89.004   5.963
   14   1HB   GLN   2           HB2      GLN   2  48.054 -89.394   8.015
   15   2HB   GLN   2           HB1      GLN   2  47.779 -89.501   6.276
   16   1HG   GLN   2           HG2      GLN   2  49.459 -91.288   6.105
   17   2HG   GLN   2           HG1      GLN   2  49.771 -91.171   7.837
   18   1HE2  GLN   2          HE21      GLN   2  48.399 -93.294   5.913
   19   2HE2  GLN   2          HE22      GLN   2  47.013 -93.725   6.793
   20    H    ILE   3           HN       ILE   3  49.336 -87.565   4.577
   21    HA   ILE   3           HA       ILE   3  48.011 -85.157   5.649
   22    HB   ILE   3           HB       ILE   3  49.196 -83.735   4.120
   23   1HG1  ILE   3          HG12      ILE   3  50.949 -86.077   3.324
   24   2HG1  ILE   3          HG11      ILE   3  49.563 -85.583   2.353
   25   1HG2  ILE   3          HG21      ILE   3  51.504 -83.963   5.061
   26   2HG2  ILE   3          HG22      ILE   3  51.037 -85.529   5.724
   27   3HG2  ILE   3          HG23      ILE   3  50.237 -84.061   6.284
   28   1HD1  ILE   3          HD11      ILE   3  51.568 -84.481   1.505
   29   2HD1  ILE   3          HD12      ILE   3  51.921 -83.840   3.110
   30   3HD1  ILE   3          HD13      ILE   3  50.499 -83.280   2.232
   31    H    PHE   4           HN       PHE   4  46.840 -83.976   3.844
   32    HA   PHE   4           HA       PHE   4  45.710 -85.916   1.910
   33   1HB   PHE   4           HB2      PHE   4  44.241 -83.820   3.524
   34   2HB   PHE   4           HB1      PHE   4  43.524 -84.804   2.262
   35    HD1  PHE   4           HD1      PHE   4  43.467 -87.317   2.524
   36    HD2  PHE   4           HD2      PHE   4  44.591 -84.683   5.726
   37    HE1  PHE   4           HE1      PHE   4  43.079 -89.140   4.159
   38    HE2  PHE   4           HE2      PHE   4  44.205 -86.509   7.360
   39    HZ   PHE   4           HZ       PHE   4  43.449 -88.736   6.576
   40    H    VAL   5           HN       VAL   5  45.420 -85.192  -0.152
   41    HA   VAL   5           HA       VAL   5  45.944 -82.315  -0.694
   42    HB   VAL   5           HB       VAL   5  46.646 -84.649  -2.500
   43   1HG1  VAL   5          HG11      VAL   5  47.097 -81.647  -2.692
   44   2HG1  VAL   5          HG12      VAL   5  46.052 -82.613  -3.735
   45   3HG1  VAL   5          HG13      VAL   5  47.801 -82.832  -3.792
   46   1HG2  VAL   5          HG21      VAL   5  48.931 -84.270  -1.907
   47   2HG2  VAL   5          HG22      VAL   5  48.065 -84.282  -0.371
   48   3HG2  VAL   5          HG23      VAL   5  48.550 -82.748  -1.097
   49    H    LYS   6           HN       LYS   6  44.238 -81.311  -1.590
   50    HA   LYS   6           HA       LYS   6  42.062 -82.960  -2.729
   51   1HB   LYS   6           HB2      LYS   6  42.164 -80.498  -1.135
   52   2HB   LYS   6           HB1      LYS   6  41.171 -80.284  -2.574
   53   1HG   LYS   6           HG2      LYS   6  39.704 -82.044  -1.962
   54   2HG   LYS   6           HG1      LYS   6  40.839 -82.700  -0.786
   55   1HD   LYS   6           HD2      LYS   6  38.868 -81.414   0.175
   56   2HD   LYS   6           HD1      LYS   6  40.449 -80.918   0.742
   57   1HE   LYS   6           HE2      LYS   6  40.445 -78.962  -0.617
   58   2HE   LYS   6           HE1      LYS   6  39.133 -79.572  -1.626
   59   1HZ   LYS   6           HZ1      LYS   6  37.822 -79.564   0.578
   60   2HZ   LYS   6           HZ2      LYS   6  38.061 -78.096  -0.243
   61   3HZ   LYS   6           HZ3      LYS   6  39.017 -78.483   1.108
   62    H    THR   7           HN       THR   7  41.376 -82.721  -4.806
   63    HA   THR   7           HA       THR   7  43.094 -81.090  -6.557
   64    HB   THR   7           HB       THR   7  42.463 -82.530  -8.359
   65    HG1  THR   7           HG1      THR   7  40.885 -84.099  -8.100
   66   1HG2  THR   7          HG21      THR   7  42.850 -84.330  -5.970
   67   2HG2  THR   7          HG22      THR   7  44.145 -83.383  -6.704
   68   3HG2  THR   7          HG23      THR   7  43.327 -84.635  -7.640
   69    H    LEU   8           HN       LEU   8  42.085 -80.157  -8.425
   70    HA   LEU   8           HA       LEU   8  39.951 -78.412  -7.731
   71   1HB   LEU   8           HB2      LEU   8  41.016 -79.136 -10.468
   72   2HB   LEU   8           HB1      LEU   8  39.951 -77.775 -10.121
   73    HG   LEU   8           HG       LEU   8  42.665 -78.193  -8.867
   74   1HD1  LEU   8          HD11      LEU   8  42.999 -77.746 -11.201
   75   2HD1  LEU   8          HD12      LEU   8  43.294 -76.231 -10.348
   76   3HD1  LEU   8          HD13      LEU   8  41.768 -76.484 -11.195
   77   1HD2  LEU   8          HD21      LEU   8  41.555 -76.793  -7.362
   78   2HD2  LEU   8          HD22      LEU   8  40.523 -76.094  -8.610
   79   3HD2  LEU   8          HD23      LEU   8  42.208 -75.597  -8.477
   80    H    THR   9           HN       THR   9  39.877 -81.669  -8.817
   81    HA   THR   9           HA       THR   9  37.127 -81.371  -9.825
   82    HB   THR   9           HB       THR   9  37.333 -83.629 -10.683
   83    HG1  THR   9           HG1      THR   9  39.873 -84.162 -10.172
   84   1HG2  THR   9          HG21      THR   9  38.320 -81.902 -12.088
   85   2HG2  THR   9          HG22      THR   9  39.339 -83.340 -12.160
   86   3HG2  THR   9          HG23      THR   9  39.823 -81.966 -11.166
   87    H    GLY  10           HN       GLY  10  38.368 -81.587  -6.907
   88   1HA   GLY  10           HA2      GLY  10  37.142 -81.859  -4.948
   89   2HA   GLY  10           HA1      GLY  10  35.897 -82.691  -5.862
   90    H    LYS  11           HN       LYS  11  39.066 -83.888  -6.391
   91    HA   LYS  11           HA       LYS  11  38.360 -86.319  -4.922
   92   1HB   LYS  11           HB2      LYS  11  39.304 -86.380  -7.275
   93   2HB   LYS  11           HB1      LYS  11  40.831 -85.841  -6.593
   94   1HG   LYS  11           HG2      LYS  11  40.877 -87.802  -5.099
   95   2HG   LYS  11           HG1      LYS  11  39.343 -88.353  -5.773
   96   1HD   LYS  11           HD2      LYS  11  40.387 -88.489  -8.017
   97   2HD   LYS  11           HD1      LYS  11  41.926 -87.981  -7.321
   98   1HE   LYS  11           HE2      LYS  11  41.788 -90.451  -7.570
   99   2HE   LYS  11           HE1      LYS  11  41.962 -89.964  -5.884
  100   1HZ   LYS  11           HZ1      LYS  11  39.899 -90.654  -5.377
  101   2HZ   LYS  11           HZ2      LYS  11  40.084 -91.637  -6.750
  102   3HZ   LYS  11           HZ3      LYS  11  39.239 -90.167  -6.861
  103    H    THR  12           HN       THR  12  39.614 -87.125  -3.159
  104    HA   THR  12           HA       THR  12  41.714 -85.279  -2.137
  105    HB   THR  12           HB       THR  12  39.850 -87.053  -0.521
  106    HG1  THR  12           HG1      THR  12  39.783 -84.442  -1.385
  107   1HG2  THR  12          HG21      THR  12  42.027 -86.859   0.540
  108   2HG2  THR  12          HG22      THR  12  40.904 -85.801   1.392
  109   3HG2  THR  12          HG23      THR  12  42.060 -85.120   0.248
  110    H    ILE  13           HN       ILE  13  43.702 -86.135  -2.005
  111    HA   ILE  13           HA       ILE  13  43.973 -89.092  -2.136
  112    HB   ILE  13           HB       ILE  13  46.189 -87.136  -2.790
  113   1HG1  ILE  13          HG12      ILE  13  44.011 -88.194  -4.617
  114   2HG1  ILE  13          HG11      ILE  13  44.377 -86.507  -4.261
  115   1HG2  ILE  13          HG21      ILE  13  47.169 -89.004  -3.893
  116   2HG2  ILE  13          HG22      ILE  13  45.654 -89.907  -3.880
  117   3HG2  ILE  13          HG23      ILE  13  46.540 -89.650  -2.377
  118   1HD1  ILE  13          HD11      ILE  13  45.407 -86.840  -6.344
  119   2HD1  ILE  13          HD12      ILE  13  45.956 -88.461  -5.918
  120   3HD1  ILE  13          HD13      ILE  13  46.739 -87.050  -5.206
  121    H    THR  14           HN       THR  14  45.117 -90.145  -0.587
  122    HA   THR  14           HA       THR  14  46.098 -88.530   1.679
  123    HB   THR  14           HB       THR  14  45.426 -91.485   1.519
  124    HG1  THR  14           HG1      THR  14  44.024 -89.185   2.188
  125   1HG2  THR  14          HG21      THR  14  47.084 -91.202   3.200
  126   2HG2  THR  14          HG22      THR  14  45.546 -91.200   4.063
  127   3HG2  THR  14          HG23      THR  14  46.380 -89.679   3.744
  128    H    LEU  15           HN       LEU  15  48.242 -88.473   2.109
  129    HA   LEU  15           HA       LEU  15  50.005 -90.402   0.694
  130   1HB   LEU  15           HB2      LEU  15  50.506 -87.456   1.171
  131   2HB   LEU  15           HB1      LEU  15  51.639 -88.583   0.431
  132    HG   LEU  15           HG       LEU  15  48.871 -87.977  -0.656
  133   1HD1  LEU  15          HD11      LEU  15  49.940 -86.576  -2.287
  134   2HD1  LEU  15          HD12      LEU  15  51.545 -87.062  -1.743
  135   3HD1  LEU  15          HD13      LEU  15  50.530 -86.056  -0.709
  136   1HD2  LEU  15          HD21      LEU  15  51.164 -89.733  -1.536
  137   2HD2  LEU  15          HD22      LEU  15  50.103 -89.020  -2.749
  138   3HD2  LEU  15          HD23      LEU  15  49.436 -90.087  -1.519
  139    H    GLU  16           HN       GLU  16  51.862 -91.052   1.783
  140    HA   GLU  16           HA       GLU  16  51.904 -90.458   4.684
  141   1HB   GLU  16           HB2      GLU  16  51.787 -92.902   3.863
  142   2HB   GLU  16           HB1      GLU  16  53.428 -92.669   3.264
  143   1HG   GLU  16           HG2      GLU  16  52.643 -92.118   6.135
  144   2HG   GLU  16           HG1      GLU  16  53.239 -93.683   5.592
  145    H    VAL  17           HN       VAL  17  53.420 -89.045   5.312
  146    HA   VAL  17           HA       VAL  17  55.919 -88.788   3.754
  147    HB   VAL  17           HB       VAL  17  55.701 -86.325   3.852
  148   1HG1  VAL  17          HG11      VAL  17  54.953 -87.622   1.847
  149   2HG1  VAL  17          HG12      VAL  17  54.066 -86.114   2.062
  150   3HG1  VAL  17          HG13      VAL  17  53.322 -87.647   2.516
  151   1HG2  VAL  17          HG21      VAL  17  53.401 -85.424   4.362
  152   2HG2  VAL  17          HG22      VAL  17  54.229 -86.102   5.763
  153   3HG2  VAL  17          HG23      VAL  17  52.964 -87.026   4.954
  154    H    GLU  18           HN       GLU  18  57.459 -87.332   4.864
  155    HA   GLU  18           HA       GLU  18  57.262 -87.530   7.810
  156   1HB   GLU  18           HB2      GLU  18  59.782 -87.646   6.099
  157   2HB   GLU  18           HB1      GLU  18  59.733 -87.641   7.848
  158   1HG   GLU  18           HG2      GLU  18  59.919 -89.946   7.155
  159   2HG   GLU  18           HG1      GLU  18  58.232 -89.705   7.680
  160    HA   PRO  19           HA       PRO  19  57.298 -83.108   7.626
  161   1HB   PRO  19           HB2      PRO  19  59.305 -82.971   9.833
  162   2HB   PRO  19           HB1      PRO  19  57.684 -82.248   9.727
  163   1HG   PRO  19           HG2      PRO  19  58.157 -84.407  11.268
  164   2HG   PRO  19           HG1      PRO  19  56.630 -84.178  10.401
  165   1HD   PRO  19           HD2      PRO  19  58.917 -86.015   9.698
  166   2HD   PRO  19           HD1      PRO  19  57.155 -86.249   9.532
  167    H    SER  20           HN       SER  20  60.316 -84.860   7.553
  168    HA   SER  20           HA       SER  20  61.853 -82.578   6.613
  169   1HB   SER  20           HB2      SER  20  62.690 -84.543   8.066
  170   2HB   SER  20           HB1      SER  20  62.833 -85.412   6.540
  171    HG   SER  20           HG       SER  20  64.749 -84.288   7.057
  172    H    ASP  21           HN       ASP  21  59.616 -84.495   5.053
  173    HA   ASP  21           HA       ASP  21  61.054 -85.088   2.641
  174   1HB   ASP  21           HB2      ASP  21  58.123 -84.901   3.343
  175   2HB   ASP  21           HB1      ASP  21  58.642 -85.122   1.675
  176    H    THR  22           HN       THR  22  61.164 -83.913   0.788
  177    HA   THR  22           HA       THR  22  60.803 -81.042   1.024
  178    HB   THR  22           HB       THR  22  61.889 -80.912  -1.135
  179    HG1  THR  22           HG1      THR  22  62.737 -82.985  -1.932
  180   1HG2  THR  22          HG21      THR  22  63.220 -82.606   0.967
  181   2HG2  THR  22          HG22      THR  22  63.434 -80.885   0.644
  182   3HG2  THR  22          HG23      THR  22  64.077 -82.081  -0.482
  183    H    ILE  23           HN       ILE  23  59.680 -79.830  -0.568
  184    HA   ILE  23           HA       ILE  23  57.075 -80.770  -1.161
  185    HB   ILE  23           HB       ILE  23  58.686 -78.472  -2.247
  186   1HG1  ILE  23          HG12      ILE  23  58.304 -78.345   0.135
  187   2HG1  ILE  23          HG11      ILE  23  57.357 -77.116  -0.671
  188   1HG2  ILE  23          HG21      ILE  23  56.421 -77.531  -2.873
  189   2HG2  ILE  23          HG22      ILE  23  55.772 -79.149  -2.605
  190   3HG2  ILE  23          HG23      ILE  23  56.981 -78.880  -3.861
  191   1HD1  ILE  23          HD11      ILE  23  55.475 -78.988  -0.631
  192   2HD1  ILE  23          HD12      ILE  23  55.777 -77.975   0.779
  193   3HD1  ILE  23          HD13      ILE  23  56.445 -79.600   0.705
  194    H    GLU  24           HN       GLU  24  60.045 -80.614  -3.096
  195    HA   GLU  24           HA       GLU  24  58.914 -81.420  -5.556
  196   1HB   GLU  24           HB2      GLU  24  61.227 -80.547  -5.368
  197   2HB   GLU  24           HB1      GLU  24  61.694 -81.983  -4.464
  198   1HG   GLU  24           HG2      GLU  24  61.168 -83.403  -6.390
  199   2HG   GLU  24           HG1      GLU  24  60.612 -81.996  -7.296
  200    H    ASN  25           HN       ASN  25  60.075 -83.210  -2.742
  201    HA   ASN  25           HA       ASN  25  59.851 -85.795  -3.921
  202   1HB   ASN  25           HB2      ASN  25  61.122 -85.255  -1.805
  203   2HB   ASN  25           HB1      ASN  25  59.567 -85.129  -0.983
  204   1HD2  ASN  25          HD21      ASN  25  58.804 -87.045  -0.102
  205   2HD2  ASN  25          HD22      ASN  25  59.298 -88.599  -0.571
  206    H    VAL  26           HN       VAL  26  57.612 -83.806  -2.006
  207    HA   VAL  26           HA       VAL  26  55.515 -85.727  -1.884
  208    HB   VAL  26           HB       VAL  26  55.427 -82.692  -1.846
  209   1HG1  VAL  26          HG11      VAL  26  53.253 -83.395  -2.508
  210   2HG1  VAL  26          HG12      VAL  26  53.147 -83.123  -0.769
  211   3HG1  VAL  26          HG13      VAL  26  53.275 -84.765  -1.398
  212   1HG2  VAL  26          HG21      VAL  26  56.627 -83.990   0.019
  213   2HG2  VAL  26          HG22      VAL  26  55.033 -84.603   0.460
  214   3HG2  VAL  26          HG23      VAL  26  55.360 -82.872   0.519
  215    H    LYS  27           HN       LYS  27  56.274 -83.235  -4.319
  216    HA   LYS  27           HA       LYS  27  54.013 -83.636  -5.944
  217   1HB   LYS  27           HB2      LYS  27  56.850 -82.907  -6.720
  218   2HB   LYS  27           HB1      LYS  27  55.466 -82.853  -7.801
  219   1HG   LYS  27           HG2      LYS  27  54.509 -81.278  -5.765
  220   2HG   LYS  27           HG1      LYS  27  56.258 -80.928  -5.659
