*HEADER    METAL BINDING PROTEIN                   17-MAY-01   1J7P              
*TITLE     SOLUTION STRUCTURE OF CALCIUM CALMODULIN C-TERMINAL DOMAIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: AR58                                       
*KEYWDS    EF HANDS, HELIX BUNDLE, CALCIUM, DIPOLAR COUPLING                     
*EXPDTA    NMR, 3 STRUCTURES                                                     
*AUTHOR    J.J.CHOU, C.B.KLEE, A.BAX                                             
*REVDAT   2   31-MAR-09 1J7P    1       REMOVE NON ASCII CHARACTERS
*REVDAT   1   07-NOV-01 1J7P    0                                                

!Dipolar couplings measured in ~16mg/ml Pf1 at 10mM KCl, pH 7.0
!No buffer was used. The quadrapolar splitting of the liquid crystal
!is 18.3 Hz
! NH Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    N and segid AN1)
       ( resid    83 and name   HN and segid AN1) -8.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    N and segid AN1)
       ( resid    84 and name   HN and segid AN1)  8.6150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    N and segid AN1)
       ( resid    85 and name   HN and segid AN1)  5.9600  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    N and segid AN1)
       ( resid    86 and name   HN and segid AN1) -5.8350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    N and segid AN1)
       ( resid    87 and name   HN and segid AN1) -2.1700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    N and segid AN1)
       ( resid    88 and name   HN and segid AN1)  9.5260  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    N and segid AN1)
       ( resid    89 and name   HN and segid AN1)  1.9210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    N and segid AN1)
       ( resid    90 and name   HN and segid AN1) -10.0400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name    N and segid AN1)
       ( resid    91 and name   HN and segid AN1)  8.6830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    N and segid AN1)
       ( resid    92 and name   HN and segid AN1) 14.0250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    N and segid AN1)
       ( resid    93 and name   HN and segid AN1) -9.4440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    N and segid AN1)
       ( resid    94 and name   HN and segid AN1) -0.1860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    N and segid AN1)
       ( resid    95 and name   HN and segid AN1)  6.8960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    N and segid AN1)
       ( resid    96 and name   HN and segid AN1)  0.8570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    N and segid AN1)
       ( resid    97 and name   HN and segid AN1)  0.5240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    N and segid AN1)
       ( resid    98 and name   HN and segid AN1) -2.3040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    N and segid AN1)
       ( resid    99 and name   HN and segid AN1) 20.5230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name    N and segid AN1)
       ( resid   100 and name   HN and segid AN1) 19.9710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    N and segid AN1)
       ( resid   101 and name   HN and segid AN1)  7.6810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    N and segid AN1)
       ( resid   102 and name   HN and segid AN1) -12.9570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    N and segid AN1)
       ( resid   103 and name   HN and segid AN1) -9.7430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    N and segid AN1)
       ( resid   104 and name   HN and segid AN1) -2.0520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    N and segid AN1)
       ( resid   105 and name   HN and segid AN1) -12.7760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    N and segid AN1)
       ( resid   106 and name   HN and segid AN1) -11.6540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   107 and name    N and segid AN1)
       ( resid   107 and name   HN and segid AN1) -2.1050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    N and segid AN1)
       ( resid   108 and name   HN and segid AN1) -5.5340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    N and segid AN1)
       ( resid   109 and name   HN and segid AN1) -13.7360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    N and segid AN1)
       ( resid   110 and name   HN and segid AN1) -5.7400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    N and segid AN1)
       ( resid   111 and name   HN and segid AN1) -0.8690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    N and segid AN1)
       ( resid   112 and name   HN and segid AN1) -11.6160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    N and segid AN1)
       ( resid   113 and name   HN and segid AN1) -0.2810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name    N and segid AN1)
       ( resid   114 and name   HN and segid AN1)  1.7120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    N and segid AN1)
       ( resid   115 and name   HN and segid AN1)  3.7710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    N and segid AN1)
       ( resid   116 and name   HN and segid AN1)  4.6900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    N and segid AN1)
       ( resid   117 and name   HN and segid AN1) 17.1370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    N and segid AN1)
       ( resid   118 and name   HN and segid AN1)  9.0800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    N and segid AN1)
       ( resid   119 and name   HN and segid AN1)  3.1220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name    N and segid AN1)
       ( resid   120 and name   HN and segid AN1) 12.8240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name    N and segid AN1)
       ( resid   121 and name   HN and segid AN1)  7.2450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    N and segid AN1)
       ( resid   122 and name   HN and segid AN1)  3.3640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name    N and segid AN1)
       ( resid   123 and name   HN and segid AN1)  4.8590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    N and segid AN1)
       ( resid   124 and name   HN and segid AN1) 14.1900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    N and segid AN1)
       ( resid   125 and name   HN and segid AN1)  4.9390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    N and segid AN1)
       ( resid   126 and name   HN and segid AN1)  4.0650  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    N and segid AN1)
       ( resid   127 and name   HN and segid AN1)  9.6410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    N and segid AN1)
       ( resid   128 and name   HN and segid AN1) 11.9850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    N and segid AN1)
       ( resid   129 and name   HN and segid AN1) -3.0390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name    N and segid AN1)
       ( resid   130 and name   HN and segid AN1) -9.3180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    N and segid AN1)
       ( resid   131 and name   HN and segid AN1) -0.1250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    N and segid AN1)
       ( resid   132 and name   HN and segid AN1) -12.0230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    N and segid AN1)
       ( resid   133 and name   HN and segid AN1) -9.8560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    N and segid AN1)
       ( resid   134 and name   HN and segid AN1) 16.9350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    N and segid AN1)
       ( resid   135 and name   HN and segid AN1) 10.4980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    N and segid AN1)
       ( resid   136 and name   HN and segid AN1) 17.2940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    N and segid AN1)
       ( resid   137 and name   HN and segid AN1) 12.4050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    N and segid AN1)
       ( resid   138 and name   HN and segid AN1)  4.4850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    N and segid AN1)
       ( resid   139 and name   HN and segid AN1) -4.8260  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    N and segid AN1)
       ( resid   140 and name   HN and segid AN1)  5.7600  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    N and segid AN1)
       ( resid   141 and name   HN and segid AN1)  5.3290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name    N and segid AN1)
       ( resid   142 and name   HN and segid AN1) -0.7180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    N and segid AN1)
       ( resid   143 and name   HN and segid AN1) -4.0540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    N and segid AN1)
       ( resid   144 and name   HN and segid AN1)  5.6100  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    N and segid AN1)
       ( resid   145 and name   HN and segid AN1)  2.0070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   146 and name    N and segid AN1)
       ( resid   146 and name   HN and segid AN1) -11.8860  1.0000  1.0000

! CAHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name   CA and segid AN1)
       ( resid    83 and name   HA and segid AN1) -9.8750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name   CA and segid AN1)
       ( resid    84 and name   HA and segid AN1) 22.2420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name   CA and segid AN1)
       ( resid    85 and name   HA and segid AN1) -1.1630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name   CA and segid AN1)
       ( resid    86 and name   HA and segid AN1) -36.4280  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name   CA and segid AN1)
       ( resid    87 and name   HA and segid AN1) 15.1480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name   CA and segid AN1)
       ( resid    88 and name   HA and segid AN1) 27.2610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name   CA and segid AN1)
       ( resid    89 and name   HA and segid AN1) -20.6630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name   CA and segid AN1)
       ( resid    90 and name   HA and segid AN1) -29.8610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name   CA and segid AN1)
       ( resid    91 and name   HA and segid AN1) 32.3820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name   CA and segid AN1)
       ( resid    92 and name   HA and segid AN1) 18.7220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name   CA and segid AN1)
       ( resid    94 and name   HA and segid AN1) -34.8740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name   CA and segid AN1)
       ( resid    95 and name   HA and segid AN1) 28.5980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name   CA and segid AN1)
       ( resid    96 and name   HA# and segid AN1)  8.9290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name   CA and segid AN1)
       ( resid    97 and name   HA and segid AN1) -0.2490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name   CA and segid AN1)
       ( resid    98 and name   HA# and segid AN1) -35.0010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name   CA and segid AN1)
       ( resid    99 and name   HA and segid AN1) 30.2670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name   CA and segid AN1)
       ( resid   100 and name   HA and segid AN1) 38.4570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name   CA and segid AN1)
       ( resid   101 and name   HA and segid AN1)  7.8490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name   CA and segid AN1)
       ( resid   102 and name   HA and segid AN1)  4.5450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name   CA and segid AN1)
       ( resid   103 and name   HA and segid AN1) -0.0200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name   CA and segid AN1)
       ( resid   104 and name   HA and segid AN1) 33.7360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name   CA and segid AN1)
       ( resid   105 and name   HA and segid AN1) -30.9290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name   CA and segid AN1)
       ( resid   106 and name   HA and segid AN1) 22.0060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name   CA and segid AN1)
       ( resid   108 and name   HA and segid AN1)  1.3250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name   CA and segid AN1)
       ( resid   109 and name   HA and segid AN1) -14.7190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name   CA and segid AN1)
       ( resid   110 and name   HA and segid AN1)  7.3440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name   CA and segid AN1)
       ( resid   111 and name   HA and segid AN1)  6.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name   CA and segid AN1)
       ( resid   112 and name   HA and segid AN1) -31.4150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name   CA and segid AN1)
       ( resid   113 and name   HA# and segid AN1)  0.4110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name   CA and segid AN1)
       ( resid   114 and name   HA and segid AN1)  8.9150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name   CA and segid AN1)
       ( resid   115 and name   HA and segid AN1)  8.3850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name   CA and segid AN1)
       ( resid   116 and name   HA and segid AN1) 19.4730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name   CA and segid AN1)
       ( resid   117 and name   HA and segid AN1) 33.3070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name   CA and segid AN1)
       ( resid   118 and name   HA and segid AN1) -19.2270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name   CA and segid AN1)
       ( resid   120 and name   HA and segid AN1) 40.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CA and segid AN1)
       ( resid   121 and name   HA and segid AN1) -18.2460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name   CA and segid AN1)
       ( resid   122 and name   HA and segid AN1)  2.1440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name   CA and segid AN1)
       ( resid   123 and name   HA and segid AN1) -9.0130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name   CA and segid AN1)
       ( resid   124 and name   HA and segid AN1) 21.6110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CA and segid AN1)
       ( resid   125 and name   HA and segid AN1) -31.3720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name   CA and segid AN1)
       ( resid   126 and name   HA and segid AN1) -7.4370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name   CA and segid AN1)
       ( resid   127 and name   HA and segid AN1)  8.4310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name   CA and segid AN1)
       ( resid   128 and name   HA and segid AN1) 18.4010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name   CA and segid AN1)
       ( resid   129 and name   HA and segid AN1) -2.8960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CA and segid AN1)
       ( resid   130 and name   HA and segid AN1)  6.4230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name   CA and segid AN1)
       ( resid   131 and name   HA and segid AN1) 35.0150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name   CA and segid AN1)
       ( resid   133 and name   HA and segid AN1) -39.1040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name   CA and segid AN1)
       ( resid   134 and name   HA# and segid AN1)  7.8090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name   CA and segid AN1)
       ( resid   135 and name   HA and segid AN1)  6.4080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name   CA and segid AN1)
       ( resid   136 and name   HA and segid AN1) 28.8320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name   CA and segid AN1)
       ( resid   137 and name   HA and segid AN1) 40.4960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name   CA and segid AN1)
       ( resid   138 and name   HA and segid AN1)  1.5120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name   CA and segid AN1)
       ( resid   139 and name   HA and segid AN1) -30.3990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name   CA and segid AN1)
       ( resid   140 and name   HA and segid AN1) 34.8300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name   CA and segid AN1)
       ( resid   141 and name   HA and segid AN1) -8.4570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CA and segid AN1)
       ( resid   142 and name   HA and segid AN1) -19.0300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name   CA and segid AN1)
       ( resid   143 and name   HA and segid AN1) -1.3050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name   CA and segid AN1)
       ( resid   144 and name   HA and segid AN1) 11.9790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   146 and name   CA and segid AN1)
       ( resid   146 and name   HA and segid AN1) -26.2070  1.0000  1.0000

! COCA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    82 and name    C and segid AN1)
       ( resid    82 and name   CA and segid AN1)  3.6950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    C and segid AN1)
       ( resid    83 and name   CA and segid AN1)  0.1110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    C and segid AN1)
       ( resid    84 and name   CA and segid AN1) -4.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    C and segid AN1)
       ( resid    85 and name   CA and segid AN1)  1.2790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    C and segid AN1)
       ( resid    86 and name   CA and segid AN1)  3.5570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    C and segid AN1)
       ( resid    87 and name   CA and segid AN1) -1.6330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    C and segid AN1)
       ( resid    88 and name   CA and segid AN1) -3.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    C and segid AN1)
       ( resid    89 and name   CA and segid AN1)  3.6370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    C and segid AN1)
       ( resid    90 and name   CA and segid AN1)  1.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name    C and segid AN1)
       ( resid    91 and name   CA and segid AN1) -3.1820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    C and segid AN1)
       ( resid    92 and name   CA and segid AN1) -1.3400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    C and segid AN1)
       ( resid    93 and name   CA and segid AN1)  3.7950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    C and segid AN1)
       ( resid    94 and name   CA and segid AN1)  0.4040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    C and segid AN1)
       ( resid    95 and name   CA and segid AN1)  0.5140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    C and segid AN1)
       ( resid    96 and name   CA and segid AN1) -0.7050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    C and segid AN1)
       ( resid    97 and name   CA and segid AN1)  4.1740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    C and segid AN1)
       ( resid    98 and name   CA and segid AN1)  0.3960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    C and segid AN1)
       ( resid    99 and name   CA and segid AN1)  0.7660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name    C and segid AN1)
       ( resid   100 and name   CA and segid AN1) -3.2770  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    C and segid AN1)
       ( resid   101 and name   CA and segid AN1)  0.0640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    C and segid AN1)
       ( resid   102 and name   CA and segid AN1)  2.4750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    C and segid AN1)
       ( resid   103 and name   CA and segid AN1) -3.1230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    C and segid AN1)
       ( resid   104 and name   CA and segid AN1)  0.6390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    C and segid AN1)
       ( resid   105 and name   CA and segid AN1)  0.5800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    C and segid AN1)
       ( resid   106 and name   CA and segid AN1)  0.4610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   107 and name    C and segid AN1)
       ( resid   107 and name   CA and segid AN1) -2.4940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    C and segid AN1)
       ( resid   108 and name   CA and segid AN1)  0.2130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    C and segid AN1)
       ( resid   109 and name   CA and segid AN1)  1.6210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    C and segid AN1)
       ( resid   110 and name   CA and segid AN1) -2.2950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    C and segid AN1)
       ( resid   111 and name   CA and segid AN1) -0.6190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    C and segid AN1)
       ( resid   112 and name   CA and segid AN1) -0.1720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    C and segid AN1)
       ( resid   113 and name   CA and segid AN1) -0.2870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name    C and segid AN1)
       ( resid   114 and name   CA and segid AN1) -1.5450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    C and segid AN1)
       ( resid   115 and name   CA and segid AN1) -0.3480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    C and segid AN1)
       ( resid   116 and name   CA and segid AN1) -2.2190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    C and segid AN1)
       ( resid   117 and name   CA and segid AN1)  0.1270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    C and segid AN1)
       ( resid   118 and name   CA and segid AN1)  3.7990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    C and segid AN1)
       ( resid   119 and name   CA and segid AN1) -1.5980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name    C and segid AN1)
       ( resid   120 and name   CA and segid AN1) -0.2150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name    C and segid AN1)
       ( resid   121 and name   CA and segid AN1) -0.6580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    C and segid AN1)
       ( resid   122 and name   CA and segid AN1)  3.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name    C and segid AN1)
       ( resid   123 and name   CA and segid AN1) -2.4800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    C and segid AN1)
       ( resid   124 and name   CA and segid AN1) -0.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    C and segid AN1)
       ( resid   125 and name   CA and segid AN1)  1.4550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    C and segid AN1)
       ( resid   126 and name   CA and segid AN1)  1.2380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    C and segid AN1)
       ( resid   127 and name   CA and segid AN1) -1.5490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    C and segid AN1)
       ( resid   128 and name   CA and segid AN1) -0.8590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    C and segid AN1)
       ( resid   129 and name   CA and segid AN1)  2.3540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name    C and segid AN1)
       ( resid   130 and name   CA and segid AN1) -2.0840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    C and segid AN1)
       ( resid   131 and name   CA and segid AN1) -1.5860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    C and segid AN1)
       ( resid   132 and name   CA and segid AN1)  3.3420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    C and segid AN1)
       ( resid   133 and name   CA and segid AN1)  1.8870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    C and segid AN1)
       ( resid   134 and name   CA and segid AN1) -1.9280  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    C and segid AN1)
       ( resid   135 and name   CA and segid AN1) -0.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    C and segid AN1)
       ( resid   136 and name   CA and segid AN1) -1.0140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    C and segid AN1)
       ( resid   137 and name   CA and segid AN1) -2.7540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    C and segid AN1)
       ( resid   138 and name   CA and segid AN1)  4.0490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    C and segid AN1)
       ( resid   139 and name   CA and segid AN1) -0.1880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    C and segid AN1)
       ( resid   140 and name   CA and segid AN1) -1.1110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    C and segid AN1)
       ( resid   141 and name   CA and segid AN1) -0.9820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name    C and segid AN1)
       ( resid   142 and name   CA and segid AN1)  2.4510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    C and segid AN1)
       ( resid   143 and name   CA and segid AN1)  0.1250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    C and segid AN1)
       ( resid   144 and name   CA and segid AN1) -3.0470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    C and segid AN1)
       ( resid   145 and name   CA and segid AN1)  0.0270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   146 and name    C and segid AN1)
       ( resid   146 and name   CA and segid AN1)  1.3910  1.0000  1.0000