  221   1HD   LYS  27           HD2      LYS  27  56.105 -80.652  -8.236
  222   2HD   LYS  27           HD1      LYS  27  54.383 -80.454  -7.934
  223   1HE   LYS  27           HE2      LYS  27  56.582 -78.838  -6.616
  224   2HE   LYS  27           HE1      LYS  27  55.558 -78.277  -7.937
  225   1HZ   LYS  27           HZ1      LYS  27  54.313 -79.322  -5.488
  226   2HZ   LYS  27           HZ2      LYS  27  53.714 -78.185  -6.599
  227   3HZ   LYS  27           HZ3      LYS  27  54.926 -77.741  -5.494
  228    H    ALA  28           HN       ALA  28  57.162 -85.250  -5.778
  229    HA   ALA  28           HA       ALA  28  56.871 -86.860  -8.068
  230   1HB   ALA  28           HB1      ALA  28  58.508 -87.313  -5.565
  231   2HB   ALA  28           HB2      ALA  28  59.052 -86.564  -7.067
  232   3HB   ALA  28           HB3      ALA  28  58.644 -88.279  -7.034
  233    H    LYS  29           HN       LYS  29  55.894 -87.340  -4.715
  234    HA   LYS  29           HA       LYS  29  55.088 -90.053  -4.999
  235   1HB   LYS  29           HB2      LYS  29  54.233 -87.878  -3.073
  236   2HB   LYS  29           HB1      LYS  29  53.667 -89.543  -2.967
  237   1HG   LYS  29           HG2      LYS  29  55.997 -90.330  -2.766
  238   2HG   LYS  29           HG1      LYS  29  56.569 -88.664  -2.875
  239   1HD   LYS  29           HD2      LYS  29  55.340 -88.083  -0.833
  240   2HD   LYS  29           HD1      LYS  29  54.703 -89.723  -0.730
  241   1HE   LYS  29           HE2      LYS  29  57.676 -89.503  -0.899
  242   2HE   LYS  29           HE1      LYS  29  56.937 -88.933   0.597
  243   1HZ   LYS  29           HZ1      LYS  29  57.402 -91.560  -0.182
  244   2HZ   LYS  29           HZ2      LYS  29  55.717 -91.344  -0.175
  245   3HZ   LYS  29           HZ3      LYS  29  56.625 -91.013   1.223
  246    H    ILE  30           HN       ILE  30  53.431 -86.955  -5.467
  247    HA   ILE  30           HA       ILE  30  50.832 -88.026  -6.027
  248    HB   ILE  30           HB       ILE  30  52.150 -85.397  -6.737
  249   1HG1  ILE  30          HG12      ILE  30  50.033 -86.245  -4.726
  250   2HG1  ILE  30          HG11      ILE  30  51.708 -85.828  -4.356
  251   1HG2  ILE  30          HG21      ILE  30  49.338 -86.428  -7.254
  252   2HG2  ILE  30          HG22      ILE  30  50.478 -85.800  -8.443
  253   3HG2  ILE  30          HG23      ILE  30  49.742 -84.713  -7.273
  254   1HD1  ILE  30          HD11      ILE  30  50.641 -83.819  -3.888
  255   2HD1  ILE  30          HD12      ILE  30  49.429 -84.052  -5.149
  256   3HD1  ILE  30          HD13      ILE  30  51.071 -83.564  -5.580
  257    H    GLN  31           HN       GLN  31  53.665 -87.321  -8.078
  258    HA   GLN  31           HA       GLN  31  52.442 -87.761 -10.568
  259   1HB   GLN  31           HB2      GLN  31  54.717 -86.825 -10.313
  260   2HB   GLN  31           HB1      GLN  31  55.279 -88.363  -9.659
  261   1HG   GLN  31           HG2      GLN  31  54.734 -89.465 -11.814
  262   2HG   GLN  31           HG1      GLN  31  54.168 -87.923 -12.452
  263   1HE2  GLN  31          HE21      GLN  31  56.736 -87.193 -10.441
  264   2HE2  GLN  31          HE22      GLN  31  57.986 -87.204 -11.589
  265    H    ASP  32           HN       ASP  32  54.062 -89.934  -8.323
  266    HA   ASP  32           HA       ASP  32  53.954 -92.285  -9.855
  267   1HB   ASP  32           HB2      ASP  32  53.877 -91.851  -6.873
  268   2HB   ASP  32           HB1      ASP  32  54.039 -93.448  -7.622
  269    H    LYS  33           HN       LYS  33  51.605 -90.895  -7.596
  270    HA   LYS  33           HA       LYS  33  49.783 -93.115  -7.839
  271   1HB   LYS  33           HB2      LYS  33  49.321 -90.388  -6.652
  272   2HB   LYS  33           HB1      LYS  33  48.344 -91.820  -6.360
  273   1HG   LYS  33           HG2      LYS  33  50.938 -92.675  -5.693
  274   2HG   LYS  33           HG1      LYS  33  50.869 -91.028  -5.076
  275   1HD   LYS  33           HD2      LYS  33  48.698 -91.615  -3.948
  276   2HD   LYS  33           HD1      LYS  33  48.970 -93.290  -4.431
  277   1HE   LYS  33           HE2      LYS  33  51.005 -93.408  -3.145
  278   2HE   LYS  33           HE1      LYS  33  50.965 -91.675  -2.825
  279   1HZ   LYS  33           HZ1      LYS  33  49.716 -93.759  -1.400
  280   2HZ   LYS  33           HZ2      LYS  33  48.525 -92.708  -2.005
  281   3HZ   LYS  33           HZ3      LYS  33  49.777 -92.106  -1.026
  282    H    GLU  34           HN       GLU  34  49.769 -89.778  -9.145
  283    HA   GLU  34           HA       GLU  34  47.217 -90.426 -10.512
  284   1HB   GLU  34           HB2      GLU  34  48.481 -87.825  -9.692
  285   2HB   GLU  34           HB1      GLU  34  47.009 -87.938 -10.660
  286   1HG   GLU  34           HG2      GLU  34  47.414 -89.339  -8.024
  287   2HG   GLU  34           HG1      GLU  34  46.653 -87.733  -8.115
  288    H    GLY  35           HN       GLY  35  50.506 -89.871 -11.329
  289   1HA   GLY  35           HA2      GLY  35  51.454 -90.071 -13.431
  290   2HA   GLY  35           HA1      GLY  35  49.844 -90.101 -14.144
  291    H    ILE  36           HN       ILE  36  50.245 -87.481 -12.057
  292    HA   ILE  36           HA       ILE  36  50.228 -85.603 -14.283
  293    HB   ILE  36           HB       ILE  36  50.240 -85.026 -11.322
  294   1HG1  ILE  36          HG12      ILE  36  47.724 -85.111 -12.998
  295   2HG1  ILE  36          HG11      ILE  36  48.341 -86.603 -12.300
  296   1HG2  ILE  36          HG21      ILE  36  50.706 -83.172 -13.031
  297   2HG2  ILE  36          HG22      ILE  36  49.333 -82.894 -11.961
  298   3HG2  ILE  36          HG23      ILE  36  49.064 -83.429 -13.613
  299   1HD1  ILE  36          HD11      ILE  36  47.631 -84.086 -10.773
  300   2HD1  ILE  36          HD12      ILE  36  48.344 -85.527 -10.054
  301   3HD1  ILE  36          HD13      ILE  36  46.733 -85.603 -10.766
  302    HA   PRO  37           HA       PRO  37  54.743 -85.359 -13.829
  303   1HB   PRO  37           HB2      PRO  37  54.563 -82.994 -15.636
  304   2HB   PRO  37           HB1      PRO  37  55.540 -84.464 -15.815
  305   1HG   PRO  37           HG2      PRO  37  53.354 -84.026 -17.311
  306   2HG   PRO  37           HG1      PRO  37  53.824 -85.650 -16.779
  307   1HD   PRO  37           HD2      PRO  37  51.631 -83.892 -15.706
  308   2HD   PRO  37           HD1      PRO  37  51.692 -85.662 -15.909
  309    HA   PRO  38           HA       PRO  38  54.904 -82.403 -10.442
  310   1HB   PRO  38           HB2      PRO  38  57.825 -82.273 -11.199
  311   2HB   PRO  38           HB1      PRO  38  57.103 -82.513  -9.598
  312   1HG   PRO  38           HG2      PRO  38  58.165 -84.543 -10.940
  313   2HG   PRO  38           HG1      PRO  38  56.692 -84.749  -9.970
  314   1HD   PRO  38           HD2      PRO  38  56.978 -84.635 -12.948
  315   2HD   PRO  38           HD1      PRO  38  55.794 -85.499 -11.938
  316    H    ASP  39           HN       ASP  39  56.382 -81.576 -13.558
  317    HA   ASP  39           HA       ASP  39  56.754 -78.837 -12.866
  318   1HB   ASP  39           HB2      ASP  39  57.332 -78.488 -15.165
  319   2HB   ASP  39           HB1      ASP  39  57.958 -80.071 -14.709
  320    H    GLN  40           HN       GLN  40  53.988 -80.643 -13.710
  321    HA   GLN  40           HA       GLN  40  52.505 -78.252 -14.604
  322   1HB   GLN  40           HB2      GLN  40  51.807 -81.196 -14.663
  323   2HB   GLN  40           HB1      GLN  40  50.691 -79.911 -15.122
  324   1HG   GLN  40           HG2      GLN  40  52.395 -79.117 -16.778
  325   2HG   GLN  40           HG1      GLN  40  53.356 -80.547 -16.410
  326   1HE2  GLN  40          HE21      GLN  40  50.574 -81.969 -15.995
  327   2HE2  GLN  40          HE22      GLN  40  50.131 -82.376 -17.583
  328    H    GLN  41           HN       GLN  41  53.254 -79.709 -11.773
  329    HA   GLN  41           HA       GLN  41  50.590 -79.336 -10.548
  330   1HB   GLN  41           HB2      GLN  41  53.058 -80.843  -9.737
  331   2HB   GLN  41           HB1      GLN  41  51.738 -80.558  -8.607
  332   1HG   GLN  41           HG2      GLN  41  50.190 -81.627 -10.256
  333   2HG   GLN  41           HG1      GLN  41  51.596 -82.010 -11.256
  334   1HE2  GLN  41          HE21      GLN  41  52.364 -84.080 -10.918
  335   2HE2  GLN  41          HE22      GLN  41  52.277 -84.922  -9.446
  336    H    ARG  42           HN       ARG  42  50.183 -77.933  -8.980
  337    HA   ARG  42           HA       ARG  42  52.374 -76.338  -7.796
  338   1HB   ARG  42           HB2      ARG  42  49.750 -75.400  -8.925
  339   2HB   ARG  42           HB1      ARG  42  50.569 -74.473  -7.667
  340   1HG   ARG  42           HG2      ARG  42  52.521 -74.218  -9.070
  341   2HG   ARG  42           HG1      ARG  42  51.854 -75.322 -10.272
  342   1HD   ARG  42           HD2      ARG  42  50.067 -73.779 -10.790
  343   2HD   ARG  42           HD1      ARG  42  50.539 -72.719  -9.465
  344    HE   ARG  42           HE       ARG  42  51.888 -71.729 -11.064
  345   1HH1  ARG  42          HH21      ARG  42  51.178 -74.780 -12.317
  346   2HH1  ARG  42          HH22      ARG  42  52.655 -74.959 -13.204
  347   1HH2  ARG  42          HH11      ARG  42  54.119 -72.120 -11.855
  348   2HH2  ARG  42          HH12      ARG  42  54.320 -73.452 -12.943
  349    H    LEU  43           HN       LEU  43  52.417 -76.602  -5.637
  350    HA   LEU  43           HA       LEU  43  49.999 -77.606  -4.263
  351   1HB   LEU  43           HB2      LEU  43  52.953 -77.769  -3.604
  352   2HB   LEU  43           HB1      LEU  43  51.674 -78.172  -2.461
  353    HG   LEU  43           HG       LEU  43  51.951 -79.480  -5.192
  354   1HD1  LEU  43          HD11      LEU  43  52.918 -80.398  -2.462
  355   2HD1  LEU  43          HD12      LEU  43  53.936 -79.972  -3.838
  356   3HD1  LEU  43          HD13      LEU  43  52.906 -81.402  -3.912
  357   1HD2  LEU  43          HD21      LEU  43  50.251 -79.967  -2.730
  358   2HD2  LEU  43          HD22      LEU  43  50.588 -81.274  -3.862
  359   3HD2  LEU  43          HD23      LEU  43  49.732 -79.841  -4.406
  360    H    ILE  44           HN       ILE  44  48.967 -76.405  -2.862
  361    HA   ILE  44           HA       ILE  44  50.241 -73.932  -1.826
  362    HB   ILE  44           HB       ILE  44  47.367 -74.249  -2.690
  363   1HG1  ILE  44          HG12      ILE  44  49.873 -73.381  -4.124
  364   2HG1  ILE  44          HG11      ILE  44  48.505 -74.308  -4.730
  365   1HG2  ILE  44          HG21      ILE  44  48.960 -71.746  -2.062
  366   2HG2  ILE  44          HG22      ILE  44  47.938 -72.558  -0.875
  367   3HG2  ILE  44          HG23      ILE  44  47.221 -71.872  -2.328
  368   1HD1  ILE  44          HD11      ILE  44  47.172 -72.092  -4.394
  369   2HD1  ILE  44          HD12      ILE  44  48.246 -72.234  -5.785
  370   3HD1  ILE  44          HD13      ILE  44  48.766 -71.341  -4.356
  371    H    PHE  45           HN       PHE  45  49.949 -73.482   0.275
  372    HA   PHE  45           HA       PHE  45  47.996 -75.031   1.845
  373   1HB   PHE  45           HB2      PHE  45  50.079 -76.225   2.175
  374   2HB   PHE  45           HB1      PHE  45  50.929 -74.724   2.523
  375    HD1  PHE  45           HD1      PHE  45  50.622 -73.548   4.637
  376    HD2  PHE  45           HD2      PHE  45  48.496 -77.183   3.790
  377    HE1  PHE  45           HE1      PHE  45  49.981 -73.729   7.025
  378    HE2  PHE  45           HE2      PHE  45  47.855 -77.362   6.178
  379    HZ   PHE  45           HZ       PHE  45  48.596 -75.636   7.796
  380    H    ALA  46           HN       ALA  46  46.870 -73.800   3.175
  381    HA   ALA  46           HA       ALA  46  46.047 -71.914   4.155
  382   1HB   ALA  46           HB1      ALA  46  47.742 -70.784   5.669
  383   2HB   ALA  46           HB2      ALA  46  48.929 -71.918   5.026
  384   3HB   ALA  46           HB3      ALA  46  47.522 -72.518   5.904
  385    H    GLY  47           HN       GLY  47  46.611 -71.505   1.442
  386   1HA   GLY  47           HA2      GLY  47  46.388 -69.646   0.068
  387   2HA   GLY  47           HA1      GLY  47  46.719 -68.632   1.455
  388    H    LYS  48           HN       LYS  48  49.300 -70.774   1.321
  389    HA   LYS  48           HA       LYS  48  50.875 -68.834  -0.289
  390   1HB   LYS  48           HB2      LYS  48  51.874 -70.748   1.802
  391   2HB   LYS  48           HB1      LYS  48  52.789 -69.448   1.063
  392   1HG   LYS  48           HG2      LYS  48  51.232 -67.777   2.046
  393   2HG   LYS  48           HG1      LYS  48  50.341 -69.077   2.824
  394   1HD   LYS  48           HD2      LYS  48  53.309 -68.733   3.273
  395   2HD   LYS  48           HD1      LYS  48  52.135 -67.821   4.218
  396   1HE   LYS  48           HE2      LYS  48  51.045 -70.017   4.834
  397   2HE   LYS  48           HE1      LYS  48  52.398 -70.837   4.055
  398   1HZ   LYS  48           HZ1      LYS  48  53.897 -69.991   5.596
  399   2HZ   LYS  48           HZ2      LYS  48  52.549 -70.410   6.541
  400   3HZ   LYS  48           HZ3      LYS  48  52.832 -68.786   6.132
  401    H    GLN  49           HN       GLN  49  52.152 -69.531  -1.944
  402    HA   GLN  49           HA       GLN  49  51.753 -72.239  -2.910
  403   1HB   GLN  49           HB2      GLN  49  51.930 -70.082  -4.300
  404   2HB   GLN  49           HB1      GLN  49  53.671 -70.194  -4.044
  405   1HG   GLN  49           HG2      GLN  49  53.673 -72.474  -5.009
  406   2HG   GLN  49           HG1      GLN  49  51.937 -72.352  -5.293
  407   1HE2  GLN  49          HE21      GLN  49  51.294 -70.352  -6.703
  408   2HE2  GLN  49          HE22      GLN  49  52.336 -69.972  -7.988
  409    H    LEU  50           HN       LEU  50  53.099 -73.918  -2.522
  410    HA   LEU  50           HA       LEU  50  55.422 -73.491  -0.810
  411   1HB   LEU  50           HB2      LEU  50  54.338 -76.093  -1.904
  412   2HB   LEU  50           HB1      LEU  50  55.444 -75.867  -0.560
  413    HG   LEU  50           HG       LEU  50  52.617 -74.802  -0.664
  414   1HD1  LEU  50          HD11      LEU  50  53.648 -77.050   1.077
  415   2HD1  LEU  50          HD12      LEU  50  52.932 -77.349  -0.508
  416   3HD1  LEU  50          HD13      LEU  50  51.973 -76.595   0.766
  417   1HD2  LEU  50          HD21      LEU  50  53.161 -74.638   1.905
  418   2HD2  LEU  50          HD22      LEU  50  53.771 -73.391   0.824
  419   3HD2  LEU  50          HD23      LEU  50  54.837 -74.682   1.372
  420    H    GLU  51           HN       GLU  51  57.533 -73.689  -1.377
  421    HA   GLU  51           HA       GLU  51  58.123 -73.928  -4.232
  422   1HB   GLU  51           HB2      GLU  51  59.796 -73.067  -1.867
  423   2HB   GLU  51           HB1      GLU  51  60.443 -73.231  -3.501
  424   1HG   GLU  51           HG2      GLU  51  58.914 -71.600  -4.365
  425   2HG   GLU  51           HG1      GLU  51  58.049 -71.491  -2.836
  426    H    ASP  52           HN       ASP  52  59.657 -75.299  -5.133
  427    HA   ASP  52           HA       ASP  52  59.577 -77.948  -4.160
  428   1HB   ASP  52           HB2      ASP  52  61.123 -76.671  -6.407
  429   2HB   ASP  52           HB1      ASP  52  61.114 -78.397  -6.076
  430    H    GLY  53           HN       GLY  53  61.871 -75.441  -3.502
  431   1HA   GLY  53           HA2      GLY  53  63.942 -77.388  -2.717
  432   2HA   GLY  53           HA1      GLY  53  64.117 -75.640  -2.782
  433    H    ARG  54           HN       ARG  54  61.232 -76.355  -1.204
  434    HA   ARG  54           HA       ARG  54  62.543 -76.097   1.462
  435   1HB   ARG  54           HB2      ARG  54  59.798 -75.291   0.504
  436   2HB   ARG  54           HB1      ARG  54  60.381 -75.085   2.155
  437   1HG   ARG  54           HG2      ARG  54  61.910 -73.908  -0.179
  438   2HG   ARG  54           HG1      ARG  54  60.539 -73.088   0.411
  439   1HD   ARG  54           HD2      ARG  54  62.828 -73.943   2.218
  440   2HD   ARG  54           HD1      ARG  54  62.715 -72.356   1.472
  441    HE   ARG  54           HE       ARG  54  61.111 -73.344   3.693
  442   1HH1  ARG  54          HH21      ARG  54  62.431 -70.579   2.541
  443   2HH1  ARG  54          HH22      ARG  54  61.025 -69.577   2.676
  444   1HH2  ARG  54          HH11      ARG  54  58.870 -72.225   3.284
  445   2HH2  ARG  54          HH12      ARG  54  59.009 -70.508   3.097
  446    H    THR  55           HN       THR  55  61.304 -77.078   3.316
  447    HA   THR  55           HA       THR  55  60.169 -79.708   2.556
  448    HB   THR  55           HB       THR  55  60.725 -80.492   4.769
  449    HG1  THR  55           HG1      THR  55  60.980 -79.054   6.260
  450   1HG2  THR  55          HG21      THR  55  63.213 -79.112   3.791
  451   2HG2  THR  55          HG22      THR  55  62.454 -80.387   2.836
  452   3HG2  THR  55          HG23      THR  55  63.038 -80.734   4.466
  453    H    LEU  56           HN       LEU  56  58.604 -80.636   4.075
  454    HA   LEU  56           HA       LEU  56  56.282 -79.039   4.375
  455   1HB   LEU  56           HB2      LEU  56  57.010 -81.593   5.823
  456   2HB   LEU  56           HB1      LEU  56  55.400 -80.882   5.756
  457    HG   LEU  56           HG       LEU  56  56.984 -81.781   3.332
  458   1HD1  LEU  56          HD11      LEU  56  56.358 -83.660   4.819
  459   2HD1  LEU  56          HD12      LEU  56  55.472 -83.709   3.295
  460   3HD1  LEU  56          HD13      LEU  56  54.676 -83.132   4.760
  461   1HD2  LEU  56          HD21      LEU  56  55.381 -80.157   2.618
  462   2HD2  LEU  56          HD22      LEU  56  54.182 -80.712   3.774
  463   3HD2  LEU  56          HD23      LEU  56  54.567 -81.692   2.363
  464    H    SER  57           HN       SER  57  58.772 -79.936   6.804
  465    HA   SER  57           HA       SER  57  57.409 -78.805   8.964
  466   1HB   SER  57           HB2      SER  57  60.389 -79.149   8.588
  467   2HB   SER  57           HB1      SER  57  59.623 -78.680  10.099
  468    HG   SER  57           HG       SER  57  59.694 -80.822  10.267
  469    H    ASP  58           HN       ASP  58  59.395 -77.284   6.530
  470    HA   ASP  58           HA       ASP  58  59.879 -74.851   7.865
  471   1HB   ASP  58           HB2      ASP  58  59.588 -75.492   4.925
  472   2HB   ASP  58           HB1      ASP  58  60.068 -73.915   5.512
  473    H    TYR  59           HN       TYR  59  57.013 -76.089   6.277
  474    HA   TYR  59           HA       TYR  59  55.680 -73.462   6.493
  475   1HB   TYR  59           HB2      TYR  59  54.910 -76.012   5.057
  476   2HB   TYR  59           HB1      TYR  59  53.831 -74.626   5.218
  477    HD1  TYR  59           HD1      TYR  59  56.911 -75.905   3.692
  478    HD2  TYR  59           HD2      TYR  59  54.313 -72.512   4.091
  479    HE1  TYR  59           HE1      TYR  59  58.029 -74.818   1.782
  480    HE2  TYR  59           HE2      TYR  59  55.441 -71.419   2.171
  481    HH   TYR  59           HH       TYR  59  57.746 -73.131   0.185
  482    H    ASN  60           HN       ASN  60  56.262 -75.617   8.670
  483    HA   ASN  60           HA       ASN  60  55.264 -76.503  10.497
  484   1HB   ASN  60           HB2      ASN  60  53.487 -74.088  10.112
  485   2HB   ASN  60           HB1      ASN  60  53.566 -75.061  11.579
  486   1HD2  ASN  60          HD21      ASN  60  56.183 -75.446  12.114
  487   2HD2  ASN  60          HD22      ASN  60  57.036 -73.980  12.202
  488    H    ILE  61           HN       ILE  61  54.409 -77.738   8.120
  489    HA   ILE  61           HA       ILE  61  51.517 -78.068   8.300
  490    HB   ILE  61           HB       ILE  61  53.635 -79.446   6.613
  491   1HG1  ILE  61          HG12      ILE  61  51.482 -77.446   5.868
  492   2HG1  ILE  61          HG11      ILE  61  53.147 -76.999   6.218
  493   1HG2  ILE  61          HG21      ILE  61  50.615 -79.589   6.409
  494   2HG2  ILE  61          HG22      ILE  61  51.636 -80.897   7.004
  495   3HG2  ILE  61          HG23      ILE  61  51.762 -80.372   5.326
  496   1HD1  ILE  61          HD11      ILE  61  52.403 -79.019   4.090
  497   2HD1  ILE  61          HD12      ILE  61  53.971 -78.255   4.345
  498   3HD1  ILE  61          HD13      ILE  61  52.611 -77.300   3.754
  499    H    GLN  62           HN       GLN  62  50.562 -79.400   9.671
  500    HA   GLN  62           HA       GLN  62  52.180 -81.430  11.080
  501   1HB   GLN  62           HB2      GLN  62  49.657 -79.937  11.853
  502   2HB   GLN  62           HB1      GLN  62  50.380 -81.217  12.823
  503   1HG   GLN  62           HG2      GLN  62  51.835 -78.699  11.966
  504   2HG   GLN  62           HG1      GLN  62  51.068 -78.913  13.540
  505   1HE2  GLN  62          HE21      GLN  62  54.047 -78.709  12.638
  506   2HE2  GLN  62          HE22      GLN  62  54.774 -80.032  13.415
  507    H    LYS  63           HN       LYS  63  50.895 -83.300  11.943
  508    HA   LYS  63           HA       LYS  63  50.008 -84.889   9.869
  509   1HB   LYS  63           HB2      LYS  63  48.959 -86.390  11.505
  510   2HB   LYS  63           HB1      LYS  63  50.580 -85.901  11.999
  511   1HG   LYS  63           HG2      LYS  63  49.605 -84.160  13.460
  512   2HG   LYS  63           HG1      LYS  63  47.987 -84.684  12.991
  513   1HD   LYS  63           HD2      LYS  63  48.557 -86.981  13.841
  514   2HD   LYS  63           HD1      LYS  63  50.070 -86.320  14.462
  515   1HE   LYS  63           HE2      LYS  63  48.852 -84.762  15.889
  516   2HE   LYS  63           HE1      LYS  63  47.316 -85.297  15.209
  517   1HZ   LYS  63           HZ1      LYS  63  47.467 -87.336  16.241
  518   2HZ   LYS  63           HZ2      LYS  63  48.115 -86.299  17.420
  519   3HZ   LYS  63           HZ3      LYS  63  49.147 -87.240  16.452
  520    H    GLU  64           HN       GLU  64  48.121 -85.429   8.956
  521    HA   GLU  64           HA       GLU  64  45.996 -85.222   8.154
  522   1HB   GLU  64           HB2      GLU  64  45.338 -84.111  10.887
  523   2HB   GLU  64           HB1      GLU  64  44.160 -84.528   9.647
  524   1HG   GLU  64           HG2      GLU  64  45.180 -86.857   9.639
  525   2HG   GLU  64           HG1      GLU  64  46.022 -86.398  11.127
  526    H    SER  65           HN       SER  65  47.948 -82.975   7.998
  527    HA   SER  65           HA       SER  65  46.259 -80.621   7.744
  528   1HB   SER  65           HB2      SER  65  49.081 -81.265   6.883
  529   2HB   SER  65           HB1      SER  65  48.294 -79.734   6.512
  530    HG   SER  65           HG       SER  65  47.959 -79.518   8.807
  531    H    THR  66           HN       THR  66  45.547 -79.724   5.785
  532    HA   THR  66           HA       THR  66  45.369 -81.646   3.535
  533    HB   THR  66           HB       THR  66  43.533 -79.348   4.272
  534    HG1  THR  66           HG1      THR  66  42.890 -80.870   5.589
  535   1HG2  THR  66          HG21      THR  66  43.607 -81.303   1.977
  536   2HG2  THR  66          HG22      THR  66  43.414 -79.550   1.931
  537   3HG2  THR  66          HG23      THR  66  42.092 -80.567   2.501
  538    H    LEU  67           HN       LEU  67  46.365 -81.152   1.747
  539    HA   LEU  67           HA       LEU  67  47.369 -78.414   1.273
  540   1HB   LEU  67           HB2      LEU  67  48.313 -81.182   0.606
  541   2HB   LEU  67           HB1      LEU  67  48.624 -79.940  -0.603
  542    HG   LEU  67           HG       LEU  67  49.741 -78.581   1.107
  543   1HD1  LEU  67          HD11      LEU  67  50.260 -79.541   3.308
  544   2HD1  LEU  67          HD12      LEU  67  49.335 -80.985   2.900
  545   3HD1  LEU  67          HD13      LEU  67  48.516 -79.434   3.085
  546   1HD2  LEU  67          HD21      LEU  67  51.747 -79.986   1.342
  547   2HD2  LEU  67          HD22      LEU  67  51.051 -80.124  -0.272
  548   3HD2  LEU  67          HD23      LEU  67  50.794 -81.404   0.910
  549    H    HIS  68           HN       HIS  68  47.135 -77.593  -0.897
  550    HA   HIS  68           HA       HIS  68  44.800 -78.697  -2.343
  551   1HB   HIS  68           HB2      HIS  68  45.795 -75.846  -2.073
  552   2HB   HIS  68           HB1      HIS  68  44.508 -76.331  -3.164
  553    HD1  HIS  68           HD1      HIS  68  45.305 -75.737   0.424
  554    HD2  HIS  68           HD2      HIS  68  42.062 -77.091  -1.817
  555    HE1  HIS  68           HE1      HIS  68  43.311 -75.715   1.972
  556    H    LEU  69           HN       LEU  69  45.161 -79.287  -4.419
  557    HA   LEU  69           HA       LEU  69  47.803 -78.666  -5.607
  558   1HB   LEU  69           HB2      LEU  69  47.380 -81.055  -5.375
  559   2HB   LEU  69           HB1      LEU  69  45.821 -80.896  -6.157
  560    HG   LEU  69           HG       LEU  69  46.893 -80.242  -8.255
  561   1HD1  LEU  69          HD11      LEU  69  48.868 -79.095  -7.598
  562   2HD1  LEU  69          HD12      LEU  69  49.436 -80.573  -8.355
  563   3HD1  LEU  69          HD13      LEU  69  49.408 -80.446  -6.604
  564   1HD2  LEU  69          HD21      LEU  69  48.222 -82.708  -7.117
  565   2HD2  LEU  69          HD22      LEU  69  47.848 -82.391  -8.811
  566   3HD2  LEU  69          HD23      LEU  69  46.543 -82.656  -7.654
  567    H    VAL  70           HN       VAL  70  47.927 -77.485  -7.422
  568    HA   VAL  70           HA       VAL  70  45.491 -76.806  -8.910
  569    HB   VAL  70           HB       VAL  70  47.770 -75.187  -7.901
  570   1HG1  VAL  70          HG11      VAL  70  47.062 -73.348  -9.542
  571   2HG1  VAL  70          HG12      VAL  70  46.219 -74.612 -10.436
  572   3HG1  VAL  70          HG13      VAL  70  47.970 -74.682 -10.252
  573   1HG2  VAL  70          HG21      VAL  70  46.129 -73.650  -7.227
  574   2HG2  VAL  70          HG22      VAL  70  45.500 -75.251  -6.842
  575   3HG2  VAL  70          HG23      VAL  70  44.907 -74.389  -8.263
  576    H    LEU  71           HN       LEU  71  45.539 -77.265 -10.935
  577    HA   LEU  71           HA       LEU  71  47.982 -78.391 -12.143
  578   1HB   LEU  71           HB2      LEU  71  45.089 -78.564 -13.027
  579   2HB   LEU  71           HB1      LEU  71  46.448 -79.400 -13.774
  580    HG   LEU  71           HG       LEU  71  45.526 -79.763 -10.905
  581   1HD1  LEU  71          HD11      LEU  71  44.614 -81.855 -11.592
  582   2HD1  LEU  71          HD12      LEU  71  45.398 -81.761 -13.170
  583   3HD1  LEU  71          HD13      LEU  71  44.054 -80.684 -12.787
  584   1HD2  LEU  71          HD21      LEU  71  47.809 -80.281 -10.826
  585   2HD2  LEU  71          HD22      LEU  71  47.848 -80.843 -12.497
  586   3HD2  LEU  71          HD23      LEU  71  47.120 -81.847 -11.244
  587    H    ARG  72           HN       ARG  72  49.030 -77.392 -13.735
  588    HA   ARG  72           HA       ARG  72  47.804 -74.989 -14.973
  589   1HB   ARG  72           HB2      ARG  72  49.882 -74.597 -13.680
  590   2HB   ARG  72           HB1      ARG  72  50.727 -75.746 -14.718
  591   1HG   ARG  72           HG2      ARG  72  50.215 -74.347 -16.684
  592   2HG   ARG  72           HG1      ARG  72  49.370 -73.199 -15.649
  593   1HD   ARG  72           HD2      ARG  72  51.450 -72.804 -14.394
  594   2HD   ARG  72           HD1      ARG  72  52.296 -73.952 -15.429
  595    HE   ARG  72           HE       ARG  72  51.410 -72.270 -17.278
  596   1HH1  ARG  72          HH21      ARG  72  53.449 -71.943 -14.567
  597   2HH1  ARG  72          HH22      ARG  72  53.784 -70.263 -14.819
  598   1HH2  ARG  72          HH11      ARG  72  51.525 -69.930 -17.429
  599   2HH2  ARG  72          HH12      ARG  72  52.697 -69.123 -16.441
  600    H    LEU  73           HN       LEU  73  47.383 -75.050 -17.135
  601    HA   LEU  73           HA       LEU  73  48.242 -77.441 -18.637
  602   1HB   LEU  73           HB2      LEU  73  46.026 -75.438 -19.096
  603   2HB   LEU  73           HB1      LEU  73  46.475 -76.664 -20.277
  604    HG   LEU  73           HG       LEU  73  46.155 -78.384 -18.388
  605   1HD1  LEU  73          HD11      LEU  73  46.078 -77.040 -16.427
  606   2HD1  LEU  73          HD12      LEU  73  44.412 -77.542 -16.691
  607   3HD1  LEU  73          HD13      LEU  73  44.921 -75.917 -17.140
  608   1HD2  LEU  73          HD21      LEU  73  43.745 -76.811 -19.349
  609   2HD2  LEU  73          HD22      LEU  73  43.735 -78.484 -18.792
  610   3HD2  LEU  73          HD23      LEU  73  44.581 -78.055 -20.279
  611    H    ARG  74           HN       ARG  74  50.071 -75.223 -18.195
  612    HA   ARG  74           HA       ARG  74  50.930 -74.889 -20.929
  613   1HB   ARG  74           HB2      ARG  74  49.330 -73.065 -20.834
  614   2HB   ARG  74           HB1      ARG  74  50.037 -72.479 -19.330
  615   1HG   ARG  74           HG2      ARG  74  52.094 -71.895 -20.431
  616   2HG   ARG  74           HG1      ARG  74  51.599 -72.710 -21.916
  617   1HD   ARG  74           HD2      ARG  74  49.862 -71.095 -22.309
  618   2HD   ARG  74           HD1      ARG  74  50.082 -70.383 -20.714
  619    HE   ARG  74           HE       ARG  74  51.861 -70.044 -23.037
  620   1HH1  ARG  74          HH21      ARG  74  50.546 -67.755 -21.524
  621   2HH1  ARG  74          HH22      ARG  74  51.871 -67.145 -20.591
  622   1HH2  ARG  74          HH11      ARG  74  53.833 -69.967 -21.035
  623   2HH2  ARG  74          HH12      ARG  74  53.729 -68.397 -20.311
  624    H    GLY  75           HN       GLY  75  53.057 -73.863 -21.071
  625   1HA   GLY  75           HA2      GLY  75  55.114 -73.144 -20.191
  626   2HA   GLY  75           HA1      GLY  75  54.518 -73.465 -18.565
  627    H    GLY  76           HN       GLY  76  53.596 -76.142 -20.056
  628   1HA   GLY  76           HA2      GLY  76  55.571 -77.803 -18.919
  629   2HA   GLY  76           HA1      GLY  76  54.369 -78.311 -20.102
  Start of MODEL    7
    1   1H    MET   1           HT1      MET   1  53.894 -87.472   8.852
    2   2H    MET   1           HT2      MET   1  53.329 -88.770   9.793
    3   3H    MET   1           HT3      MET   1  54.148 -87.476  10.529
    4    HA   MET   1           HA       MET   1  51.647 -87.504  10.774