! NC' Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    82 and name    C and segid AN1)
       ( resid    83 and name    N and segid AN1) -1.4240  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    C and segid AN1)
       ( resid    84 and name    N and segid AN1)  0.4240  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    C and segid AN1)
       ( resid    85 and name    N and segid AN1)  1.2760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    C and segid AN1)
       ( resid    86 and name    N and segid AN1) -0.2060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    C and segid AN1)
       ( resid    87 and name    N and segid AN1) -1.7440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    C and segid AN1)
       ( resid    88 and name    N and segid AN1)  1.4160  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    C and segid AN1)
       ( resid    89 and name    N and segid AN1)  0.5160  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    C and segid AN1)
       ( resid    90 and name    N and segid AN1) -1.0420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    C and segid AN1)
       ( resid    91 and name    N and segid AN1) -0.1600  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    C and segid AN1)
       ( resid    93 and name    N and segid AN1) -0.1760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    C and segid AN1)
       ( resid    94 and name    N and segid AN1)  0.3920  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    C and segid AN1)
       ( resid    95 and name    N and segid AN1) -1.5580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    C and segid AN1)
       ( resid    96 and name    N and segid AN1)  0.6160  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    C and segid AN1)
       ( resid    97 and name    N and segid AN1) -1.6820  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    C and segid AN1)
       ( resid    98 and name    N and segid AN1) -1.0960  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    C and segid AN1)
       ( resid    99 and name    N and segid AN1) -0.3240  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    C and segid AN1)
       ( resid   100 and name    N and segid AN1)  1.1080  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name    C and segid AN1)
       ( resid   101 and name    N and segid AN1)  1.5480  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    C and segid AN1)
       ( resid   102 and name    N and segid AN1) -1.6540  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    C and segid AN1)
       ( resid   103 and name    N and segid AN1)  1.4440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    C and segid AN1)
       ( resid   104 and name    N and segid AN1) -0.2160  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    C and segid AN1)
       ( resid   105 and name    N and segid AN1)  1.3420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    C and segid AN1)
       ( resid   106 and name    N and segid AN1) -0.8900  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    C and segid AN1)
       ( resid   107 and name    N and segid AN1)  0.6840  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   107 and name    C and segid AN1)
       ( resid   108 and name    N and segid AN1)  1.2700  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    C and segid AN1)
       ( resid   109 and name    N and segid AN1) -0.7260  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    C and segid AN1)
       ( resid   110 and name    N and segid AN1)  0.8420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    C and segid AN1)
       ( resid   111 and name    N and segid AN1)  0.2000  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    C and segid AN1)
       ( resid   112 and name    N and segid AN1)  2.0840  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    C and segid AN1)
       ( resid   114 and name    N and segid AN1) -0.2460  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    C and segid AN1)
       ( resid   116 and name    N and segid AN1) -0.5580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    C and segid AN1)
       ( resid   117 and name    N and segid AN1) -0.5640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    C and segid AN1)
       ( resid   118 and name    N and segid AN1) -1.3560  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    C and segid AN1)
       ( resid   119 and name    N and segid AN1)  0.2300  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name    C and segid AN1)
       ( resid   121 and name    N and segid AN1)  1.7620  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name    C and segid AN1)
       ( resid   122 and name    N and segid AN1) -2.1420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    C and segid AN1)
       ( resid   123 and name    N and segid AN1)  0.3780  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name    C and segid AN1)
       ( resid   124 and name    N and segid AN1) -0.2760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    C and segid AN1)
       ( resid   125 and name    N and segid AN1)  0.1920  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    C and segid AN1)
       ( resid   126 and name    N and segid AN1) -0.9920  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    C and segid AN1)
       ( resid   127 and name    N and segid AN1) -1.1680  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    C and segid AN1)
       ( resid   128 and name    N and segid AN1)  1.5240  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    C and segid AN1)
       ( resid   129 and name    N and segid AN1) -1.8280  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    C and segid AN1)
       ( resid   130 and name    N and segid AN1) -0.0380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name    C and segid AN1)
       ( resid   131 and name    N and segid AN1)  1.5420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    C and segid AN1)
       ( resid   132 and name    N and segid AN1)  0.0380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    C and segid AN1)
       ( resid   134 and name    N and segid AN1)  0.0220  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    C and segid AN1)
       ( resid   135 and name    N and segid AN1) -1.0980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    C and segid AN1)
       ( resid   136 and name    N and segid AN1) -2.2180  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    C and segid AN1)
       ( resid   137 and name    N and segid AN1)  1.0540  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    C and segid AN1)
       ( resid   138 and name    N and segid AN1) -1.2420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    C and segid AN1)
       ( resid   139 and name    N and segid AN1)  0.4380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    C and segid AN1)
       ( resid   140 and name    N and segid AN1) -1.2980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    C and segid AN1)
       ( resid   141 and name    N and segid AN1)  1.3120  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    C and segid AN1)
       ( resid   142 and name    N and segid AN1)  0.2200  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name    C and segid AN1)
       ( resid   143 and name    N and segid AN1) -1.3520  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    C and segid AN1)
       ( resid   144 and name    N and segid AN1)  1.3980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    C and segid AN1)
       ( resid   145 and name    N and segid AN1) -0.9080  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    C and segid AN1)
       ( resid   146 and name    N and segid AN1)  0.2240  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   146 and name    C and segid AN1)
       ( resid   147 and name    N and segid AN1) -1.5940  0.1200  0.1200

! COHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    82 and name    C and segid AN1)
       ( resid    82 and name   HA and segid AN1)  2.6420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    C and segid AN1)
       ( resid    83 and name   HA and segid AN1)  0.0920  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    C and segid AN1)
       ( resid    84 and name   HA and segid AN1) -2.5310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    C and segid AN1)
       ( resid    85 and name   HA and segid AN1)  0.4820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    C and segid AN1)
       ( resid    86 and name   HA and segid AN1)  0.9180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    C and segid AN1)
       ( resid    87 and name   HA and segid AN1) -0.5390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    C and segid AN1)
       ( resid    88 and name   HA and segid AN1) -2.6670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    C and segid AN1)
       ( resid    89 and name   HA and segid AN1)  2.4530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    C and segid AN1)
       ( resid    90 and name   HA and segid AN1)  0.0780  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    C and segid AN1)
       ( resid    92 and name   HA and segid AN1) -1.5930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    C and segid AN1)
       ( resid    93 and name   HA and segid AN1)  0.5050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    C and segid AN1)
       ( resid    94 and name   HA and segid AN1) -2.8870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    C and segid AN1)
       ( resid    95 and name   HA and segid AN1)  3.5590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    C and segid AN1)
       ( resid    96 and name   HA and segid AN1)  1.8340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    C and segid AN1)
       ( resid    97 and name   HA and segid AN1)  4.5530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    C and segid AN1)
       ( resid    98 and name   HA and segid AN1) -3.6310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    C and segid AN1)
       ( resid    99 and name   HA and segid AN1)  3.4320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   101 and name    C and segid AN1)
       ( resid   101 and name   HA and segid AN1) -0.8370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   102 and name    C and segid AN1)
       ( resid   102 and name   HA and segid AN1)  4.9020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   103 and name    C and segid AN1)
       ( resid   103 and name   HA and segid AN1) -3.6950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name    C and segid AN1)
       ( resid   104 and name   HA and segid AN1)  4.2430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name    C and segid AN1)
       ( resid   105 and name   HA and segid AN1)  0.1190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   106 and name    C and segid AN1)
       ( resid   106 and name   HA and segid AN1)  3.4180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   107 and name    C and segid AN1)
       ( resid   107 and name   HA and segid AN1) -0.6190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   108 and name    C and segid AN1)
       ( resid   108 and name   HA and segid AN1)  2.3410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name    C and segid AN1)
       ( resid   109 and name   HA and segid AN1)  1.8490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   110 and name    C and segid AN1)
       ( resid   110 and name   HA and segid AN1) -1.0450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   111 and name    C and segid AN1)
       ( resid   111 and name   HA and segid AN1)  2.0350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   112 and name    C and segid AN1)
       ( resid   112 and name   HA and segid AN1)  0.2110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   113 and name    C and segid AN1)
       ( resid   113 and name   HA and segid AN1)  1.6700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   114 and name    C and segid AN1)
       ( resid   114 and name   HA and segid AN1) -1.7730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   115 and name    C and segid AN1)
       ( resid   115 and name   HA and segid AN1)  1.8090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   116 and name    C and segid AN1)
       ( resid   116 and name   HA and segid AN1)  1.0640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name    C and segid AN1)
       ( resid   117 and name   HA and segid AN1)  1.7750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name    C and segid AN1)
       ( resid   118 and name   HA and segid AN1)  1.9080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   119 and name    C and segid AN1)
       ( resid   119 and name   HA and segid AN1) -3.4710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name    C and segid AN1)
       ( resid   120 and name   HA and segid AN1)  1.7060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name    C and segid AN1)
       ( resid   121 and name   HA and segid AN1) -4.7640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   122 and name    C and segid AN1)
       ( resid   122 and name   HA and segid AN1)  3.8460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   123 and name    C and segid AN1)
       ( resid   123 and name   HA and segid AN1) -5.4390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name    C and segid AN1)
       ( resid   124 and name   HA and segid AN1)  0.9970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name    C and segid AN1)
       ( resid   125 and name   HA and segid AN1) -1.7490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   126 and name    C and segid AN1)
       ( resid   126 and name   HA and segid AN1)  0.5160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   127 and name    C and segid AN1)
       ( resid   127 and name   HA and segid AN1) -1.7560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   128 and name    C and segid AN1)
       ( resid   128 and name   HA and segid AN1) -0.9350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   129 and name    C and segid AN1)
       ( resid   129 and name   HA and segid AN1)  0.7970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name    C and segid AN1)
       ( resid   130 and name   HA and segid AN1)  0.0490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   131 and name    C and segid AN1)
       ( resid   131 and name   HA and segid AN1)  3.5610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   132 and name    C and segid AN1)
       ( resid   132 and name   HA and segid AN1) -0.9950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   133 and name    C and segid AN1)
       ( resid   133 and name   HA and segid AN1) -0.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   134 and name    C and segid AN1)
       ( resid   134 and name   HA and segid AN1)  3.1520  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   135 and name    C and segid AN1)
       ( resid   135 and name   HA and segid AN1)  1.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name    C and segid AN1)
       ( resid   136 and name   HA and segid AN1)  1.5980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name    C and segid AN1)
       ( resid   137 and name   HA and segid AN1)  1.2360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name    C and segid AN1)
       ( resid   138 and name   HA and segid AN1)  4.6350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name    C and segid AN1)
       ( resid   139 and name   HA and segid AN1) -3.0970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name    C and segid AN1)
       ( resid   140 and name   HA and segid AN1)  1.7870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name    C and segid AN1)
       ( resid   141 and name   HA and segid AN1) -1.4310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name    C and segid AN1)
       ( resid   142 and name   HA and segid AN1)  1.2580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   143 and name    C and segid AN1)
       ( resid   143 and name   HA and segid AN1)  0.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name    C and segid AN1)
       ( resid   144 and name   HA and segid AN1) -3.1130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name    C and segid AN1)
       ( resid   145 and name   HA and segid AN1)  1.8750  1.0000  1.0000

!CBHB Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name   CB and segid AN1)
       ( resid    84 and name  HB# and segid AN1) 15.188  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name   CB and segid AN1)
       ( resid    86 and name  HB# and segid AN1) -0.3740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name   CB and segid AN1)
       ( resid    89 and name  HB# and segid AN1) 17.1680  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name   CB and segid AN1)
       ( resid    92 and name  HB# and segid AN1) -33.781  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name   CB and segid AN1)
       ( resid    99 and name  HB# and segid AN1) 37.8010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name   CB and segid AN1)
       ( resid   100 and name   HB and segid AN1) 31.8310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   104 and name   CB and segid AN1)
       ( resid   104 and name  HB# and segid AN1) -21.5920  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   105 and name   CB and segid AN1)
       ( resid   105 and name  HB# and segid AN1) -23.3950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   109 and name   CB and segid AN1)
       ( resid   109 and name  HB# and segid AN1) -16.1190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   117 and name   CB and segid AN1)
       ( resid   117 and name   HB and segid AN1) -18.6030  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   118 and name   CB and segid AN1)
       ( resid   118 and name  HB# and segid AN1) -16.6470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   120 and name   CB and segid AN1)
       ( resid   120 and name  HB# and segid AN1) 17.8320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name   HB and segid AN1) -24.0230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   124 and name   CB and segid AN1)
       ( resid   124 and name  HB# and segid AN1) 12.2660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name   HB and segid AN1) -11.879  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CB and segid AN1)
       ( resid   130 and name   HB and segid AN1) 12.7490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   136 and name   CB and segid AN1)
       ( resid   136 and name   HB and segid AN1) 22.7090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   137 and name   CB and segid AN1)
       ( resid   137 and name  HB# and segid AN1) -24.153  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   138 and name   CB and segid AN1)
       ( resid   138 and name  HB# and segid AN1) 40.8540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   139 and name   CB and segid AN1)
       ( resid   139 and name  HB# and segid AN1) -0.388  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   140 and name   CB and segid AN1)
       ( resid   140 and name  HB# and segid AN1) 33.1460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   141 and name   CB and segid AN1)
       ( resid   141 and name  HB# and segid AN1) -23.810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CB and segid AN1)
       ( resid   142 and name   HB and segid AN1) -16.442  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   144 and name   CB and segid AN1)
       ( resid   144 and name  HB# and segid AN1) -25.7160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   145 and name   CB and segid AN1)
       ( resid   145 and name  HB# and segid AN1) -16.175  1.0000  1.0000

!Couplings derived from Methyl CH3 dipolar couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name   CB and segid AN1)
       ( resid    91 and name  CG1 and segid AN1) -0.327  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name   CB and segid AN1)
       ( resid    91 and name  CG2 and segid AN1) -2.020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   100 and name   CB and segid AN1)
       ( resid   100 and name  CG2 and segid AN1)  1.027  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name  CG1 and segid AN1) -0.320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   121 and name   CB and segid AN1)
       ( resid   121 and name  CG2 and segid AN1) -0.830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name  CG2 and segid AN1) -0.703  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   125 and name   CB and segid AN1)
       ( resid   125 and name  CD1 and segid AN1)  0.401  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   130 and name   CB and segid AN1)
       ( resid   130 and name  CD1 and segid AN1) -1.138  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid   142 and name   CB and segid AN1)
       ( resid   142 and name  CG1 and segid AN1)  0.050  1.0000  1.0000

! H-Bond restraints for the known secondary elements
! Helix V
assign (segid AN1 and resid 83 and name      O) (segid AN1 and resid 87 and name     HN) 1.90 0.20 0.20
assign (segid AN1 and resid 83 and name      O) (segid AN1 and resid 87 and name      N) 2.90 0.20 0.20
assign (segid AN1 and resid 84 and name      O) (segid AN1 and resid 88 and name     HN) 1.90 0.20 0.20
assign (segid AN1 and resid 84 and name      O) (segid AN1 and resid 88 and name      N) 2.90 0.20 0.20
assign (segid AN1 and resid 85 and name      O) (segid AN1 and resid 89 and name     HN) 1.90 0.20 0.20
assign (segid AN1 and resid 85 and name      O) (segid AN1 and resid 89 and name      N) 2.90 0.20 0.20
assign (segid AN1 and resid 86 and name      O) (segid AN1 and resid 90 and name     HN) 1.90 0.20 0.20
assign (segid AN1 and resid 86 and name      O) (segid AN1 and resid 90 and name      N) 2.90 0.20 0.20
assign (segid AN1 and resid 87 and name      O) (segid AN1 and resid 91 and name     HN) 1.90 0.20 0.20
assign (segid AN1 and resid 87 and name      O) (segid AN1 and resid 91 and name      N) 2.90 0.20 0.20
! Helix VI
assign (segid AN1 and resid 102 and name     O) (segid AN1 and resid 106 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 102 and name     O) (segid AN1 and resid 106 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 103 and name     O) (segid AN1 and resid 107 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 103 and name     O) (segid AN1 and resid 107 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 104 and name     O) (segid AN1 and resid 108 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 104 and name     O) (segid AN1 and resid 108 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 105 and name     O) (segid AN1 and resid 109 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 105 and name     O) (segid AN1 and resid 109 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 106 and name     O) (segid AN1 and resid 110 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 106 and name     O) (segid AN1 and resid 110 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 107 and name     O) (segid AN1 and resid 111 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 107 and name     O) (segid AN1 and resid 111 and name     N) 2.90 0.20 0.20
! Helix VII
assign (segid AN1 and resid 118 and name     O) (segid AN1 and resid 122 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 118 and name     O) (segid AN1 and resid 122 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 119 and name     O) (segid AN1 and resid 123 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 119 and name     O) (segid AN1 and resid 123 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 120 and name     O) (segid AN1 and resid 124 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 120 and name     O) (segid AN1 and resid 124 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 121 and name     O) (segid AN1 and resid 125 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 121 and name     O) (segid AN1 and resid 125 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 122 and name     O) (segid AN1 and resid 126 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 122 and name     O) (segid AN1 and resid 126 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 123 and name     O) (segid AN1 and resid 127 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 123 and name     O) (segid AN1 and resid 127 and name     N) 2.90 0.20 0.20
! Helix VIII
assign (segid AN1 and resid 139 and name     O) (segid AN1 and resid 143 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 139 and name     O) (segid AN1 and resid 143 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 140 and name     O) (segid AN1 and resid 144 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 140 and name     O) (segid AN1 and resid 144 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 141 and name     O) (segid AN1 and resid 145 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 141 and name     O) (segid AN1 and resid 145 and name     N) 2.90 0.20 0.20
! Sheet 
assign (segid AN1 and resid 100 and name     O) (segid AN1 and resid 136 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 100 and name     O) (segid AN1 and resid 136 and name     N) 2.90 0.20 0.20
assign (segid AN1 and resid 136 and name     O) (segid AN1 and resid 100 and name    HN) 1.90 0.20 0.20
assign (segid AN1 and resid 136 and name     O) (segid AN1 and resid 100 and name     N) 2.90 0.20 0.20
!