    5   1HB   MET   1           HB2      MET   1  51.517 -85.047  10.422
    6   2HB   MET   1           HB1      MET   1  52.996 -85.516  11.255
    7   1HG   MET   1           HG2      MET   1  54.163 -85.511   9.022
    8   2HG   MET   1           HG1      MET   1  52.698 -84.820   8.322
    9   1HE   MET   1           HE1      MET   1  52.694 -82.456   7.809
   10   2HE   MET   1           HE2      MET   1  54.353 -82.938   7.462
   11   3HE   MET   1           HE3      MET   1  54.040 -81.406   8.275
   12    H    GLN   2           HN       GLN   2  49.681 -86.916   9.751
   13    HA   GLN   2           HA       GLN   2  49.610 -87.611   6.893
   14   1HB   GLN   2           HB2      GLN   2  47.476 -87.450   9.029
   15   2HB   GLN   2           HB1      GLN   2  47.122 -87.748   7.327
   16   1HG   GLN   2           HG2      GLN   2  48.415 -89.779   7.336
   17   2HG   GLN   2           HG1      GLN   2  49.051 -89.431   8.943
   18   1HE2  GLN   2          HE21      GLN   2  47.719 -91.868   8.569
   19   2HE2  GLN   2          HE22      GLN   2  46.214 -91.822   9.352
   20    H    ILE   3           HN       ILE   3  48.842 -86.261   5.351
   21    HA   ILE   3           HA       ILE   3  47.872 -83.583   6.114
   22    HB   ILE   3           HB       ILE   3  49.168 -82.586   4.315
   23   1HG1  ILE   3          HG12      ILE   3  50.567 -85.266   4.030
   24   2HG1  ILE   3          HG11      ILE   3  49.299 -84.730   2.934
   25   1HG2  ILE   3          HG21      ILE   3  50.942 -84.251   6.123
   26   2HG2  ILE   3          HG22      ILE   3  50.104 -82.782   6.625
   27   3HG2  ILE   3          HG23      ILE   3  51.349 -82.704   5.378
   28   1HD1  ILE   3          HD11      ILE   3  51.835 -84.263   2.364
   29   2HD1  ILE   3          HD12      ILE   3  51.608 -82.886   3.442
   30   3HD1  ILE   3          HD13      ILE   3  50.603 -83.061   2.004
   31    H    PHE   4           HN       PHE   4  46.760 -82.522   4.188
   32    HA   PHE   4           HA       PHE   4  45.354 -84.560   2.553
   33   1HB   PHE   4           HB2      PHE   4  44.180 -82.109   3.890
   34   2HB   PHE   4           HB1      PHE   4  43.319 -83.154   2.773
   35    HD1  PHE   4           HD1      PHE   4  42.848 -85.522   3.361
   36    HD2  PHE   4           HD2      PHE   4  44.600 -82.787   6.171
   37    HE1  PHE   4           HE1      PHE   4  42.280 -87.066   5.215
   38    HE2  PHE   4           HE2      PHE   4  44.031 -84.333   8.027
   39    HZ   PHE   4           HZ       PHE   4  42.872 -86.471   7.548
   40    H    VAL   5           HN       VAL   5  45.030 -84.079   0.422
   41    HA   VAL   5           HA       VAL   5  45.904 -81.405  -0.542
   42    HB   VAL   5           HB       VAL   5  46.208 -84.039  -2.017
   43   1HG1  VAL   5          HG11      VAL   5  47.589 -82.606  -3.545
   44   2HG1  VAL   5          HG12      VAL   5  47.106 -81.195  -2.605
   45   3HG1  VAL   5          HG13      VAL   5  45.896 -82.115  -3.499
   46   1HG2  VAL   5          HG21      VAL   5  47.813 -84.030  -0.221
   47   2HG2  VAL   5          HG22      VAL   5  48.197 -82.326  -0.488
   48   3HG2  VAL   5          HG23      VAL   5  48.679 -83.542  -1.677
   49    H    LYS   6           HN       LYS   6  44.312 -80.325  -1.536
   50    HA   LYS   6           HA       LYS   6  41.920 -81.820  -2.416
   51   1HB   LYS   6           HB2      LYS   6  42.413 -78.998  -1.526
   52   2HB   LYS   6           HB1      LYS   6  41.104 -79.291  -2.671
   53   1HG   LYS   6           HG2      LYS   6  40.275 -81.089  -1.038
   54   2HG   LYS   6           HG1      LYS   6  41.425 -80.438   0.128
   55   1HD   LYS   6           HD2      LYS   6  39.068 -79.043  -1.146
   56   2HD   LYS   6           HD1      LYS   6  39.339 -79.370   0.563
   57   1HE   LYS   6           HE2      LYS   6  41.436 -77.897   0.340
   58   2HE   LYS   6           HE1      LYS   6  40.755 -77.372  -1.200
   59   1HZ   LYS   6           HZ1      LYS   6  38.726 -76.736  -0.012
   60   2HZ   LYS   6           HZ2      LYS   6  40.084 -75.878   0.542
   61   3HZ   LYS   6           HZ3      LYS   6  39.453 -77.162   1.460
   62    H    THR   7           HN       THR   7  41.216 -81.803  -4.498
   63    HA   THR   7           HA       THR   7  43.086 -80.730  -6.500
   64    HB   THR   7           HB       THR   7  42.125 -82.271  -8.060
   65    HG1  THR   7           HG1      THR   7  39.963 -82.076  -7.405
   66   1HG2  THR   7          HG21      THR   7  42.349 -83.748  -5.439
   67   2HG2  THR   7          HG22      THR   7  43.732 -83.177  -6.372
   68   3HG2  THR   7          HG23      THR   7  42.644 -84.383  -7.057
   69    H    LEU   8           HN       LEU   8  42.071 -80.089  -8.544
   70    HA   LEU   8           HA       LEU   8  40.481 -77.775  -8.148
   71   1HB   LEU   8           HB2      LEU   8  40.923 -79.318 -10.716
   72   2HB   LEU   8           HB1      LEU   8  40.391 -77.644 -10.583
   73    HG   LEU   8           HG       LEU   8  43.054 -78.739  -9.649
   74   1HD1  LEU   8          HD11      LEU   8  43.968 -77.371 -11.490
   75   2HD1  LEU   8          HD12      LEU   8  42.329 -76.916 -11.958
   76   3HD1  LEU   8          HD13      LEU   8  42.851 -78.595 -12.095
   77   1HD2  LEU   8          HD21      LEU   8  42.643 -76.938  -8.195
   78   2HD2  LEU   8          HD22      LEU   8  41.725 -76.041  -9.406
   79   3HD2  LEU   8          HD23      LEU   8  43.482 -76.143  -9.526
   80    H    THR   9           HN       THR   9  39.600 -81.109  -8.703
   81    HA   THR   9           HA       THR   9  36.879 -80.350  -9.486
   82    HB   THR   9           HB       THR   9  36.517 -82.689  -9.974
   83    HG1  THR   9           HG1      THR   9  37.877 -84.224  -9.306
   84   1HG2  THR   9          HG21      THR   9  37.766 -81.379 -11.651
   85   2HG2  THR   9          HG22      THR   9  38.307 -83.057 -11.636
   86   3HG2  THR   9          HG23      THR   9  39.282 -81.810 -10.859
   87    H    GLY  10           HN       GLY  10  38.364 -80.560  -6.608
   88   1HA   GLY  10           HA2      GLY  10  37.228 -80.242  -4.566
   89   2HA   GLY  10           HA1      GLY  10  35.782 -80.944  -5.286
   90    H    LYS  11           HN       LYS  11  38.664 -82.730  -5.794
   91    HA   LYS  11           HA       LYS  11  37.685 -84.826  -4.001
   92   1HB   LYS  11           HB2      LYS  11  38.496 -85.326  -6.344
   93   2HB   LYS  11           HB1      LYS  11  40.110 -84.896  -5.807
   94   1HG   LYS  11           HG2      LYS  11  40.016 -86.644  -4.067
   95   2HG   LYS  11           HG1      LYS  11  38.391 -87.083  -4.598
   96   1HD   LYS  11           HD2      LYS  11  39.260 -87.646  -6.832
   97   2HD   LYS  11           HD1      LYS  11  40.886 -87.193  -6.320
   98   1HE   LYS  11           HE2      LYS  11  40.614 -88.929  -4.453
   99   2HE   LYS  11           HE1      LYS  11  39.202 -89.504  -5.341
  100   1HZ   LYS  11           HZ1      LYS  11  41.182 -89.233  -7.223
  101   2HZ   LYS  11           HZ2      LYS  11  40.604 -90.688  -6.562
  102   3HZ   LYS  11           HZ3      LYS  11  41.962 -89.925  -5.885
  103    H    THR  12           HN       THR  12  38.930 -85.601  -2.194
  104    HA   THR  12           HA       THR  12  41.303 -83.944  -1.491
  105    HB   THR  12           HB       THR  12  39.304 -85.221   0.402
  106    HG1  THR  12           HG1      THR  12  38.512 -83.234   0.619
  107   1HG2  THR  12          HG21      THR  12  41.500 -85.215   1.393
  108   2HG2  THR  12          HG22      THR  12  40.627 -83.844   2.077
  109   3HG2  THR  12          HG23      THR  12  41.822 -83.584   0.806
  110    H    ILE  13           HN       ILE  13  43.173 -85.038  -1.250
  111    HA   ILE  13           HA       ILE  13  43.042 -87.996  -0.988
  112    HB   ILE  13           HB       ILE  13  45.594 -86.673  -1.868
  113   1HG1  ILE  13          HG12      ILE  13  43.063 -86.782  -3.511
  114   2HG1  ILE  13          HG11      ILE  13  44.180 -85.435  -3.281
  115   1HG2  ILE  13          HG21      ILE  13  45.128 -89.197  -1.516
  116   2HG2  ILE  13          HG22      ILE  13  45.927 -88.716  -3.013
  117   3HG2  ILE  13          HG23      ILE  13  44.205 -89.099  -3.016
  118   1HD1  ILE  13          HD11      ILE  13  44.576 -87.924  -4.946
  119   2HD1  ILE  13          HD12      ILE  13  45.938 -86.925  -4.438
  120   3HD1  ILE  13          HD13      ILE  13  44.671 -86.237  -5.455
  121    H    THR  14           HN       THR  14  44.154 -88.992   0.643
  122    HA   THR  14           HA       THR  14  45.373 -87.239   2.671
  123    HB   THR  14           HB       THR  14  44.440 -90.121   2.855
  124    HG1  THR  14           HG1      THR  14  42.609 -89.313   3.480
  125   1HG2  THR  14          HG21      THR  14  44.709 -89.649   5.332
  126   2HG2  THR  14          HG22      THR  14  45.576 -88.182   4.879
  127   3HG2  THR  14          HG23      THR  14  46.218 -89.760   4.425
  128    H    LEU  15           HN       LEU  15  47.519 -87.317   3.013
  129    HA   LEU  15           HA       LEU  15  49.084 -89.515   1.770
  130   1HB   LEU  15           HB2      LEU  15  49.300 -86.568   1.550
  131   2HB   LEU  15           HB1      LEU  15  50.832 -87.373   1.813
  132    HG   LEU  15           HG       LEU  15  50.078 -88.935  -0.165
  133   1HD1  LEU  15          HD11      LEU  15  47.790 -88.084  -0.381
  134   2HD1  LEU  15          HD12      LEU  15  48.717 -87.725  -1.839
  135   3HD1  LEU  15          HD13      LEU  15  48.409 -86.455  -0.654
  136   1HD2  LEU  15          HD21      LEU  15  51.081 -87.259  -1.740
  137   2HD2  LEU  15          HD22      LEU  15  52.004 -87.494  -0.255
  138   3HD2  LEU  15          HD23      LEU  15  50.987 -86.066  -0.445
  139    H    GLU  16           HN       GLU  16  50.896 -90.235   2.934
  140    HA   GLU  16           HA       GLU  16  51.046 -89.305   5.743
  141   1HB   GLU  16           HB2      GLU  16  50.663 -91.756   5.457
  142   2HB   GLU  16           HB1      GLU  16  52.129 -91.861   4.484
  143   1HG   GLU  16           HG2      GLU  16  52.705 -92.538   6.723
  144   2HG   GLU  16           HG1      GLU  16  53.405 -90.942   6.470
  145    H    VAL  17           HN       VAL  17  52.708 -87.977   6.177
  146    HA   VAL  17           HA       VAL  17  55.175 -88.166   4.563
  147    HB   VAL  17           HB       VAL  17  55.214 -85.702   4.359
  148   1HG1  VAL  17          HG11      VAL  17  52.606 -86.722   3.227
  149   2HG1  VAL  17          HG12      VAL  17  54.160 -87.297   2.624
  150   3HG1  VAL  17          HG13      VAL  17  53.748 -85.589   2.505
  151   1HG2  VAL  17          HG21      VAL  17  52.470 -85.982   5.614
  152   2HG2  VAL  17          HG22      VAL  17  53.012 -84.522   4.785
  153   3HG2  VAL  17          HG23      VAL  17  53.845 -85.072   6.239
  154    H    GLU  18           HN       GLU  18  56.899 -86.812   5.436
  155    HA   GLU  18           HA       GLU  18  56.810 -86.615   8.388
  156   1HB   GLU  18           HB2      GLU  18  59.134 -87.378   6.584
  157   2HB   GLU  18           HB1      GLU  18  59.273 -87.067   8.310
  158   1HG   GLU  18           HG2      GLU  18  59.035 -89.458   8.035
  159   2HG   GLU  18           HG1      GLU  18  57.473 -88.846   8.642
  160    HA   PRO  19           HA       PRO  19  57.557 -82.317   7.649
  161   1HB   PRO  19           HB2      PRO  19  59.643 -82.211   9.777
  162   2HB   PRO  19           HB1      PRO  19  58.141 -81.274   9.612
  163   1HG   PRO  19           HG2      PRO  19  58.350 -83.265  11.408
  164   2HG   PRO  19           HG1      PRO  19  56.842 -82.939  10.537
  165   1HD   PRO  19           HD2      PRO  19  58.853 -85.136  10.028
  166   2HD   PRO  19           HD1      PRO  19  57.070 -85.170   9.961
  167    H    SER  20           HN       SER  20  60.290 -84.485   7.759
  168    HA   SER  20           HA       SER  20  62.108 -82.603   6.500
  169   1HB   SER  20           HB2      SER  20  63.632 -84.612   6.441
  170   2HB   SER  20           HB1      SER  20  63.109 -84.102   8.042
  171    HG   SER  20           HG       SER  20  61.646 -86.015   6.575
  172    H    ASP  21           HN       ASP  21  59.563 -84.380   5.276
  173    HA   ASP  21           HA       ASP  21  60.799 -85.443   2.917
  174   1HB   ASP  21           HB2      ASP  21  57.954 -84.833   3.721
  175   2HB   ASP  21           HB1      ASP  21  58.347 -85.355   2.084
  176    H    THR  22           HN       THR  22  60.975 -84.530   0.942
  177    HA   THR  22           HA       THR  22  60.929 -81.632   0.800
  178    HB   THR  22           HB       THR  22  61.958 -81.908  -1.372
  179    HG1  THR  22           HG1      THR  22  61.782 -83.721  -2.386
  180   1HG2  THR  22          HG21      THR  22  63.559 -81.870   0.363
  181   2HG2  THR  22          HG22      THR  22  64.004 -83.263  -0.623
  182   3HG2  THR  22          HG23      THR  22  63.141 -83.498   0.897
  183    H    ILE  23           HN       ILE  23  59.898 -80.515  -0.924
  184    HA   ILE  23           HA       ILE  23  57.187 -81.231  -1.346
  185    HB   ILE  23           HB       ILE  23  58.998 -79.283  -2.750
  186   1HG1  ILE  23          HG12      ILE  23  58.701 -78.803  -0.401
  187   2HG1  ILE  23          HG11      ILE  23  57.860 -77.596  -1.349
  188   1HG2  ILE  23          HG21      ILE  23  56.020 -79.678  -2.970
  189   2HG2  ILE  23          HG22      ILE  23  57.212 -79.710  -4.269
  190   3HG2  ILE  23          HG23      ILE  23  56.829 -78.190  -3.461
  191   1HD1  ILE  23          HD11      ILE  23  56.243 -78.090   0.227
  192   2HD1  ILE  23          HD12      ILE  23  56.741 -79.772   0.357
  193   3HD1  ILE  23          HD13      ILE  23  55.800 -79.241  -1.033
  194    H    GLU  24           HN       GLU  24  60.096 -81.655  -3.340
  195    HA   GLU  24           HA       GLU  24  58.802 -82.637  -5.649
  196   1HB   GLU  24           HB2      GLU  24  61.217 -82.013  -5.580
  197   2HB   GLU  24           HB1      GLU  24  61.531 -83.418  -4.565
  198   1HG   GLU  24           HG2      GLU  24  60.707 -84.903  -6.357
  199   2HG   GLU  24           HG1      GLU  24  60.391 -83.499  -7.375
  200    H    ASN  25           HN       ASN  25  59.863 -84.190  -2.651
  201    HA   ASN  25           HA       ASN  25  59.304 -86.853  -3.490
  202   1HB   ASN  25           HB2      ASN  25  59.426 -85.620  -0.746
  203   2HB   ASN  25           HB1      ASN  25  59.177 -87.347  -1.032
  204   1HD2  ASN  25          HD21      ASN  25  61.527 -86.116   0.246
  205   2HD2  ASN  25          HD22      ASN  25  62.869 -86.529  -0.703
  206    H    VAL  26           HN       VAL  26  57.375 -84.347  -1.912
  207    HA   VAL  26           HA       VAL  26  55.052 -85.950  -1.475
  208    HB   VAL  26           HB       VAL  26  55.372 -82.955  -1.851
  209   1HG1  VAL  26          HG11      VAL  26  52.970 -84.627  -1.094
  210   2HG1  VAL  26          HG12      VAL  26  53.102 -83.443  -2.393
  211   3HG1  VAL  26          HG13      VAL  26  53.087 -82.909  -0.712
  212   1HG2  VAL  26          HG21      VAL  26  54.914 -83.018   0.658
  213   2HG2  VAL  26          HG22      VAL  26  56.478 -83.651   0.148
  214   3HG2  VAL  26          HG23      VAL  26  55.172 -84.759   0.568
  215    H    LYS  27           HN       LYS  27  56.031 -83.907  -4.235
  216    HA   LYS  27           HA       LYS  27  53.688 -84.241  -5.751
  217   1HB   LYS  27           HB2      LYS  27  56.562 -83.959  -6.672
  218   2HB   LYS  27           HB1      LYS  27  55.154 -83.873  -7.720
  219   1HG   LYS  27           HG2      LYS  27  54.453 -81.956  -5.894
  220   2HG   LYS  27           HG1      LYS  27  56.233 -81.812  -5.841
  221   1HD   LYS  27           HD2      LYS  27  56.107 -81.806  -8.403
  222   2HD   LYS  27           HD1      LYS  27  54.401 -81.441  -8.174
  223   1HE   LYS  27           HE2      LYS  27  56.702 -79.845  -6.999
  224   2HE   LYS  27           HE1      LYS  27  55.739 -79.371  -8.398
  225   1HZ   LYS  27           HZ1      LYS  27  54.134 -78.623  -7.086
  226   2HZ   LYS  27           HZ2      LYS  27  55.182 -78.835  -5.765
  227   3HZ   LYS  27           HZ3      LYS  27  54.086 -80.062  -6.190
  228    H    ALA  28           HN       ALA  28  56.628 -86.190  -5.433
  229    HA   ALA  28           HA       ALA  28  56.060 -88.034  -7.483
  230   1HB   ALA  28           HB1      ALA  28  58.290 -87.761  -6.393
  231   2HB   ALA  28           HB2      ALA  28  57.758 -89.439  -6.495
  232   3HB   ALA  28           HB3      ALA  28  57.646 -88.570  -4.964
  233    H    LYS  29           HN       LYS  29  55.152 -87.946  -4.075
  234    HA   LYS  29           HA       LYS  29  54.028 -90.556  -3.972
  235   1HB   LYS  29           HB2      LYS  29  53.436 -88.051  -2.372
  236   2HB   LYS  29           HB1      LYS  29  52.704 -89.615  -2.031
  237   1HG   LYS  29           HG2      LYS  29  54.944 -90.591  -1.672
  238   2HG   LYS  29           HG1      LYS  29  55.679 -89.020  -2.012
  239   1HD   LYS  29           HD2      LYS  29  54.410 -88.027  -0.137
  240   2HD   LYS  29           HD1      LYS  29  53.707 -89.602   0.216
  241   1HE   LYS  29           HE2      LYS  29  55.705 -88.891   1.618
  242   2HE   LYS  29           HE1      LYS  29  55.814 -90.510   0.856
  243   1HZ   LYS  29           HZ1      LYS  29  57.856 -89.195   0.597
  244   2HZ   LYS  29           HZ2      LYS  29  56.976 -88.002  -0.233
  245   3HZ   LYS  29           HZ3      LYS  29  57.133 -89.560  -0.894
  246    H    ILE  30           HN       ILE  30  52.726 -87.371  -4.827
  247    HA   ILE  30           HA       ILE  30  49.999 -88.169  -5.183
  248    HB   ILE  30           HB       ILE  30  51.616 -85.864  -6.290
  249   1HG1  ILE  30          HG12      ILE  30  49.462 -86.072  -4.157
  250   2HG1  ILE  30          HG11      ILE  30  51.194 -85.936  -3.846
  251   1HG2  ILE  30          HG21      ILE  30  48.685 -86.585  -6.601
  252   2HG2  ILE  30          HG22      ILE  30  49.845 -86.235  -7.880
  253   3HG2  ILE  30          HG23      ILE  30  49.278 -84.942  -6.829
  254   1HD1  ILE  30          HD11      ILE  30  49.303 -83.882  -4.961
  255   2HD1  ILE  30          HD12      ILE  30  51.029 -83.779  -5.318
  256   3HD1  ILE  30          HD13      ILE  30  50.467 -83.718  -3.647
  257    H    GLN  31           HN       GLN  31  52.808 -88.089  -7.380
  258    HA   GLN  31           HA       GLN  31  51.441 -88.705  -9.760
  259   1HB   GLN  31           HB2      GLN  31  53.795 -87.999  -9.723
  260   2HB   GLN  31           HB1      GLN  31  54.237 -89.470  -8.858
  261   1HG   GLN  31           HG2      GLN  31  53.566 -90.841 -10.761
  262   2HG   GLN  31           HG1      GLN  31  52.974 -89.419 -11.619
  263   1HE2  GLN  31          HE21      GLN  31  54.519 -89.702 -13.379
  264   2HE2  GLN  31          HE22      GLN  31  56.173 -89.395 -13.155
  265    H    ASP  32           HN       ASP  32  52.894 -90.736  -7.280
  266    HA   ASP  32           HA       ASP  32  52.417 -93.227  -8.500
  267   1HB   ASP  32           HB2      ASP  32  53.932 -92.946  -6.591
  268   2HB   ASP  32           HB1      ASP  32  52.560 -92.567  -5.551
  269    H    LYS  33           HN       LYS  33  50.394 -91.300  -6.312
  270    HA   LYS  33           HA       LYS  33  48.347 -93.325  -6.163
  271   1HB   LYS  33           HB2      LYS  33  48.202 -90.425  -5.345
  272   2HB   LYS  33           HB1      LYS  33  47.123 -91.705  -4.815
  273   1HG   LYS  33           HG2      LYS  33  49.690 -92.676  -4.151
  274   2HG   LYS  33           HG1      LYS  33  49.750 -90.965  -3.743
  275   1HD   LYS  33           HD2      LYS  33  47.521 -91.324  -2.532
  276   2HD   LYS  33           HD1      LYS  33  47.836 -93.051  -2.700
  277   1HE   LYS  33           HE2      LYS  33  50.064 -92.682  -1.587
  278   2HE   LYS  33           HE1      LYS  33  49.578 -91.014  -1.284
  279   1HZ   LYS  33           HZ1      LYS  33  47.521 -92.060  -0.223
  280   2HZ   LYS  33           HZ2      LYS  33  48.982 -92.131   0.642
  281   3HZ   LYS  33           HZ3      LYS  33  48.418 -93.499  -0.192
  282    H    GLU  34           HN       GLU  34  48.572 -90.193  -7.883
  283    HA   GLU  34           HA       GLU  34  45.931 -90.794  -9.100
  284   1HB   GLU  34           HB2      GLU  34  47.416 -88.224  -8.612
  285   2HB   GLU  34           HB1      GLU  34  45.931 -88.324  -9.562
  286   1HG   GLU  34           HG2      GLU  34  46.229 -89.441  -6.781
  287   2HG   GLU  34           HG1      GLU  34  45.613 -87.794  -7.059
  288    H    GLY  35           HN       GLY  35  49.210 -90.719 -10.045
  289   1HA   GLY  35           HA2      GLY  35  50.056 -91.270 -12.122
  290   2HA   GLY  35           HA1      GLY  35  48.429 -91.198 -12.792
  291    H    ILE  36           HN       ILE  36  49.180 -88.409 -11.064
  292    HA   ILE  36           HA       ILE  36  49.298 -86.828 -13.502
  293    HB   ILE  36           HB       ILE  36  49.530 -85.910 -10.625
  294   1HG1  ILE  36          HG12      ILE  36  46.955 -85.851 -12.211
  295   2HG1  ILE  36          HG11      ILE  36  47.401 -87.313 -11.339
  296   1HG2  ILE  36          HG21      ILE  36  48.864 -83.763 -11.479
  297   2HG2  ILE  36          HG22      ILE  36  48.488 -84.439 -13.061
  298   3HG2  ILE  36          HG23      ILE  36  50.161 -84.336 -12.524
  299   1HD1  ILE  36          HD11      ILE  36  47.108 -84.548 -10.135
  300   2HD1  ILE  36          HD12      ILE  36  47.633 -85.982  -9.254
  301   3HD1  ILE  36          HD13      ILE  36  46.001 -85.903  -9.917
  302    HA   PRO  37           HA       PRO  37  53.757 -86.853 -13.256
  303   1HB   PRO  37           HB2      PRO  37  54.396 -85.158 -15.304
  304   2HB   PRO  37           HB1      PRO  37  53.715 -86.773 -15.616
  305   1HG   PRO  37           HG2      PRO  37  52.342 -84.143 -15.468
  306   2HG   PRO  37           HG1      PRO  37  52.174 -85.349 -16.715
  307   1HD   PRO  37           HD2      PRO  37  50.360 -85.126 -14.711
  308   2HD   PRO  37           HD1      PRO  37  50.790 -86.719 -15.378
  309    HA   PRO  38           HA       PRO  38  54.524 -83.490 -10.378
  310   1HB   PRO  38           HB2      PRO  38  57.391 -83.872 -11.237
  311   2HB   PRO  38           HB1      PRO  38  56.722 -83.793  -9.596
  312   1HG   PRO  38           HG2      PRO  38  57.446 -86.110 -10.668
  313   2HG   PRO  38           HG1      PRO  38  56.004 -85.982  -9.641
  314   1HD   PRO  38           HD2      PRO  38  56.171 -86.292 -12.617
  315   2HD   PRO  38           HD1      PRO  38  54.946 -86.880 -11.466
  316    H    ASP  39           HN       ASP  39  55.945 -83.305 -13.620
  317    HA   ASP  39           HA       ASP  39  56.718 -80.583 -13.337
  318   1HB   ASP  39           HB2      ASP  39  57.680 -82.162 -15.010
  319   2HB   ASP  39           HB1      ASP  39  56.160 -82.093 -15.900
  320    H    GLN  40           HN       GLN  40  53.685 -82.068 -13.864
  321    HA   GLN  40           HA       GLN  40  52.515 -79.621 -15.026
  322   1HB   GLN  40           HB2      GLN  40  51.351 -82.384 -14.675
  323   2HB   GLN  40           HB1      GLN  40  50.499 -81.018 -15.334
  324   1HG   GLN  40           HG2      GLN  40  53.109 -82.037 -16.451
  325   2HG   GLN  40           HG1      GLN  40  51.531 -82.528 -17.063
  326   1HE2  GLN  40          HE21      GLN  40  50.214 -80.875 -18.154
  327   2HE2  GLN  40          HE22      GLN  40  50.926 -79.447 -18.733
  328    H    GLN  41           HN       GLN  41  53.151 -80.798 -12.040
  329    HA   GLN  41           HA       GLN  41  50.595 -79.902 -10.844
  330   1HB   GLN  41           HB2      GLN  41  52.841 -81.623  -9.839
  331   2HB   GLN  41           HB1      GLN  41  51.577 -81.015  -8.774
  332   1HG   GLN  41           HG2      GLN  41  49.880 -82.071 -10.247
  333   2HG   GLN  41           HG1      GLN  41  51.194 -82.735 -11.234
  334   1HE2  GLN  41          HE21      GLN  41  51.977 -84.743 -10.615
  335   2HE2  GLN  41          HE22      GLN  41  51.726 -85.449  -9.092
  336    H    ARG  42           HN       ARG  42  50.411 -78.315  -9.455
  337    HA   ARG  42           HA       ARG  42  52.803 -76.882  -8.484
  338   1HB   ARG  42           HB2      ARG  42  50.237 -75.709  -9.543
  339   2HB   ARG  42           HB1      ARG  42  51.383 -74.787  -8.578
  340   1HG   ARG  42           HG2      ARG  42  53.132 -75.255 -10.253
  341   2HG   ARG  42           HG1      ARG  42  51.961 -76.162 -11.212
  342   1HD   ARG  42           HD2      ARG  42  50.568 -74.138 -11.428
  343   2HD   ARG  42           HD1      ARG  42  51.739 -73.231 -10.474
  344    HE   ARG  42           HE       ARG  42  52.855 -74.513 -12.825
  345   1HH1  ARG  42          HH11      ARG  42  50.849 -71.879 -11.910
  346   2HH1  ARG  42          HH12      ARG  42  51.640 -70.727 -12.933
  347   1HH2  ARG  42          HH21      ARG  42  54.092 -72.945 -13.980
  348   2HH2  ARG  42          HH22      ARG  42  53.478 -71.330 -14.105
  349    H    LEU  43           HN       LEU  43  52.869 -76.921  -6.320
  350    HA   LEU  43           HA       LEU  43  50.380 -77.519  -4.835
  351   1HB   LEU  43           HB2      LEU  43  53.305 -77.883  -4.125
  352   2HB   LEU  43           HB1      LEU  43  51.965 -78.095  -2.996
  353    HG   LEU  43           HG       LEU  43  52.206 -79.616  -5.615
  354   1HD1  LEU  43          HD11      LEU  43  53.083 -80.331  -2.803
  355   2HD1  LEU  43          HD12      LEU  43  54.083 -80.266  -4.254
  356   3HD1  LEU  43          HD13      LEU  43  52.866 -81.530  -4.079
  357   1HD2  LEU  43          HD21      LEU  43  50.639 -81.178  -4.205
  358   2HD2  LEU  43          HD22      LEU  43  49.944 -79.729  -4.915
  359   3HD2  LEU  43          HD23      LEU  43  50.372 -79.750  -3.208
  360    H    ILE  44           HN       ILE  44  49.485 -76.099  -3.568
  361    HA   ILE  44           HA       ILE  44  51.001 -73.654  -2.842
  362    HB   ILE  44           HB       ILE  44  48.079 -73.817  -3.598
  363   1HG1  ILE  44          HG12      ILE  44  50.591 -73.472  -5.203
  364   2HG1  ILE  44          HG11      ILE  44  49.040 -74.148  -5.682
  365   1HG2  ILE  44          HG21      ILE  44  48.160 -71.402  -3.541
  366   2HG2  ILE  44          HG22      ILE  44  49.904 -71.414  -3.280
  367   3HG2  ILE  44          HG23      ILE  44  48.817 -71.987  -2.015
  368   1HD1  ILE  44          HD11      ILE  44  48.159 -71.729  -5.592
  369   2HD1  ILE  44          HD12      ILE  44  49.247 -72.141  -6.918
  370   3HD1  ILE  44          HD13      ILE  44  49.856 -71.249  -5.523
  371    H    PHE  45           HN       PHE  45  50.888 -72.977  -0.825
  372    HA   PHE  45           HA       PHE  45  48.849 -74.066   0.999
  373   1HB   PHE  45           HB2      PHE  45  50.778 -75.494   1.356
  374   2HB   PHE  45           HB1      PHE  45  51.830 -74.092   1.512
  375    HD1  PHE  45           HD1      PHE  45  51.785 -72.685   3.506
  376    HD2  PHE  45           HD2      PHE  45  49.175 -76.074   3.119
  377    HE1  PHE  45           HE1      PHE  45  51.255 -72.553   5.925
  378    HE2  PHE  45           HE2      PHE  45  48.644 -75.942   5.538
  379    HZ   PHE  45           HZ       PHE  45  49.684 -74.181   6.941
  380    H    ALA  46           HN       ALA  46  47.982 -72.525   2.206
  381    HA   ALA  46           HA       ALA  46  47.500 -70.440   2.988
  382   1HB   ALA  46           HB1      ALA  46  49.156 -69.511   4.462
  383   2HB   ALA  46           HB2      ALA  46  50.445 -70.400   3.650
  384   3HB   ALA  46           HB3      ALA  46  49.225 -71.269   4.582
  385    H    GLY  47           HN       GLY  47  47.924 -70.449   0.225
  386   1HA   GLY  47           HA2      GLY  47  47.874 -68.776  -1.388
  387   2HA   GLY  47           HA1      GLY  47  48.386 -67.644  -0.155
  388    H    LYS  48           HN       LYS  48  50.663 -70.094  -0.070
  389    HA   LYS  48           HA       LYS  48  52.411 -68.602  -1.951
  390   1HB   LYS  48           HB2      LYS  48  53.287 -70.344   0.341
  391   2HB   LYS  48           HB1      LYS  48  54.276 -69.212  -0.563
  392   1HG   LYS  48           HG2      LYS  48  53.219 -67.316   0.399
  393   2HG   LYS  48           HG1      LYS  48  51.858 -68.264   0.993
  394   1HD   LYS  48           HD2      LYS  48  53.335 -67.738   2.856
  395   2HD   LYS  48           HD1      LYS  48  53.407 -69.469   2.528
  396   1HE   LYS  48           HE2      LYS  48  55.515 -69.292   1.460
  397   2HE   LYS  48           HE1      LYS  48  55.379 -67.541   1.301
  398   1HZ   LYS  48           HZ1      LYS  48  56.833 -68.491   3.167
  399   2HZ   LYS  48           HZ2      LYS  48  55.366 -68.817   3.959
  400   3HZ   LYS  48           HZ3      LYS  48  55.774 -67.221   3.543
  401    H    GLN  49           HN       GLN  49  53.533 -69.662  -3.524
  402    HA   GLN  49           HA       GLN  49  52.783 -72.405  -4.110
  403   1HB   GLN  49           HB2      GLN  49  54.640 -70.432  -5.467
  404   2HB   GLN  49           HB1      GLN  49  54.400 -72.080  -6.043
  405   1HG   GLN  49           HG2      GLN  49  52.010 -71.672  -6.318
  406   2HG   GLN  49           HG1      GLN  49  52.189 -70.044  -5.665
  407   1HE2  GLN  49          HE21      GLN  49  54.175 -68.839  -6.953
  408   2HE2  GLN  49          HE22      GLN  49  54.028 -68.935  -8.642
  409    H    LEU  50           HN       LEU  50  53.920 -74.183  -3.520
  410    HA   LEU  50           HA       LEU  50  56.331 -73.831  -1.914
  411   1HB   LEU  50           HB2      LEU  50  54.905 -76.400  -2.640
  412   2HB   LEU  50           HB1      LEU  50  56.080 -76.147  -1.361
  413    HG   LEU  50           HG       LEU  50  53.392 -74.770  -1.538
  414   1HD1  LEU  50          HD11      LEU  50  53.414 -77.290  -1.061
  415   2HD1  LEU  50          HD12      LEU  50  52.617 -76.279   0.143
  416   3HD1  LEU  50          HD13      LEU  50  54.242 -76.892   0.445
  417   1HD2  LEU  50          HD21      LEU  50  54.056 -74.347   0.976