!Constraints to satisfy Calcium coordination by the Ca-ligating groups. Segid AN1 and CSM correspond to
!the protein and Calcium, respectively. Note that these constraints do not affect the outcome of
!backbone structure. One get the same backbone structure when refining without these constraints. 
assign (segid AN1 and resid 104 and name  OE1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 104 and name  OE2) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid  97 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid  95 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid  93 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
!
assign (segid AN1 and resid 140 and name  OE1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 140 and name  OE2) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 133 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 131 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 129 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
!
!
!CHI1 angles determined by the 3-bond N-Cg and C'-Cg Couplings, along with CBHB dipolar couplings
assign (segid AN1 and resid 84 and name  N )
       (segid AN1 and resid 84 and name  CA)
       (segid AN1 and resid 84 and name  CB)
       (segid AN1 and resid 84 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 86 and name  N )
       (segid AN1 and resid 86 and name  CA)
       (segid AN1 and resid 86 and name  CB)
       (segid AN1 and resid 86 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 89 and name  N )
       (segid AN1 and resid 89 and name  CA)
       (segid AN1 and resid 89 and name  CB)
       (segid AN1 and resid 89 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 91 and name  N )
       (segid AN1 and resid 91 and name  CA)
       (segid AN1 and resid 91 and name  CB)
       (segid AN1 and resid 91 and name  CG1)  1.00 180.0 30.00  2

assign (segid AN1 and resid 92 and name  N )
       (segid AN1 and resid 92 and name  CA)
       (segid AN1 and resid 92 and name  CB)
       (segid AN1 and resid 92 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 99 and name  N )
       (segid AN1 and resid 99 and name  CA)
       (segid AN1 and resid 99 and name  CB)
       (segid AN1 and resid 99 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 100 and name  N )
       (segid AN1 and resid 100 and name  CA)
       (segid AN1 and resid 100 and name  CB)
       (segid AN1 and resid 100 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 104 and name  N )
       (segid AN1 and resid 104 and name  CA)
       (segid AN1 and resid 104 and name  CB)
       (segid AN1 and resid 104 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 105 and name  N )
       (segid AN1 and resid 105 and name  CA)
       (segid AN1 and resid 105 and name  CB)
       (segid AN1 and resid 105 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 107 and name  N )
       (segid AN1 and resid 107 and name  CA)
       (segid AN1 and resid 107 and name  CB)
       (segid AN1 and resid 107 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 109 and name  N )
       (segid AN1 and resid 109 and name  CA)
       (segid AN1 and resid 109 and name  CB)
       (segid AN1 and resid 109 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 117 and name  N )
       (segid AN1 and resid 117 and name  CA)
       (segid AN1 and resid 117 and name  CB)
       (segid AN1 and resid 117 and name  OG1)  1.00  60.0 30.00  2

assign (segid AN1 and resid 118 and name  N )
       (segid AN1 and resid 118 and name  CA)
       (segid AN1 and resid 118 and name  CB)
       (segid AN1 and resid 118 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 120 and name  N )
       (segid AN1 and resid 120 and name  CA)
       (segid AN1 and resid 120 and name  CB)
       (segid AN1 and resid 120 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 121 and name  N )
       (segid AN1 and resid 121 and name  CA)
       (segid AN1 and resid 121 and name  CB)
       (segid AN1 and resid 121 and name  CG1)  1.00 180.0 30.00  2

assign (segid AN1 and resid 124 and name  N )
       (segid AN1 and resid 124 and name  CA)
       (segid AN1 and resid 124 and name  CB)
       (segid AN1 and resid 124 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 125 and name  N )
       (segid AN1 and resid 125 and name  CA)
       (segid AN1 and resid 125 and name  CB)
       (segid AN1 and resid 125 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 130 and name  N )
       (segid AN1 and resid 130 and name  CA)
       (segid AN1 and resid 130 and name  CB)
       (segid AN1 and resid 130 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 136 and name  N )
       (segid AN1 and resid 136 and name  CA)
       (segid AN1 and resid 136 and name  CB)
       (segid AN1 and resid 136 and name  CG1)  1.00 180.0 30.00  2

assign (segid AN1 and resid 137 and name  N )
       (segid AN1 and resid 137 and name  CA)
       (segid AN1 and resid 137 and name  CB)
       (segid AN1 and resid 137 and name  CG)  1.00  60.0 30.00  2

assign (segid AN1 and resid 138 and name  N )
       (segid AN1 and resid 138 and name  CA)
       (segid AN1 and resid 138 and name  CB)
       (segid AN1 and resid 138 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 139 and name  N )
       (segid AN1 and resid 139 and name  CA)
       (segid AN1 and resid 139 and name  CB)
       (segid AN1 and resid 139 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 140 and name  N )
       (segid AN1 and resid 140 and name  CA)
       (segid AN1 and resid 140 and name  CB)
       (segid AN1 and resid 140 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 141 and name  N )
       (segid AN1 and resid 141 and name  CA)
       (segid AN1 and resid 141 and name  CB)
       (segid AN1 and resid 141 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 142 and name  N )
       (segid AN1 and resid 142 and name  CA)
       (segid AN1 and resid 142 and name  CB)
       (segid AN1 and resid 142 and name  CG1)  1.00 180.0 30.00  2

assign (segid AN1 and resid 144 and name  N )
       (segid AN1 and resid 144 and name  CA)
       (segid AN1 and resid 144 and name  CB)
       (segid AN1 and resid 144 and name  CG)  1.00  180.0 30.00  2

assign (segid AN1 and resid 145 and name  N )
       (segid AN1 and resid 145 and name  CA)
       (segid AN1 and resid 145 and name  CB)
       (segid AN1 and resid 145 and name  CG)  1.00 -60.0 30.00  2