  418   2HD2  LEU  50          HD22      LEU  50  54.757 -73.327  -0.274
  419   3HD2  LEU  50          HD23      LEU  50  55.691 -74.654   0.408
  420    H    GLU  51           HN       GLU  51  58.380 -74.350  -2.494
  421    HA   GLU  51           HA       GLU  51  58.836 -75.026  -5.305
  422   1HB   GLU  51           HB2      GLU  51  60.675 -74.053  -3.114
  423   2HB   GLU  51           HB1      GLU  51  61.243 -74.503  -4.724
  424   1HG   GLU  51           HG2      GLU  51  59.743 -72.868  -5.744
  425   2HG   GLU  51           HG1      GLU  51  59.144 -72.379  -4.165
  426    H    ASP  52           HN       ASP  52  60.178 -76.668  -6.048
  427    HA   ASP  52           HA       ASP  52  59.877 -79.153  -4.740
  428   1HB   ASP  52           HB2      ASP  52  61.463 -78.318  -7.158
  429   2HB   ASP  52           HB1      ASP  52  61.343 -79.979  -6.602
  430    H    GLY  53           HN       GLY  53  62.413 -76.811  -4.458
  431   1HA   GLY  53           HA2      GLY  53  64.321 -78.825  -3.472
  432   2HA   GLY  53           HA1      GLY  53  64.654 -77.125  -3.766
  433    H    ARG  54           HN       ARG  54  61.784 -77.282  -2.037
  434    HA   ARG  54           HA       ARG  54  63.232 -76.901   0.543
  435   1HB   ARG  54           HB2      ARG  54  60.584 -75.824  -0.404
  436   2HB   ARG  54           HB1      ARG  54  61.267 -75.530   1.191
  437   1HG   ARG  54           HG2      ARG  54  62.351 -74.575  -1.492
  438   2HG   ARG  54           HG1      ARG  54  61.686 -73.611  -0.208
  439   1HD   ARG  54           HD2      ARG  54  63.554 -74.456   1.296
  440   2HD   ARG  54           HD1      ARG  54  64.318 -75.100  -0.156
  441    HE   ARG  54           HE       ARG  54  64.057 -72.294   0.569
  442   1HH1  ARG  54          HH21      ARG  54  65.637 -74.634  -1.298
  443   2HH1  ARG  54          HH22      ARG  54  66.090 -73.560  -2.578
  444   1HH2  ARG  54          HH11      ARG  54  64.242 -70.894  -1.355
  445   2HH2  ARG  54          HH12      ARG  54  65.302 -71.443  -2.610
  446    H    THR  55           HN       THR  55  61.927 -77.446   2.528
  447    HA   THR  55           HA       THR  55  60.491 -80.006   2.134
  448    HB   THR  55           HB       THR  55  61.060 -80.574   4.404
  449    HG1  THR  55           HG1      THR  55  61.093 -78.710   5.500
  450   1HG2  THR  55          HG21      THR  55  62.736 -80.939   2.560
  451   2HG2  THR  55          HG22      THR  55  63.442 -80.824   4.173
  452   3HG2  THR  55          HG23      THR  55  63.531 -79.449   3.069
  453    H    LEU  56           HN       LEU  56  58.876 -80.561   3.783
  454    HA   LEU  56           HA       LEU  56  56.732 -78.708   3.905
  455   1HB   LEU  56           HB2      LEU  56  57.243 -81.127   5.648
  456   2HB   LEU  56           HB1      LEU  56  55.714 -80.262   5.534
  457    HG   LEU  56           HG       LEU  56  57.104 -81.613   3.204
  458   1HD1  LEU  56          HD11      LEU  56  54.801 -82.507   4.956
  459   2HD1  LEU  56          HD12      LEU  56  56.378 -83.282   4.805
  460   3HD1  LEU  56          HD13      LEU  56  55.259 -83.288   3.442
  461   1HD2  LEU  56          HD21      LEU  56  55.659 -79.920   2.326
  462   2HD2  LEU  56          HD22      LEU  56  54.451 -80.190   3.571
  463   3HD2  LEU  56          HD23      LEU  56  54.673 -81.373   2.286
  464    H    SER  57           HN       SER  57  59.173 -79.553   6.401
  465    HA   SER  57           HA       SER  57  57.969 -78.026   8.417
  466   1HB   SER  57           HB2      SER  57  60.148 -78.036   9.539
  467   2HB   SER  57           HB1      SER  57  59.698 -79.656   8.940
  468    HG   SER  57           HG       SER  57  61.680 -79.467   8.148
  469    H    ASP  58           HN       ASP  58  60.036 -77.057   5.782
  470    HA   ASP  58           HA       ASP  58  60.831 -74.546   6.800
  471   1HB   ASP  58           HB2      ASP  58  60.414 -75.510   3.965
  472   2HB   ASP  58           HB1      ASP  58  61.081 -73.938   4.352
  473    H    TYR  59           HN       TYR  59  57.812 -75.640   5.405
  474    HA   TYR  59           HA       TYR  59  56.789 -72.871   5.284
  475   1HB   TYR  59           HB2      TYR  59  55.700 -75.484   4.209
  476   2HB   TYR  59           HB1      TYR  59  54.790 -73.972   4.193
  477    HD1  TYR  59           HD1      TYR  59  57.660 -75.798   2.829
  478    HD2  TYR  59           HD2      TYR  59  55.493 -72.094   2.784
  479    HE1  TYR  59           HE1      TYR  59  58.852 -75.119   0.783
  480    HE2  TYR  59           HE2      TYR  59  56.697 -71.412   0.726
  481    HH   TYR  59           HH       TYR  59  58.205 -73.382  -1.253
  482    H    ASN  60           HN       ASN  60  57.183 -74.807   7.705
  483    HA   ASN  60           HA       ASN  60  56.138 -75.339   9.641
  484   1HB   ASN  60           HB2      ASN  60  54.647 -72.787   9.009
  485   2HB   ASN  60           HB1      ASN  60  54.693 -73.577  10.584
  486   1HD2  ASN  60          HD21      ASN  60  55.992 -70.975   9.179
  487   2HD2  ASN  60          HD22      ASN  60  57.554 -70.994   9.844
  488    H    ILE  61           HN       ILE  61  55.066 -76.736   7.450
  489    HA   ILE  61           HA       ILE  61  52.161 -76.678   7.714
  490    HB   ILE  61           HB       ILE  61  54.041 -78.514   6.185
  491   1HG1  ILE  61          HG12      ILE  61  52.117 -76.374   5.229
  492   2HG1  ILE  61          HG11      ILE  61  53.840 -76.106   5.466
  493   1HG2  ILE  61          HG21      ILE  61  51.874 -79.626   6.824
  494   2HG2  ILE  61          HG22      ILE  61  52.049 -79.397   5.086
  495   3HG2  ILE  61          HG23      ILE  61  51.023 -78.311   6.017
  496   1HD1  ILE  61          HD11      ILE  61  52.737 -78.264   3.647
  497   2HD1  ILE  61          HD12      ILE  61  54.405 -77.704   3.758
  498   3HD1  ILE  61          HD13      ILE  61  53.164 -76.649   3.084
  499    H    GLN  62           HN       GLN  62  51.122 -77.663   9.294
  500    HA   GLN  62           HA       GLN  62  52.548 -79.655  10.936
  501   1HB   GLN  62           HB2      GLN  62  50.261 -77.755  11.509
  502   2HB   GLN  62           HB1      GLN  62  50.767 -79.014  12.636
  503   1HG   GLN  62           HG2      GLN  62  53.030 -78.071  12.711
  504   2HG   GLN  62           HG1      GLN  62  52.570 -76.839  11.537
  505   1HE2  GLN  62          HE21      GLN  62  53.516 -76.188  14.194
  506   2HE2  GLN  62          HE22      GLN  62  52.233 -75.454  15.029
  507    H    LYS  63           HN       LYS  63  51.117 -81.254  12.061
  508    HA   LYS  63           HA       LYS  63  49.999 -82.997  10.243
  509   1HB   LYS  63           HB2      LYS  63  48.866 -84.133  12.109
  510   2HB   LYS  63           HB1      LYS  63  50.554 -83.768  12.476
  511   1HG   LYS  63           HG2      LYS  63  49.745 -81.632  13.578
  512   2HG   LYS  63           HG1      LYS  63  48.104 -82.248  13.407
  513   1HD   LYS  63           HD2      LYS  63  50.258 -83.869  14.772
  514   2HD   LYS  63           HD1      LYS  63  49.307 -82.665  15.645
  515   1HE   LYS  63           HE2      LYS  63  47.228 -83.826  14.967
  516   2HE   LYS  63           HE1      LYS  63  48.187 -85.041  14.124
  517   1HZ   LYS  63           HZ1      LYS  63  47.421 -85.197  16.701
  518   2HZ   LYS  63           HZ2      LYS  63  49.003 -84.592  16.846
  519   3HZ   LYS  63           HZ3      LYS  63  48.720 -86.051  16.022
  520    H    GLU  64           HN       GLU  64  48.041 -83.442   9.441
  521    HA   GLU  64           HA       GLU  64  45.921 -83.113   8.661
  522   1HB   GLU  64           HB2      GLU  64  45.484 -81.611  11.246
  523   2HB   GLU  64           HB1      GLU  64  44.220 -82.009  10.092
  524   1HG   GLU  64           HG2      GLU  64  44.880 -84.429  10.325
  525   2HG   GLU  64           HG1      GLU  64  45.907 -83.954  11.690
  526    H    SER  65           HN       SER  65  48.088 -81.143   8.165
  527    HA   SER  65           HA       SER  65  46.650 -78.669   7.632
  528   1HB   SER  65           HB2      SER  65  49.357 -79.724   6.805
  529   2HB   SER  65           HB1      SER  65  48.721 -78.177   6.251
  530    HG   SER  65           HG       SER  65  49.958 -78.720   8.519
  531    H    THR  66           HN       THR  66  45.943 -77.980   5.589
  532    HA   THR  66           HA       THR  66  45.537 -80.152   3.604
  533    HB   THR  66           HB       THR  66  43.895 -77.646   4.089
  534    HG1  THR  66           HG1      THR  66  42.504 -78.961   5.089
  535   1HG2  THR  66          HG21      THR  66  43.812 -78.252   1.758
  536   2HG2  THR  66          HG22      THR  66  42.314 -78.816   2.500
  537   3HG2  THR  66          HG23      THR  66  43.613 -79.959   2.155
  538    H    LEU  67           HN       LEU  67  46.581 -79.929   1.759
  539    HA   LEU  67           HA       LEU  67  47.676 -77.291   0.975
  540   1HB   LEU  67           HB2      LEU  67  48.401 -80.016  -0.131
  541   2HB   LEU  67           HB1      LEU  67  49.212 -78.488  -0.441
  542    HG   LEU  67           HG       LEU  67  49.502 -78.480   2.223
  543   1HD1  LEU  67          HD11      LEU  67  50.013 -80.852   2.944
  544   2HD1  LEU  67          HD12      LEU  67  49.074 -81.384   1.552
  545   3HD1  LEU  67          HD13      LEU  67  48.309 -80.429   2.819
  546   1HD2  LEU  67          HD21      LEU  67  51.133 -80.073   0.240
  547   2HD2  LEU  67          HD22      LEU  67  51.669 -79.723   1.884
  548   3HD2  LEU  67          HD23      LEU  67  51.388 -78.402   0.748
  549    H    HIS  68           HN       HIS  68  47.520 -76.777  -1.299
  550    HA   HIS  68           HA       HIS  68  45.092 -77.890  -2.569
  551   1HB   HIS  68           HB2      HIS  68  46.359 -75.143  -2.739
  552   2HB   HIS  68           HB1      HIS  68  45.012 -75.661  -3.740
  553    HD1  HIS  68           HD1      HIS  68  45.927 -74.648  -0.269
  554    HD2  HIS  68           HD2      HIS  68  42.527 -75.949  -2.297
  555    HE1  HIS  68           HE1      HIS  68  43.969 -74.201   1.264
  556    H    LEU  69           HN       LEU  69  45.329 -78.790  -4.539
  557    HA   LEU  69           HA       LEU  69  47.988 -78.664  -5.839
  558   1HB   LEU  69           HB2      LEU  69  47.200 -80.938  -5.231
  559   2HB   LEU  69           HB1      LEU  69  45.722 -80.670  -6.142
  560    HG   LEU  69           HG       LEU  69  47.211 -80.321  -8.195
  561   1HD1  LEU  69          HD11      LEU  69  49.236 -81.462  -6.265
  562   2HD1  LEU  69          HD12      LEU  69  49.361 -79.951  -7.169
  563   3HD1  LEU  69          HD13      LEU  69  49.432 -81.492  -8.013
  564   1HD2  LEU  69          HD21      LEU  69  45.943 -82.362  -7.903
  565   2HD2  LEU  69          HD22      LEU  69  47.142 -82.987  -6.770
  566   3HD2  LEU  69          HD23      LEU  69  47.557 -82.786  -8.472
  567    H    VAL  70           HN       VAL  70  48.171 -77.740  -7.785
  568    HA   VAL  70           HA       VAL  70  45.765 -76.993  -9.299
  569    HB   VAL  70           HB       VAL  70  48.248 -75.526  -8.557
  570   1HG1  VAL  70          HG11      VAL  70  47.736 -73.861 -10.426
  571   2HG1  VAL  70          HG12      VAL  70  46.699 -75.104 -11.126
  572   3HG1  VAL  70          HG13      VAL  70  48.431 -75.388 -10.969
  573   1HG2  VAL  70          HG21      VAL  70  46.787 -73.691  -8.175
  574   2HG2  VAL  70          HG22      VAL  70  46.085 -75.128  -7.433
  575   3HG2  VAL  70          HG23      VAL  70  45.451 -74.528  -8.967
  576    H    LEU  71           HN       LEU  71  45.793 -77.522 -11.375
  577    HA   LEU  71           HA       LEU  71  48.042 -79.174 -12.360
  578   1HB   LEU  71           HB2      LEU  71  45.203 -78.982 -13.401
  579   2HB   LEU  71           HB1      LEU  71  46.432 -80.144 -13.898
  580    HG   LEU  71           HG       LEU  71  45.256 -79.902 -11.111
  581   1HD1  LEU  71          HD11      LEU  71  44.151 -82.005 -11.600
  582   2HD1  LEU  71          HD12      LEU  71  44.954 -82.111 -13.166
  583   3HD1  LEU  71          HD13      LEU  71  43.745 -80.859 -12.878
  584   1HD2  LEU  71          HD21      LEU  71  47.429 -80.727 -10.758
  585   2HD2  LEU  71          HD22      LEU  71  47.464 -81.584 -12.299
  586   3HD2  LEU  71          HD23      LEU  71  46.504 -82.213 -10.959
  587    H    ARG  72           HN       ARG  72  49.136 -78.642 -14.166
  588    HA   ARG  72           HA       ARG  72  48.332 -76.163 -15.595
  589   1HB   ARG  72           HB2      ARG  72  50.361 -75.839 -14.240
  590   2HB   ARG  72           HB1      ARG  72  51.121 -77.212 -15.048
  591   1HG   ARG  72           HG2      ARG  72  51.075 -76.085 -17.176
  592   2HG   ARG  72           HG1      ARG  72  50.074 -74.786 -16.526
  593   1HD   ARG  72           HD2      ARG  72  51.867 -74.047 -15.077
  594   2HD   ARG  72           HD1      ARG  72  52.857 -75.433 -15.524
  595    HE   ARG  72           HE       ARG  72  52.225 -74.046 -17.878
  596   1HH1  ARG  72          HH21      ARG  72  54.856 -74.638 -16.052
  597   2HH1  ARG  72          HH22      ARG  72  55.620 -73.094 -16.228
  598   1HH2  ARG  72          HH11      ARG  72  52.832 -71.576 -17.624
  599   2HH2  ARG  72          HH12      ARG  72  54.475 -71.361 -17.120
  600    H    LEU  73           HN       LEU  73  48.334 -76.223 -17.798
  601    HA   LEU  73           HA       LEU  73  49.021 -78.805 -19.092
  602   1HB   LEU  73           HB2      LEU  73  46.803 -76.842 -19.673
  603   2HB   LEU  73           HB1      LEU  73  47.261 -78.131 -20.783
  604    HG   LEU  73           HG       LEU  73  46.570 -78.663 -17.880
  605   1HD1  LEU  73          HD11      LEU  73  44.640 -77.575 -18.952
  606   2HD1  LEU  73          HD12      LEU  73  44.307 -79.286 -18.681
  607   3HD1  LEU  73          HD13      LEU  73  44.730 -78.715 -20.295
  608   1HD2  LEU  73          HD21      LEU  73  47.621 -80.585 -18.735
  609   2HD2  LEU  73          HD22      LEU  73  46.968 -80.352 -20.355
  610   3HD2  LEU  73          HD23      LEU  73  45.926 -80.930 -19.059
  611    H    ARG  74           HN       ARG  74  49.289 -78.481 -21.539
  612    HA   ARG  74           HA       ARG  74  50.607 -77.695 -23.243
  613   1HB   ARG  74           HB2      ARG  74  49.090 -75.755 -23.158
  614   2HB   ARG  74           HB1      ARG  74  50.095 -75.016 -21.916
  615   1HG   ARG  74           HG2      ARG  74  52.006 -74.960 -23.491
  616   2HG   ARG  74           HG1      ARG  74  50.992 -75.696 -24.732
  617   1HD   ARG  74           HD2      ARG  74  50.992 -73.318 -25.116
  618   2HD   ARG  74           HD1      ARG  74  49.410 -73.747 -24.467
  619    HE   ARG  74           HE       ARG  74  50.808 -73.096 -22.235
  620   1HH1  ARG  74          HH11      ARG  74  48.701 -71.320 -23.663
  621   2HH1  ARG  74          HH12      ARG  74  49.562 -69.820 -23.753
  622   1HH2  ARG  74          HH21      ARG  74  52.646 -71.242 -23.053
  623   2HH2  ARG  74          HH22      ARG  74  51.795 -69.775 -23.405
  624    H    GLY  75           HN       GLY  75  52.403 -78.860 -22.309