!CHI2 angles determined by the 3-bond Ca-Cd Couplings, along with CH3 dipolar couplings
assign  (segid AN1 and resid   85   and name CA )
        (segid AN1 and resid   85   and name CB)
        (segid AN1 and resid   85   and name CG1)
        (segid AN1 and resid   85   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid  100   and name CA )
        (segid AN1 and resid  100   and name CB)
        (segid AN1 and resid  100   and name CG1)
        (segid AN1 and resid  100   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid  105   and name CA )
        (segid AN1 and resid  105   and name CB)
        (segid AN1 and resid  105   and name CG)
        (segid AN1 and resid  105   and name CD1) 1.00  60.00 30.00  2

assign  (segid AN1 and resid  130   and name CA )
        (segid AN1 and resid  130   and name CB)
        (segid AN1 and resid  130   and name CG1)
        (segid AN1 and resid  130   and name CD1) 1.00 180.00 30.00  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   GLU  82           HA       GLU  82  33.280  -2.440  19.848
    2   1HB   GLU  82          HB1       GLU  82  34.767  -3.008  17.867
    3   2HB   GLU  82          HB2       GLU  82  35.394  -1.362  17.960
    4   1HG   GLU  82          HG1       GLU  82  33.600  -1.361  16.344
    5   2HG   GLU  82          HG2       GLU  82  33.004  -0.545  17.790
    6    H    GLU  83           HN       GLU  83  36.691  -1.295  20.144
    7    HA   GLU  83           HA       GLU  83  37.730  -3.862  20.837
    8   1HB   GLU  83          HB1       GLU  83  39.614  -2.558  21.858
    9   2HB   GLU  83          HB2       GLU  83  38.686  -1.082  21.590
   10   1HG   GLU  83          HG1       GLU  83  38.678  -1.483  19.183
   11   2HG   GLU  83          HG2       GLU  83  39.483  -3.036  19.409
   12    H    GLU  84           HN       GLU  84  36.344  -1.250  22.800
   13    HA   GLU  84           HA       GLU  84  36.903  -2.375  25.366
   14   1HB   GLU  84          HB1       GLU  84  34.638  -1.058  25.903
   15   2HB   GLU  84          HB2       GLU  84  34.871  -0.448  24.264
   16   1HG   GLU  84          HG1       GLU  84  37.096   0.378  24.845
   17   2HG   GLU  84          HG2       GLU  84  36.956  -0.309  26.464
   18    H    ILE  85           HN       ILE  85  34.133  -2.745  23.137
   19    HA   ILE  85           HA       ILE  85  32.674  -4.520  24.879
   20    HB   ILE  85           HB       ILE  85  32.494  -4.256  21.860
   21   1HG1  ILE  85          HG11      ILE  85  32.207  -2.119  23.207
   22   2HG1  ILE  85          HG12      ILE  85  30.825  -2.886  23.989
   23   1HG2  ILE  85          HG21      ILE  85  31.334  -6.227  22.514
   24   2HG2  ILE  85          HG22      ILE  85  30.085  -4.987  22.412
   25   3HG2  ILE  85          HG23      ILE  85  30.719  -5.473  23.983
   26   1HD1  ILE  85          HD11      ILE  85  31.147  -2.413  21.008
   27   2HD1  ILE  85          HD12      ILE  85  30.082  -1.512  22.087
   28   3HD1  ILE  85          HD13      ILE  85  29.774  -3.219  21.768
   29    H    ARG  86           HN       ARG  86  34.896  -5.077  22.139
   30    HA   ARG  86           HA       ARG  86  34.651  -7.942  22.169
   31   1HB   ARG  86          HB1       ARG  86  37.030  -6.264  21.305
   32   2HB   ARG  86          HB2       ARG  86  35.646  -6.654  20.282
   33   1HG   ARG  86          HG1       ARG  86  36.132  -9.082  20.639
   34   2HG   ARG  86          HG2       ARG  86  37.570  -8.627  21.550
   35   1HD   ARG  86          HD1       ARG  86  38.760  -8.145  19.644
   36   2HD   ARG  86          HD2       ARG  86  37.389  -7.346  18.882
   37    HE   ARG  86           HE       ARG  86  37.187  -9.287  17.623
   38   1HH1  ARG  86          HH11      ARG  86  36.859 -11.490  17.346
   39   2HH1  ARG  86          HH12      ARG  86  37.157 -12.573  18.664
   40   1HH2  ARG  86          HH21      ARG  86  38.132 -10.078  20.851
   41   2HH2  ARG  86          HH22      ARG  86  37.869 -11.773  20.644
   42    H    GLU  87           HN       GLU  87  37.119  -5.774  23.643
   43    HA   GLU  87           HA       GLU  87  38.581  -7.848  24.920
   44   1HB   GLU  87          HB1       GLU  87  39.273  -6.041  26.543
   45   2HB   GLU  87          HB2       GLU  87  38.111  -4.969  25.762
   46   1HG   GLU  87          HG1       GLU  87  40.284  -4.567  24.769
   47   2HG   GLU  87          HG2       GLU  87  39.293  -5.413  23.579
   48    H    ALA  88           HN       ALA  88  35.798  -5.934  26.042
   49    HA   ALA  88           HA       ALA  88  35.578  -7.172  28.618
   50   1HB   ALA  88          HB1       ALA  88  34.278  -5.223  28.362
   51   2HB   ALA  88          HB2       ALA  88  33.064  -6.495  28.259
   52   3HB   ALA  88          HB3       ALA  88  33.659  -5.726  26.791
   53    H    PHE  89           HN       PHE  89  34.212  -8.017  25.430
   54    HA   PHE  89           HA       PHE  89  32.655 -10.240  26.341
   55   1HB   PHE  89          HB1       PHE  89  34.028 -10.017  23.649
   56   2HB   PHE  89          HB2       PHE  89  32.565  -9.119  24.052
   57    HD1  PHE  89           HD1      PHE  89  30.430 -10.248  24.349
   58    HD2  PHE  89           HD2      PHE  89  34.000 -12.466  23.462
   59    HE1  PHE  89           HE1      PHE  89  29.058 -12.247  23.824
   60    HE2  PHE  89           HE2      PHE  89  32.628 -14.464  22.938
   61    HZ   PHE  89           HZ       PHE  89  30.158 -14.352  23.118
   62    H    ARG  90           HN       ARG  90  36.061  -9.992  25.291
   63    HA   ARG  90           HA       ARG  90  36.547 -12.837  25.476
   64   1HB   ARG  90          HB1       ARG  90  38.577 -10.599  25.757
   65   2HB   ARG  90          HB2       ARG  90  37.979 -11.173  24.202
   66   1HG   ARG  90          HG1       ARG  90  39.149 -13.096  26.214
   67   2HG   ARG  90          HG2       ARG  90  40.194 -12.178  25.135
   68   1HD   ARG  90          HD1       ARG  90  39.650 -13.482  23.330
   69   2HD   ARG  90          HD2       ARG  90  37.936 -13.462  23.724
   70    HE   ARG  90           HE       ARG  90  38.259 -15.637  24.468
   71   1HH1  ARG  90          HH11      ARG  90  39.198 -17.215  25.761
   72   2HH1  ARG  90          HH12      ARG  90  40.715 -16.898  26.534
   73   1HH2  ARG  90          HH21      ARG  90  41.011 -13.701  25.246
   74   2HH2  ARG  90          HH22      ARG  90  41.735 -14.911  26.247
   75    H    VAL  91           HN       VAL  91  36.691 -10.144  27.752
   76    HA   VAL  91           HA       VAL  91  38.115 -11.528  29.820
   77    HB   VAL  91           HB       VAL  91  36.203  -9.182  29.846
   78   1HG1  VAL  91          HG11      VAL  91  35.937 -10.119  32.029
   79   2HG1  VAL  91          HG12      VAL  91  37.129  -8.832  32.210
   80   3HG1  VAL  91          HG13      VAL  91  37.652 -10.515  32.145
   81   1HG2  VAL  91          HG21      VAL  91  38.567  -9.066  28.849
   82   2HG2  VAL  91          HG22      VAL  91  39.156  -9.291  30.495
   83   3HG2  VAL  91          HG23      VAL  91  38.183  -7.876  30.092
   84    H    PHE  92           HN       PHE  92  34.661 -11.374  29.004
   85    HA   PHE  92           HA       PHE  92  33.915 -12.899  31.389
   86   1HB   PHE  92          HB1       PHE  92  31.684 -12.705  30.615
   87   2HB   PHE  92          HB2       PHE  92  32.192 -12.541  28.937
   88    HD1  PHE  92           HD1      PHE  92  33.574 -10.747  31.945
   89    HD2  PHE  92           HD2      PHE  92  31.299 -10.449  28.308
   90    HE1  PHE  92           HE1      PHE  92  33.558  -8.289  32.157
   91    HE2  PHE  92           HE2      PHE  92  31.289  -7.985  28.530
   92    HZ   PHE  92           HZ       PHE  92  32.414  -6.903  30.456