  625   1HA   GLY  75           HA2      GLY  75  54.814 -77.668 -22.252
  626   2HA   GLY  75           HA1      GLY  75  54.264 -77.422 -20.597
  627    H    GLY  76           HN       GLY  76  56.200 -78.746 -20.110
  628   1HA   GLY  76           HA2      GLY  76  56.582 -81.399 -20.844
  629   2HA   GLY  76           HA1      GLY  76  57.091 -80.711 -19.305
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1  53.262 -87.497   8.944
    2   2H    MET   1           HT2      MET   1  52.608 -88.634  10.023
    3   3H    MET   1           HT3      MET   1  53.563 -87.356  10.607
    4    HA   MET   1           HA       MET   1  51.032 -87.181  10.845
    5   1HB   MET   1           HB2      MET   1  51.168 -84.734  10.435
    6   2HB   MET   1           HB1      MET   1  52.569 -85.334  11.316
    7   1HG   MET   1           HG2      MET   1  53.768 -85.515   9.095
    8   2HG   MET   1           HG1      MET   1  52.408 -84.656   8.370
    9   1HE   MET   1           HE1      MET   1  52.755 -82.413   7.776
   10   2HE   MET   1           HE2      MET   1  54.413 -82.972   7.564
   11   3HE   MET   1           HE3      MET   1  54.107 -81.415   8.331
   12    H    GLN   2           HN       GLN   2  49.161 -86.423   9.758
   13    HA   GLN   2           HA       GLN   2  49.099 -87.174   6.913
   14   1HB   GLN   2           HB2      GLN   2  46.933 -86.815   8.989
   15   2HB   GLN   2           HB1      GLN   2  46.598 -87.109   7.282
   16   1HG   GLN   2           HG2      GLN   2  47.742 -89.227   7.343
   17   2HG   GLN   2           HG1      GLN   2  48.360 -88.909   8.963
   18   1HE2  GLN   2          HE21      GLN   2  46.789 -91.241   8.408
   19   2HE2  GLN   2          HE22      GLN   2  45.306 -91.088   9.220
   20    H    ILE   3           HN       ILE   3  48.467 -85.797   5.322
   21    HA   ILE   3           HA       ILE   3  47.702 -83.033   6.022
   22    HB   ILE   3           HB       ILE   3  49.117 -82.144   4.290
   23   1HG1  ILE   3          HG12      ILE   3  50.330 -84.896   3.916
   24   2HG1  ILE   3          HG11      ILE   3  49.062 -84.287   2.852
   25   1HG2  ILE   3          HG21      ILE   3  50.606 -84.010   6.160
   26   2HG2  ILE   3          HG22      ILE   3  50.080 -82.367   6.524
   27   3HG2  ILE   3          HG23      ILE   3  51.328 -82.644   5.309
   28   1HD1  ILE   3          HD11      ILE   3  51.656 -82.825   3.402
   29   2HD1  ILE   3          HD12      ILE   3  50.415 -82.374   2.234
   30   3HD1  ILE   3          HD13      ILE   3  51.369 -83.837   1.985
   31    H    PHE   4           HN       PHE   4  46.774 -81.901   4.047
   32    HA   PHE   4           HA       PHE   4  45.182 -83.807   2.428
   33   1HB   PHE   4           HB2      PHE   4  44.276 -81.168   3.596
   34   2HB   PHE   4           HB1      PHE   4  43.324 -82.197   2.542
   35    HD1  PHE   4           HD1      PHE   4  42.733 -84.548   3.317
   36    HD2  PHE   4           HD2      PHE   4  44.439 -81.592   5.925
   37    HE1  PHE   4           HE1      PHE   4  41.979 -85.850   5.288
   38    HE2  PHE   4           HE2      PHE   4  43.685 -82.891   7.893
   39    HZ   PHE   4           HZ       PHE   4  42.454 -85.022   7.578
   40    H    VAL   5           HN       VAL   5  45.015 -83.365   0.259
   41    HA   VAL   5           HA       VAL   5  46.170 -80.809  -0.727
   42    HB   VAL   5           HB       VAL   5  46.289 -83.495  -2.135
   43   1HG1  VAL   5          HG11      VAL   5  47.431 -80.753  -2.787
   44   2HG1  VAL   5          HG12      VAL   5  46.145 -81.577  -3.668
   45   3HG1  VAL   5          HG13      VAL   5  47.783 -82.227  -3.689
   46   1HG2  VAL   5          HG21      VAL   5  48.574 -81.874  -0.964
   47   2HG2  VAL   5          HG22      VAL   5  48.646 -83.506  -1.632
   48   3HG2  VAL   5          HG23      VAL   5  47.814 -83.215  -0.104
   49    H    LYS   6           HN       LYS   6  44.676 -79.611  -1.782
   50    HA   LYS   6           HA       LYS   6  42.198 -80.940  -2.693
   51   1HB   LYS   6           HB2      LYS   6  42.845 -78.169  -1.782
   52   2HB   LYS   6           HB1      LYS   6  41.570 -78.356  -2.990
   53   1HG   LYS   6           HG2      LYS   6  40.422 -79.976  -1.508
   54   2HG   LYS   6           HG1      LYS   6  41.693 -79.779  -0.300
   55   1HD   LYS   6           HD2      LYS   6  41.152 -77.390  -0.118
   56   2HD   LYS   6           HD1      LYS   6  39.886 -77.585  -1.329
   57   1HE   LYS   6           HE2      LYS   6  38.645 -79.078   0.115
   58   2HE   LYS   6           HE1      LYS   6  39.965 -79.114   1.285
   59   1HZ   LYS   6           HZ1      LYS   6  39.656 -76.744   1.649
   60   2HZ   LYS   6           HZ2      LYS   6  38.223 -77.596   1.976
   61   3HZ   LYS   6           HZ3      LYS   6  38.381 -76.717   0.531
   62    H    THR   7           HN       THR   7  41.468 -80.816  -4.777
   63    HA   THR   7           HA       THR   7  43.454 -79.949  -6.767
   64    HB   THR   7           HB       THR   7  42.397 -81.429  -8.319
   65    HG1  THR   7           HG1      THR   7  40.322 -81.593  -8.106
   66   1HG2  THR   7          HG21      THR   7  43.890 -82.468  -6.642
   67   2HG2  THR   7          HG22      THR   7  42.652 -83.575  -7.234
   68   3HG2  THR   7          HG23      THR   7  42.481 -82.829  -5.645
   69    H    LEU   8           HN       LEU   8  42.604 -79.140  -8.782
   70    HA   LEU   8           HA       LEU   8  41.079 -76.772  -8.388
   71   1HB   LEU   8           HB2      LEU   8  41.706 -78.220 -10.971
   72   2HB   LEU   8           HB1      LEU   8  41.144 -76.555 -10.837
   73    HG   LEU   8           HG       LEU   8  43.699 -77.632  -9.636
   74   1HD1  LEU   8          HD11      LEU   8  43.137 -76.010 -12.127
   75   2HD1  LEU   8          HD12      LEU   8  43.956 -77.568 -12.019
   76   3HD1  LEU   8          HD13      LEU   8  44.739 -76.115 -11.397
   77   1HD2  LEU   8          HD21      LEU   8  42.322 -74.955  -9.569
   78   2HD2  LEU   8          HD22      LEU   8  44.085 -75.008  -9.554
   79   3HD2  LEU   8          HD23      LEU   8  43.172 -75.803  -8.277
   80    H    THR   9           HN       THR   9  40.069 -80.029  -8.973
   81    HA   THR   9           HA       THR   9  37.451 -79.133  -9.970
   82    HB   THR   9           HB       THR   9  36.997 -81.462 -10.476
   83    HG1  THR   9           HG1      THR   9  38.367 -83.058  -9.831
   84   1HG2  THR   9          HG21      THR   9  38.552 -80.070 -11.966
   85   2HG2  THR   9          HG22      THR   9  38.645 -81.820 -12.164
   86   3HG2  THR   9          HG23      THR   9  39.882 -80.970 -11.238
   87    H    GLY  10           HN       GLY  10  38.729 -79.332  -7.029
   88   1HA   GLY  10           HA2      GLY  10  37.498 -78.951  -5.066
   89   2HA   GLY  10           HA1      GLY  10  36.071 -79.607  -5.851
   90    H    LYS  11           HN       LYS  11  38.874 -81.552  -6.169
   91    HA   LYS  11           HA       LYS  11  37.692 -83.526  -4.358
   92   1HB   LYS  11           HB2      LYS  11  38.554 -84.148  -6.651
   93   2HB   LYS  11           HB1      LYS  11  40.174 -83.822  -6.057
   94   1HG   LYS  11           HG2      LYS  11  39.875 -85.493  -4.266
   95   2HG   LYS  11           HG1      LYS  11  38.245 -85.830  -4.854
   96   1HD   LYS  11           HD2      LYS  11  39.170 -86.538  -7.029
   97   2HD   LYS  11           HD1      LYS  11  40.800 -86.203  -6.444
   98   1HE   LYS  11           HE2      LYS  11  38.896 -88.181  -5.159
   99   2HE   LYS  11           HE1      LYS  11  40.192 -88.621  -6.270
  100   1HZ   LYS  11           HZ1      LYS  11  40.444 -87.362  -3.600
  101   2HZ   LYS  11           HZ2      LYS  11  41.730 -87.447  -4.708
  102   3HZ   LYS  11           HZ3      LYS  11  41.036 -88.872  -4.096
  103    H    THR  12           HN       THR  12  38.758 -84.294  -2.463
  104    HA   THR  12           HA       THR  12  41.242 -82.830  -1.711
  105    HB   THR  12           HB       THR  12  39.077 -83.879   0.149
  106    HG1  THR  12           HG1      THR  12  39.856 -81.199  -0.166
  107   1HG2  THR  12          HG21      THR  12  40.439 -82.613   1.849
  108   2HG2  THR  12          HG22      THR  12  41.680 -82.389   0.616
  109   3HG2  THR  12          HG23      THR  12  41.276 -84.012   1.176
  110    H    ILE  13           HN       ILE  13  42.995 -84.113  -1.409
  111    HA   ILE  13           HA       ILE  13  42.547 -87.033  -1.061
  112    HB   ILE  13           HB       ILE  13  45.182 -85.881  -1.985
  113   1HG1  ILE  13          HG12      ILE  13  42.694 -86.351  -3.642
  114   2HG1  ILE  13          HG11      ILE  13  43.661 -84.882  -3.532
  115   1HG2  ILE  13          HG21      ILE  13  45.507 -88.070  -2.878
  116   2HG2  ILE  13          HG22      ILE  13  43.792 -88.461  -2.745
  117   3HG2  ILE  13          HG23      ILE  13  44.781 -88.324  -1.290
  118   1HD1  ILE  13          HD11      ILE  13  44.425 -87.500  -4.843
  119   2HD1  ILE  13          HD12      ILE  13  45.599 -86.233  -4.481
  120   3HD1  ILE  13          HD13      ILE  13  44.270 -85.910  -5.595
  121    H    THR  14           HN       THR  14  43.520 -88.085   0.614
  122    HA   THR  14           HA       THR  14  44.904 -86.401   2.606
  123    HB   THR  14           HB       THR  14  43.578 -89.114   2.909
  124    HG1  THR  14           HG1      THR  14  42.439 -86.864   2.655
  125   1HG2  THR  14          HG21      THR  14  43.876 -88.600   5.350
  126   2HG2  THR  14          HG22      THR  14  44.873 -87.221   4.887
  127   3HG2  THR  14          HG23      THR  14  45.393 -88.859   4.490
  128    H    LEU  15           HN       LEU  15  47.019 -86.778   3.033
  129    HA   LEU  15           HA       LEU  15  48.258 -89.237   1.917
  130   1HB   LEU  15           HB2      LEU  15  49.399 -86.433   1.934
  131   2HB   LEU  15           HB1      LEU  15  50.233 -87.876   1.362
  132    HG   LEU  15           HG       LEU  15  47.613 -86.844   0.228
  133   1HD1  LEU  15          HD11      LEU  15  48.982 -86.133  -1.705
  134   2HD1  LEU  15          HD12      LEU  15  50.442 -86.630  -0.849
  135   3HD1  LEU  15          HD13      LEU  15  49.468 -85.295  -0.231
  136   1HD2  LEU  15          HD21      LEU  15  47.660 -89.130  -0.305
  137   2HD2  LEU  15          HD22      LEU  15  49.420 -89.179  -0.399
  138   3HD2  LEU  15          HD23      LEU  15  48.486 -88.433  -1.695
  139    H    GLU  16           HN       GLU  16  50.011 -90.085   3.087
  140    HA   GLU  16           HA       GLU  16  50.245 -89.092   5.869
  141   1HB   GLU  16           HB2      GLU  16  49.615 -91.541   5.486
  142   2HB   GLU  16           HB1      GLU  16  51.215 -91.759   4.777
  143   1HG   GLU  16           HG2      GLU  16  50.787 -90.625   7.551
  144   2HG   GLU  16           HG1      GLU  16  51.033 -92.343   7.245
  145    H    VAL  17           HN       VAL  17  52.038 -87.945   6.302
  146    HA   VAL  17           HA       VAL  17  54.491 -88.448   4.734
  147    HB   VAL  17           HB       VAL  17  54.816 -86.015   4.470
  148   1HG1  VAL  17          HG11      VAL  17  52.199 -87.062   3.349
  149   2HG1  VAL  17          HG12      VAL  17  53.794 -87.282   2.630
  150   3HG1  VAL  17          HG13      VAL  17  53.085 -85.670   2.729
  151   1HG2  VAL  17          HG21      VAL  17  52.047 -85.933   5.697
  152   2HG2  VAL  17          HG22      VAL  17  52.775 -84.569   4.849
  153   3HG2  VAL  17          HG23      VAL  17  53.517 -85.187   6.324
  154    H    GLU  18           HN       GLU  18  56.349 -87.275   5.612
  155    HA   GLU  18           HA       GLU  18  56.226 -87.003   8.556
  156   1HB   GLU  18           HB2      GLU  18  58.492 -88.030   6.811
  157   2HB   GLU  18           HB1      GLU  18  58.649 -87.677   8.527
  158   1HG   GLU  18           HG2      GLU  18  56.652 -89.639   7.356
  159   2HG   GLU  18           HG1      GLU  18  58.205 -90.098   8.052
  160    HA   PRO  19           HA       PRO  19  57.458 -82.833   7.749
  161   1HB   PRO  19           HB2      PRO  19  59.504 -82.879   9.913
  162   2HB   PRO  19           HB1      PRO  19  58.090 -81.821   9.711
  163   1HG   PRO  19           HG2      PRO  19  58.105 -83.790  11.544
  164   2HG   PRO  19           HG1      PRO  19  56.643 -83.351  10.648
  165   1HD   PRO  19           HD2      PRO  19  58.469 -85.713  10.192
  166   2HD   PRO  19           HD1      PRO  19  56.690 -85.607  10.125
  167    H    SER  20           HN       SER  20  59.944 -85.277   7.961
  168    HA   SER  20           HA       SER  20  61.967 -83.616   6.697
  169   1HB   SER  20           HB2      SER  20  62.305 -85.512   8.450
  170   2HB   SER  20           HB1      SER  20  62.257 -86.577   7.049
  171    HG   SER  20           HG       SER  20  64.084 -85.737   6.341
  172    H    ASP  21           HN       ASP  21  59.292 -85.180   5.472
  173    HA   ASP  21           HA       ASP  21  60.462 -86.431   3.169
  174   1HB   ASP  21           HB2      ASP  21  57.676 -85.537   3.910
  175   2HB   ASP  21           HB1      ASP  21  58.040 -86.133   2.292
  176    H    THR  22           HN       THR  22  60.724 -85.606   1.170
  177    HA   THR  22           HA       THR  22  60.970 -82.727   0.951
  178    HB   THR  22           HB       THR  22  62.020 -83.150  -1.181
  179    HG1  THR  22           HG1      THR  22  61.336 -85.844  -0.657
  180   1HG2  THR  22          HG21      THR  22  62.991 -85.010   1.000
  181   2HG2  THR  22          HG22      THR  22  63.487 -83.338   0.741
  182   3HG2  THR  22          HG23      THR  22  63.925 -84.579  -0.433
  183    H    ILE  23           HN       ILE  23  60.057 -81.573  -0.806
  184    HA   ILE  23           HA       ILE  23  57.300 -82.058  -1.271
  185    HB   ILE  23           HB       ILE  23  59.308 -80.284  -2.639
  186   1HG1  ILE  23          HG12      ILE  23  58.959 -79.761  -0.304
  187   2HG1  ILE  23          HG11      ILE  23  58.249 -78.504  -1.294
  188   1HG2  ILE  23          HG21      ILE  23  57.507 -80.641  -4.202
  189   2HG2  ILE  23          HG22      ILE  23  57.294 -79.045  -3.482
  190   3HG2  ILE  23          HG23      ILE  23  56.307 -80.398  -2.932
  191   1HD1  ILE  23          HD11      ILE  23  56.523 -78.848   0.202
  192   2HD1  ILE  23          HD12      ILE  23  56.903 -80.553   0.404
  193   3HD1  ILE  23          HD13      ILE  23  56.060 -80.008  -1.041
  194    H    GLU  24           HN       GLU  24  60.195 -82.833  -3.171
  195    HA   GLU  24           HA       GLU  24  58.847 -83.731  -5.488
  196   1HB   GLU  24           HB2      GLU  24  61.291 -83.356  -5.430
  197   2HB   GLU  24           HB1      GLU  24  61.476 -84.702  -4.313
  198   1HG   GLU  24           HG2      GLU  24  60.123 -85.104  -6.983
  199   2HG   GLU  24           HG1      GLU  24  61.875 -85.121  -6.861
  200    H    ASN  25           HN       ASN  25  59.686 -85.333  -2.438
  201    HA   ASN  25           HA       ASN  25  58.819 -87.933  -3.243
  202   1HB   ASN  25           HB2      ASN  25  59.071 -86.645  -0.519