   93    H    ASP  93           HN       ASP  93  34.842 -13.618  28.109
   94    HA   ASP  93           HA       ASP  93  33.833 -16.376  28.220
   95   1HB   ASP  93          HB1       ASP  93  35.888 -15.196  26.322
   96   2HB   ASP  93          HB2       ASP  93  34.147 -15.054  26.077
   97    H    LYS  94           HN       LYS  94  34.903 -16.700  30.344
   98    HA   LYS  94           HA       LYS  94  37.670 -16.724  30.819
   99   1HB   LYS  94          HB1       LYS  94  37.074 -18.712  32.391
  100   2HB   LYS  94          HB2       LYS  94  35.416 -18.432  31.863
  101   1HG   LYS  94          HG1       LYS  94  37.198 -16.280  33.048
  102   2HG   LYS  94          HG2       LYS  94  36.042 -17.226  33.982
  103   1HD   LYS  94          HD1       LYS  94  34.274 -16.442  32.292
  104   2HD   LYS  94          HD2       LYS  94  35.479 -15.280  31.737
  105   1HE   LYS  94          HE1       LYS  94  35.600 -14.259  33.922
  106   2HE   LYS  94          HE2       LYS  94  34.600 -15.529  34.629
  107   1HZ   LYS  94          HZ1       LYS  94  32.907 -14.175  34.209
  108   2HZ   LYS  94          HZ2       LYS  94  33.091 -14.609  32.576
  109   3HZ   LYS  94          HZ3       LYS  94  33.817 -13.192  33.169
  110    H    ASP  95           HN       ASP  95  35.688 -19.216  29.229
  111    HA   ASP  95           HA       ASP  95  38.036 -20.971  28.938
  112   1HB   ASP  95          HB1       ASP  95  35.882 -22.018  29.410
  113   2HB   ASP  95          HB2       ASP  95  36.412 -22.496  27.796
  114    H    GLY  96           HN       GLY  96  36.872 -18.341  27.229
  115   1HA   GLY  96          HA1       GLY  96  38.697 -18.798  25.053
  116   2HA   GLY  96          HA2       GLY  96  37.515 -17.494  25.130
  117    H    ASN  97           HN       ASN  97  35.363 -19.629  25.543
  118    HA   ASN  97           HA       ASN  97  35.331 -21.200  23.080
  119   1HB   ASN  97          HB1       ASN  97  34.204 -21.888  25.222
  120   2HB   ASN  97          HB2       ASN  97  33.151 -21.931  23.809
  121   1HD2  ASN  97          HD21      ASN  97  31.432 -21.725  25.636
  122   2HD2  ASN  97          HD22      ASN  97  31.020 -20.154  26.129
  123    H    GLY  98           HN       GLY  98  34.816 -17.918  23.576
  124   1HA   GLY  98          HA1       GLY  98  33.606 -17.681  20.938
  125   2HA   GLY  98          HA2       GLY  98  34.077 -16.351  21.991
  126    H    TYR  99           HN       TYR  99  32.298 -18.211  23.981
  127    HA   TYR  99           HA       TYR  99  29.824 -16.647  23.402
  128   1HB   TYR  99          HB1       TYR  99  28.409 -18.560  23.622
  129   2HB   TYR  99          HB2       TYR  99  29.753 -19.575  24.154
  130    HD1  TYR  99           HD1      TYR  99  31.191 -20.644  22.577
  131    HD2  TYR  99           HD2      TYR  99  28.375 -17.680  21.264
  132    HE1  TYR  99           HE1      TYR  99  31.664 -21.241  20.217
  133    HE2  TYR  99           HE2      TYR  99  28.847 -18.276  18.903
  134    H    ILE 100           HN       ILE 100  28.811 -15.908  25.244
  135    HA   ILE 100           HA       ILE 100  30.165 -16.511  27.832
  136    HB   ILE 100           HB       ILE 100  28.077 -14.403  27.186
  137   1HG1  ILE 100          HG11      ILE 100  30.283 -14.195  25.941
  138   2HG1  ILE 100          HG12      ILE 100  31.067 -14.042  27.514
  139   1HG2  ILE 100          HG21      ILE 100  28.128 -14.896  29.547
  140   2HG2  ILE 100          HG22      ILE 100  29.013 -13.390  29.306
  141   3HG2  ILE 100          HG23      ILE 100  29.892 -14.898  29.561
  142   1HD1  ILE 100          HD11      ILE 100  29.646 -12.086  28.026
  143   2HD1  ILE 100          HD12      ILE 100  28.867 -12.242  26.452
  144   3HD1  ILE 100          HD13      ILE 100  30.577 -11.822  26.551
  145    H    SER 101           HN       SER 101  29.281 -17.944  29.154
  146    HA   SER 101           HA       SER 101  26.564 -18.955  28.651
  147   1HB   SER 101          HB1       SER 101  28.473 -19.730  30.874
  148   2HB   SER 101          HB2       SER 101  28.513 -20.446  29.266
  149    HG   SER 101           HG       SER 101  27.233 -21.653  30.745
  150    H    ALA 102           HN       ALA 102  24.962 -19.071  30.388
  151    HA   ALA 102           HA       ALA 102  24.482 -16.562  31.616
  152   1HB   ALA 102          HB1       ALA 102  22.760 -18.359  31.165
  153   2HB   ALA 102          HB2       ALA 102  22.655 -17.656  32.779
  154   3HB   ALA 102          HB3       ALA 102  23.400 -19.236  32.553
  155    H    ALA 103           HN       ALA 103  25.826 -19.559  33.008
  156    HA   ALA 103           HA       ALA 103  26.117 -18.520  35.658
  157   1HB   ALA 103          HB1       ALA 103  27.748 -20.644  34.227
  158   2HB   ALA 103          HB2       ALA 103  26.288 -20.928  35.176
  159   3HB   ALA 103          HB3       ALA 103  27.758 -20.358  35.968
  160    H    GLU 104           HN       GLU 104  28.148 -18.298  32.769
  161    HA   GLU 104           HA       GLU 104  30.452 -17.202  34.107
  162   1HB   GLU 104          HB1       GLU 104  30.876 -16.195  31.754
  163   2HB   GLU 104          HB2       GLU 104  29.437 -17.093  31.263
  164   1HG   GLU 104          HG1       GLU 104  30.457 -19.189  32.001
  165   2HG   GLU 104          HG2       GLU 104  31.867 -18.319  32.605
  166    H    LEU 105           HN       LEU 105  27.476 -15.862  32.768
  167    HA   LEU 105           HA       LEU 105  28.150 -13.099  33.039
  168   1HB   LEU 105          HB1       LEU 105  25.365 -14.194  33.433
  169   2HB   LEU 105          HB2       LEU 105  26.117 -14.171  31.837
  170    HG   LEU 105           HG       LEU 105  26.084 -11.659  33.516
  171   1HD1  LEU 105          HD11      LEU 105  26.107 -12.255  30.540
  172   2HD1  LEU 105          HD12      LEU 105  27.415 -11.559  31.495
  173   3HD1  LEU 105          HD13      LEU 105  25.943 -10.636  31.212
  174   1HD2  LEU 105          HD21      LEU 105  23.766 -12.262  33.544
  175   2HD2  LEU 105          HD22      LEU 105  23.812 -12.771  31.855
  176   3HD2  LEU 105          HD23      LEU 105  23.950 -11.062  32.265
  177    H    ARG 106           HN       ARG 106  26.762 -15.489  35.239
  178    HA   ARG 106           HA       ARG 106  26.130 -13.715  37.391
  179   1HB   ARG 106          HB1       ARG 106  26.417 -15.863  38.796
  180   2HB   ARG 106          HB2       ARG 106  26.765 -16.665  37.265
  181   1HG   ARG 106          HG1       ARG 106  24.595 -15.997  36.377
  182   2HG   ARG 106          HG2       ARG 106  24.262 -15.051  37.829
  183   1HD   ARG 106          HD1       ARG 106  23.258 -17.457  37.637
  184   2HD   ARG 106          HD2       ARG 106  23.985 -16.959  39.163
  185    HE   ARG 106           HE       ARG 106  25.912 -18.235  37.406
  186   1HH1  ARG 106          HH11      ARG 106  26.641 -20.272  38.056
  187   2HH1  ARG 106          HH12      ARG 106  25.759 -21.147  39.263
  188   1HH2  ARG 106          HH21      ARG 106  23.349 -18.686  39.664
  189   2HH2  ARG 106          HH22      ARG 106  23.895 -20.249  40.174
  190    H    HIS 107           HN       HIS 107  29.093 -15.418  36.461
  191    HA   HIS 107           HA       HIS 107  30.578 -14.817  38.859
  192   1HB   HIS 107          HB1       HIS 107  31.509 -15.333  36.017
  193   2HB   HIS 107          HB2       HIS 107  31.351 -16.531  37.301
  194    HD1  HIS 107           HD1      HIS 107  33.552 -13.777  36.074
  195    HD2  HIS 107           HD2      HIS 107  33.360 -16.344  39.352
  196    HE1  HIS 107           HE1      HIS 107  35.782 -13.591  37.260
  197    H    VAL 108           HN       VAL 108  30.481 -13.207  35.655