  203   2HB   ASN  25           HB1      ASN  25  58.509 -88.304  -0.731
  204   1HD2  ASN  25          HD21      ASN  25  60.124 -89.619  -2.321
  205   2HD2  ASN  25          HD22      ASN  25  61.770 -89.410  -1.970
  206    H    VAL  26           HN       VAL  26  57.183 -85.170  -1.760
  207    HA   VAL  26           HA       VAL  26  54.673 -86.460  -1.365
  208    HB   VAL  26           HB       VAL  26  55.345 -83.534  -1.803
  209   1HG1  VAL  26          HG11      VAL  26  53.043 -83.777  -2.369
  210   2HG1  VAL  26          HG12      VAL  26  53.063 -83.213  -0.698
  211   3HG1  VAL  26          HG13      VAL  26  52.764 -84.915  -1.051
  212   1HG2  VAL  26          HG21      VAL  26  55.027 -83.389   0.647
  213   2HG2  VAL  26          HG22      VAL  26  56.328 -84.505   0.232
  214   3HG2  VAL  26          HG23      VAL  26  54.748 -85.129   0.708
  215    H    LYS  27           HN       LYS  27  55.958 -84.634  -4.162
  216    HA   LYS  27           HA       LYS  27  53.620 -84.709  -5.722
  217   1HB   LYS  27           HB2      LYS  27  56.510 -84.882  -6.619
  218   2HB   LYS  27           HB1      LYS  27  55.134 -84.588  -7.671
  219   1HG   LYS  27           HG2      LYS  27  54.758 -82.524  -5.930
  220   2HG   LYS  27           HG1      LYS  27  56.532 -82.705  -5.814
  221   1HD   LYS  27           HD2      LYS  27  56.575 -82.725  -8.329
  222   2HD   LYS  27           HD1      LYS  27  54.905 -82.182  -8.277
  223   1HE   LYS  27           HE2      LYS  27  55.491 -80.063  -7.589
  224   2HE   LYS  27           HE1      LYS  27  56.805 -80.640  -6.564
  225   1HZ   LYS  27           HZ1      LYS  27  58.179 -80.950  -8.462
  226   2HZ   LYS  27           HZ2      LYS  27  57.532 -79.381  -8.549
  227   3HZ   LYS  27           HZ3      LYS  27  56.902 -80.619  -9.527
  228    H    ALA  28           HN       ALA  28  56.280 -87.013  -5.296
  229    HA   ALA  28           HA       ALA  28  55.512 -88.815  -7.316
  230   1HB   ALA  28           HB1      ALA  28  56.883 -90.482  -6.026
  231   2HB   ALA  28           HB2      ALA  28  57.093 -89.253  -4.778
  232   3HB   ALA  28           HB3      ALA  28  57.724 -88.978  -6.402
  233    H    LYS  29           HN       LYS  29  54.550 -88.532  -3.935
  234    HA   LYS  29           HA       LYS  29  53.086 -90.973  -3.826
  235   1HB   LYS  29           HB2      LYS  29  52.831 -88.396  -2.257
  236   2HB   LYS  29           HB1      LYS  29  51.876 -89.835  -1.916
  237   1HG   LYS  29           HG2      LYS  29  53.952 -91.122  -1.527
  238   2HG   LYS  29           HG1      LYS  29  54.905 -89.673  -1.864
  239   1HD   LYS  29           HD2      LYS  29  53.753 -88.499  -0.011
  240   2HD   LYS  29           HD1      LYS  29  52.855 -89.971   0.348
  241   1HE   LYS  29           HE2      LYS  29  54.927 -89.488   1.754
  242   2HE   LYS  29           HE1      LYS  29  54.813 -91.127   1.035
  243   1HZ   LYS  29           HZ1      LYS  29  56.335 -88.831  -0.078
  244   2HZ   LYS  29           HZ2      LYS  29  56.242 -90.391  -0.747
  245   3HZ   LYS  29           HZ3      LYS  29  57.017 -90.147   0.746
  246    H    ILE  30           HN       ILE  30  52.276 -87.650  -4.775
  247    HA   ILE  30           HA       ILE  30  49.472 -88.078  -5.166
  248    HB   ILE  30           HB       ILE  30  51.377 -85.995  -6.255
  249   1HG1  ILE  30          HG12      ILE  30  49.209 -86.007  -4.121
  250   2HG1  ILE  30          HG11      ILE  30  50.950 -85.937  -3.841
  251   1HG2  ILE  30          HG21      ILE  30  49.199 -84.804  -6.884
  252   2HG2  ILE  30          HG22      ILE  30  48.375 -86.333  -6.603
  253   3HG2  ILE  30          HG23      ILE  30  49.584 -86.204  -7.878
  254   1HD1  ILE  30          HD11      ILE  30  50.369 -83.692  -3.666
  255   2HD1  ILE  30          HD12      ILE  30  49.099 -83.820  -4.883
  256   3HD1  ILE  30          HD13      ILE  30  50.795 -83.789  -5.375
  257    H    GLN  31           HN       GLN  31  52.307 -88.401  -7.315
  258    HA   GLN  31           HA       GLN  31  50.919 -88.869  -9.716
  259   1HB   GLN  31           HB2      GLN  31  53.358 -88.493  -9.610
  260   2HB   GLN  31           HB1      GLN  31  53.558 -90.012  -8.736
  261   1HG   GLN  31           HG2      GLN  31  52.694 -91.246 -10.698
  262   2HG   GLN  31           HG1      GLN  31  52.463 -89.724 -11.557
  263   1HE2  GLN  31          HE21      GLN  31  54.108 -91.393 -12.890
  264   2HE2  GLN  31          HE22      GLN  31  55.741 -90.975 -12.689
  265    H    ASP  32           HN       ASP  32  52.049 -91.037  -7.195
  266    HA   ASP  32           HA       ASP  32  51.260 -93.460  -8.380
  267   1HB   ASP  32           HB2      ASP  32  52.728 -93.348  -6.411
  268   2HB   ASP  32           HB1      ASP  32  51.379 -92.769  -5.435
  269    H    LYS  33           HN       LYS  33  49.482 -91.203  -6.324
  270    HA   LYS  33           HA       LYS  33  47.138 -92.870  -6.191
  271   1HB   LYS  33           HB2      LYS  33  47.481 -89.950  -5.495
  272   2HB   LYS  33           HB1      LYS  33  46.145 -90.970  -4.976
  273   1HG   LYS  33           HG2      LYS  33  48.901 -91.922  -4.276
  274   2HG   LYS  33           HG1      LYS  33  48.300 -90.518  -3.398
  275   1HD   LYS  33           HD2      LYS  33  46.257 -91.775  -2.790
  276   2HD   LYS  33           HD1      LYS  33  46.890 -93.193  -3.630
  277   1HE   LYS  33           HE2      LYS  33  48.920 -93.058  -2.118
  278   2HE   LYS  33           HE1      LYS  33  48.060 -91.824  -1.196
  279   1HZ   LYS  33           HZ1      LYS  33  47.111 -93.478  -0.092
  280   2HZ   LYS  33           HZ2      LYS  33  47.746 -94.649  -1.146
  281   3HZ   LYS  33           HZ3      LYS  33  46.271 -93.887  -1.507
  282    H    GLU  34           HN       GLU  34  47.900 -89.875  -7.998
  283    HA   GLU  34           HA       GLU  34  45.231 -90.100  -9.271
  284   1HB   GLU  34           HB2      GLU  34  47.080 -87.768  -8.837
  285   2HB   GLU  34           HB1      GLU  34  45.592 -87.684  -9.783
  286   1HG   GLU  34           HG2      GLU  34  45.747 -88.737  -6.967
  287   2HG   GLU  34           HG1      GLU  34  45.370 -87.032  -7.303
  288    H    GLY  35           HN       GLY  35  48.537 -90.452 -10.136
  289   1HA   GLY  35           HA2      GLY  35  49.351 -91.164 -12.181
  290   2HA   GLY  35           HA1      GLY  35  47.757 -90.920 -12.885
  291    H    ILE  36           HN       ILE  36  48.800 -88.198 -11.199
  292    HA   ILE  36           HA       ILE  36  49.150 -86.691 -13.658
  293    HB   ILE  36           HB       ILE  36  49.415 -85.739 -10.806
  294   1HG1  ILE  36          HG12      ILE  36  46.895 -85.449 -12.453
  295   2HG1  ILE  36          HG11      ILE  36  47.163 -86.927 -11.539
  296   1HG2  ILE  36          HG21      ILE  36  50.261 -84.285 -12.715
  297   2HG2  ILE  36          HG22      ILE  36  48.982 -83.555 -11.746
  298   3HG2  ILE  36          HG23      ILE  36  48.607 -84.246 -13.321
  299   1HD1  ILE  36          HD11      ILE  36  47.112 -84.116 -10.413
  300   2HD1  ILE  36          HD12      ILE  36  47.506 -85.559  -9.480
  301   3HD1  ILE  36          HD13      ILE  36  45.895 -85.367 -10.168
  302    HA   PRO  37           HA       PRO  37  53.606 -87.490 -13.261
  303   1HB   PRO  37           HB2      PRO  37  53.910 -85.437 -15.405
  304   2HB   PRO  37           HB1      PRO  37  54.518 -87.104 -15.363
  305   1HG   PRO  37           HG2      PRO  37  52.435 -86.396 -16.901
  306   2HG   PRO  37           HG1      PRO  37  52.537 -87.987 -16.129
  307   1HD   PRO  37           HD2      PRO  37  50.851 -85.627 -15.333
  308   2HD   PRO  37           HD1      PRO  37  50.496 -87.372 -15.257
  309    HA   PRO  38           HA       PRO  38  54.600 -84.205 -10.368
  310   1HB   PRO  38           HB2      PRO  38  57.450 -84.853 -11.129
  311   2HB   PRO  38           HB1      PRO  38  56.739 -84.720  -9.512
  312   1HG   PRO  38           HG2      PRO  38  57.283 -87.090 -10.577
  313   2HG   PRO  38           HG1      PRO  38  55.830 -86.835  -9.589
  314   1HD   PRO  38           HD2      PRO  38  56.049 -87.155 -12.559
  315   2HD   PRO  38           HD1      PRO  38  54.741 -87.620 -11.445
  316    H    ASP  39           HN       ASP  39  56.141 -84.179 -13.559
  317    HA   ASP  39           HA       ASP  39  57.130 -81.523 -13.264
  318   1HB   ASP  39           HB2      ASP  39  57.641 -81.632 -15.623
  319   2HB   ASP  39           HB1      ASP  39  58.016 -83.189 -14.888
  320    H    GLN  40           HN       GLN  40  53.984 -82.722 -13.810
  321    HA   GLN  40           HA       GLN  40  53.077 -80.203 -15.053
  322   1HB   GLN  40           HB2      GLN  40  51.702 -82.866 -14.659
  323   2HB   GLN  40           HB1      GLN  40  50.888 -81.433 -15.284
  324   1HG   GLN  40           HG2      GLN  40  52.556 -81.283 -17.090
  325   2HG   GLN  40           HG1      GLN  40  53.312 -82.766 -16.520
  326   1HE2  GLN  40          HE21      GLN  40  52.032 -82.438 -19.155
  327   2HE2  GLN  40          HE22      GLN  40  50.742 -83.541 -19.204
  328    H    GLN  41           HN       GLN  41  53.574 -81.311 -12.017
  329    HA   GLN  41           HA       GLN  41  51.104 -80.119 -10.892
  330   1HB   GLN  41           HB2      GLN  41  53.155 -82.001  -9.761
  331   2HB   GLN  41           HB1      GLN  41  51.901 -81.253  -8.778
  332   1HG   GLN  41           HG2      GLN  41  50.185 -82.222 -10.285
  333   2HG   GLN  41           HG1      GLN  41  51.474 -83.018 -11.201
  334   1HE2  GLN  41          HE21      GLN  41  51.816 -85.128 -10.585
  335   2HE2  GLN  41          HE22      GLN  41  51.561 -85.743  -9.024
  336    H    ARG  42           HN       ARG  42  51.064 -78.474  -9.552
  337    HA   ARG  42           HA       ARG  42  53.572 -77.237  -8.591
  338   1HB   ARG  42           HB2      ARG  42  51.173 -75.956  -9.856
  339   2HB   ARG  42           HB1      ARG  42  52.158 -75.045  -8.718
  340   1HG   ARG  42           HG2      ARG  42  54.133 -75.452 -10.126
  341   2HG   ARG  42           HG1      ARG  42  53.143 -76.384 -11.250
  342   1HD   ARG  42           HD2      ARG  42  52.391 -73.551 -10.535
  343   2HD   ARG  42           HD1      ARG  42  53.588 -73.875 -11.790
  344    HE   ARG  42           HE       ARG  42  51.408 -75.475 -12.397
  345   1HH1  ARG  42          HH21      ARG  42  51.689 -72.145 -11.570
  346   2HH1  ARG  42          HH22      ARG  42  50.637 -71.593 -12.830
  347   1HH2  ARG  42          HH11      ARG  42  50.202 -74.745 -14.209
  348   2HH2  ARG  42          HH12      ARG  42  49.797 -73.066 -14.326
  349    H    LEU  43           HN       LEU  43  53.590 -77.190  -6.405
  350    HA   LEU  43           HA       LEU  43  51.018 -77.468  -4.962
  351   1HB   LEU  43           HB2      LEU  43  53.855 -78.118  -4.108
  352   2HB   LEU  43           HB1      LEU  43  52.408 -78.268  -3.105
  353    HG   LEU  43           HG       LEU  43  52.757 -79.714  -5.753
  354   1HD1  LEU  43          HD11      LEU  43  53.114 -81.725  -4.188
  355   2HD1  LEU  43          HD12      LEU  43  53.429 -80.541  -2.919
  356   3HD1  LEU  43          HD13      LEU  43  54.463 -80.602  -4.347
  357   1HD2  LEU  43          HD21      LEU  43  50.444 -79.641  -5.190
  358   2HD2  LEU  43          HD22      LEU  43  50.764 -79.846  -3.473
  359   3HD2  LEU  43          HD23      LEU  43  50.978 -81.200  -4.579
  360    H    ILE  44           HN       ILE  44  50.284 -75.913  -3.732
  361    HA   ILE  44           HA       ILE  44  52.081 -73.671  -2.978
  362    HB   ILE  44           HB       ILE  44  49.262 -73.646  -4.072
  363   1HG1  ILE  44          HG12      ILE  44  50.465 -71.508  -5.168
  364   2HG1  ILE  44          HG11      ILE  44  51.905 -72.426  -4.843
  365   1HG2  ILE  44          HG21      ILE  44  48.971 -72.296  -2.145
  366   2HG2  ILE  44          HG22      ILE  44  49.328 -71.139  -3.426
  367   3HG2  ILE  44          HG23      ILE  44  50.588 -71.604  -2.282
  368   1HD1  ILE  44          HD11      ILE  44  50.371 -74.361  -5.992
  369   2HD1  ILE  44          HD12      ILE  44  51.518 -73.343  -6.860
  370   3HD1  ILE  44          HD13      ILE  44  49.803 -72.919  -6.839
  371    H    PHE  45           HN       PHE  45  51.976 -72.936  -0.958
  372    HA   PHE  45           HA       PHE  45  49.835 -73.838   0.835
  373   1HB   PHE  45           HB2      PHE  45  51.581 -75.446   1.282
  374   2HB   PHE  45           HB1      PHE  45  52.790 -74.175   1.393
  375    HD1  PHE  45           HD1      PHE  45  52.928 -72.717   3.341
  376    HD2  PHE  45           HD2      PHE  45  49.903 -75.750   3.051
  377    HE1  PHE  45           HE1      PHE  45  52.414 -72.434   5.750
  378    HE2  PHE  45           HE2      PHE  45  49.390 -75.472   5.461
  379    HZ   PHE  45           HZ       PHE  45  50.646 -73.813   6.811
  380    H    ALA  46           HN       ALA  46  49.078 -72.200   1.976
  381    HA   ALA  46           HA       ALA  46  48.778 -70.058   2.698
  382   1HB   ALA  46           HB1      ALA  46  51.689 -70.152   3.454
  383   2HB   ALA  46           HB2      ALA  46  50.464 -71.095   4.303
  384   3HB   ALA  46           HB3      ALA  46  50.364 -69.335   4.284
  385    H    GLY  47           HN       GLY  47  49.299 -70.186  -0.051
  386   1HA   GLY  47           HA2      GLY  47  49.461 -68.548  -1.693
  387   2HA   GLY  47           HA1      GLY  47  50.067 -67.450  -0.472
  388    H    LYS  48           HN       LYS  48  52.080 -70.124  -0.291
  389    HA   LYS  48           HA       LYS  48  54.005 -68.858  -2.172
  390   1HB   LYS  48           HB2      LYS  48  54.576 -70.621   0.197
  391   2HB   LYS  48           HB1      LYS  48  55.765 -69.734  -0.736
  392   1HG   LYS  48           HG2      LYS  48  54.784 -67.590  -0.026
  393   2HG   LYS  48           HG1      LYS  48  53.543 -68.448   0.888
  394   1HD   LYS  48           HD2      LYS  48  55.287 -69.485   2.287
  395   2HD   LYS  48           HD1      LYS  48  56.533 -68.630   1.387
  396   1HE   LYS  48           HE2      LYS  48  55.697 -66.483   2.128
  397   2HE   LYS  48           HE1      LYS  48  54.284 -67.237   2.867
  398   1HZ   LYS  48           HZ1      LYS  48  55.545 -68.151   4.553
  399   2HZ   LYS  48           HZ2      LYS  48  56.285 -66.636   4.339
  400   3HZ   LYS  48           HZ3      LYS  48  56.999 -68.034   3.689
  401    H    GLN  49           HN       GLN  49  55.039 -70.058  -3.701
  402    HA   GLN  49           HA       GLN  49  54.029 -72.722  -4.260
  403   1HB   GLN  49           HB2      GLN  49  56.120 -70.993  -5.609
  404   2HB   GLN  49           HB1      GLN  49  55.636 -72.588  -6.187
  405   1HG   GLN  49           HG2      GLN  49  53.382 -71.865  -6.559
  406   2HG   GLN  49           HG1      GLN  49  53.671 -70.334  -5.736
  407   1HE2  GLN  49          HE21      GLN  49  52.902 -71.013  -8.653
  408   2HE2  GLN  49          HE22      GLN  49  54.038 -70.153  -9.577
  409    H    LEU  50           HN