  198    HA   VAL 108           HA       VAL 108  32.217 -11.067  36.422
  199    HB   VAL 108           HB       VAL 108  30.042 -11.000  34.311
  200   1HG1  VAL 108          HG11      VAL 108  31.421  -9.327  33.249
  201   2HG1  VAL 108          HG12      VAL 108  32.708  -9.562  34.430
  202   3HG1  VAL 108          HG13      VAL 108  31.182  -8.828  34.921
  203   1HG2  VAL 108          HG21      VAL 108  31.545 -12.995  34.127
  204   2HG2  VAL 108          HG22      VAL 108  32.926 -11.901  34.055
  205   3HG2  VAL 108          HG23      VAL 108  31.712 -11.876  32.779
  206    H    MET 109           HN       MET 109  28.657 -11.256  36.264
  207    HA   MET 109           HA       MET 109  28.215  -8.568  37.126
  208   1HB   MET 109          HB1       MET 109  25.899  -9.589  37.795
  209   2HB   MET 109          HB2       MET 109  26.522 -11.059  37.048
  210   1HG   MET 109          HG1       MET 109  26.062  -8.360  35.762
  211   2HG   MET 109          HG2       MET 109  25.364  -9.914  35.309
  212   1HE   MET 109          HE1       MET 109  27.435  -9.078  32.233
  213   2HE   MET 109          HE2       MET 109  27.169  -7.704  33.303
  214   3HE   MET 109          HE3       MET 109  25.895  -8.901  33.086
  215    H    THR 110           HN       THR 110  28.403 -11.622  38.961
  216    HA   THR 110           HA       THR 110  27.659 -10.469  41.477
  217    HB   THR 110           HB       THR 110  28.818 -12.478  42.455
  218    HG1  THR 110           HG1      THR 110  29.160 -13.785  40.166
  219   1HG2  THR 110          HG21      THR 110  27.354 -14.139  41.033
  220   2HG2  THR 110          HG22      THR 110  26.754 -12.666  40.273
  221   3HG2  THR 110          HG23      THR 110  26.566 -12.902  42.010
  222    H    ASN 111           HN       ASN 111  30.904 -11.032  40.027
  223    HA   ASN 111           HA       ASN 111  32.185  -9.812  42.343
  224   1HB   ASN 111          HB1       ASN 111  33.329 -10.402  39.590
  225   2HB   ASN 111          HB2       ASN 111  33.351 -11.518  40.956
  226   1HD2  ASN 111          HD21      ASN 111  34.509 -10.641  42.983
  227   2HD2  ASN 111          HD22      ASN 111  35.852  -9.630  42.744
  228    H    LEU 112           HN       LEU 112  30.991  -8.689  39.253
  229    HA   LEU 112           HA       LEU 112  32.373  -6.158  39.230
  230   1HB   LEU 112          HB1       LEU 112  29.761  -7.041  37.963
  231   2HB   LEU 112          HB2       LEU 112  31.347  -7.074  37.204
  232    HG   LEU 112           HG       LEU 112  29.760  -4.622  38.011
  233   1HD1  LEU 112          HD11      LEU 112  31.978  -3.979  38.512
  234   2HD1  LEU 112          HD12      LEU 112  31.785  -3.462  36.840
  235   3HD1  LEU 112          HD13      LEU 112  32.652  -4.954  37.206
  236   1HD2  LEU 112          HD21      LEU 112  29.122  -5.709  35.887
  237   2HD2  LEU 112          HD22      LEU 112  30.798  -5.626  35.345
  238   3HD2  LEU 112          HD23      LEU 112  29.879  -4.142  35.598
  239    H    GLY 113           HN       GLY 113  30.083  -7.384  41.337
  240   1HA   GLY 113          HA1       GLY 113  29.383  -4.633  42.279
  241   2HA   GLY 113          HA2       GLY 113  29.384  -6.084  43.277
  242    H    GLU 114           HN       GLU 114  28.013  -6.847  40.317
  243    HA   GLU 114           HA       GLU 114  25.251  -6.072  41.159
  244   1HB   GLU 114          HB1       GLU 114  24.600  -6.718  38.877
  245   2HB   GLU 114          HB2       GLU 114  26.238  -7.285  38.555
  246   1HG   GLU 114          HG1       GLU 114  27.101  -5.003  38.908
  247   2HG   GLU 114          HG2       GLU 114  25.468  -4.434  39.255
  248    H    LYS 115           HN       LYS 115  24.256  -7.629  42.408
  249    HA   LYS 115           HA       LYS 115  25.026 -10.485  41.968
  250   1HB   LYS 115          HB1       LYS 115  23.849 -10.861  44.162
  251   2HB   LYS 115          HB2       LYS 115  23.603  -9.118  44.275
  252   1HG   LYS 115          HG1       LYS 115  26.015  -8.743  44.244
  253   2HG   LYS 115          HG2       LYS 115  26.309 -10.464  43.996
  254   1HD   LYS 115          HD1       LYS 115  25.268 -10.956  46.178
  255   2HD   LYS 115          HD2       LYS 115  24.957  -9.237  46.421
  256   1HE   LYS 115          HE1       LYS 115  27.646 -10.618  46.229
  257   2HE   LYS 115          HE2       LYS 115  26.980  -9.754  47.615
  258   1HZ   LYS 115          HZ1       LYS 115  27.998  -8.666  45.073
  259   2HZ   LYS 115          HZ2       LYS 115  28.389  -8.214  46.663
  260   3HZ   LYS 115          HZ3       LYS 115  26.887  -7.780  45.998
  261    H    LEU 116           HN       LEU 116  23.784 -11.228  40.346
  262    HA   LEU 116           HA       LEU 116  20.854 -10.617  40.334
  263   1HB   LEU 116          HB1       LEU 116  20.887 -11.217  38.023
  264   2HB   LEU 116          HB2       LEU 116  22.477 -11.966  38.167
  265    HG   LEU 116           HG       LEU 116  23.482  -9.771  38.639
  266   1HD1  LEU 116          HD11      LEU 116  21.700  -9.525  36.205
  267   2HD1  LEU 116          HD12      LEU 116  23.083 -10.617  36.265
  268   3HD1  LEU 116          HD13      LEU 116  23.326  -8.878  36.425
  269   1HD2  LEU 116          HD21      LEU 116  20.596  -8.879  38.484
  270   2HD2  LEU 116          HD22      LEU 116  21.919  -7.749  38.193
  271   3HD2  LEU 116          HD23      LEU 116  21.778  -8.556  39.753
  272    H    THR 117           HN       THR 117  19.356 -12.295  40.263
  273    HA   THR 117           HA       THR 117  20.264 -14.835  41.438
  274    HB   THR 117           HB       THR 117  17.925 -15.328  41.728
  275    HG1  THR 117           HG1      THR 117  16.357 -14.202  40.650
  276   1HG2  THR 117          HG21      THR 117  17.190 -13.437  43.009
  277   2HG2  THR 117          HG22      THR 117  18.172 -12.330  42.049
  278   3HG2  THR 117          HG23      THR 117  18.948 -13.482  43.135
  279    H    ASP 118           HN       ASP 118  19.469 -16.919  40.362
  280    HA   ASP 118           HA       ASP 118  20.407 -17.093  37.700
  281   1HB   ASP 118          HB1       ASP 118  19.079 -19.299  37.671
  282   2HB   ASP 118          HB2       ASP 118  18.588 -18.890  39.317
  283    H    GLU 119           HN       GLU 119  17.161 -16.381  38.918
  284    HA   GLU 119           HA       GLU 119  15.922 -16.697  36.314
  285   1HB   GLU 119          HB1       GLU 119  14.865 -15.052  38.629
  286   2HB   GLU 119          HB2       GLU 119  14.723 -16.808  38.566
  287   1HG   GLU 119          HG1       GLU 119  12.675 -15.949  37.675
  288   2HG   GLU 119          HG2       GLU 119  13.608 -16.501  36.285
  289    H    GLU 120           HN       GLU 120  17.168 -13.933  38.189
  290    HA   GLU 120           HA       GLU 120  16.362 -11.880  36.358
  291   1HB   GLU 120          HB1       GLU 120  18.323 -10.610  37.343
  292   2HB   GLU 120          HB2       GLU 120  18.703 -12.060  38.276
  293   1HG   GLU 120          HG1       GLU 120  16.517 -11.984  39.352
  294   2HG   GLU 120          HG2       GLU 120  16.028 -10.628  38.336
  295    H    VAL 121           HN       VAL 121  19.203 -14.012  36.447
  296    HA   VAL 121           HA       VAL 121  20.430 -12.691  34.162
  297    HB   VAL 121           HB       VAL 121  20.914 -15.424  35.401
  298   1HG1  VAL 121          HG11      VAL 121  22.268 -13.997  33.107
  299   2HG1  VAL 121          HG12      VAL 121  21.585 -15.619  33.124
  300   3HG1  VAL 121          HG13      VAL 121  23.067 -15.278  34.018
  301   1HG2  VAL 121          HG21      VAL 121  22.253 -12.721  35.620
  302   2HG2  VAL 121          HG22      VAL 121  23.128 -14.204  35.993
  303   3HG2  VAL 121          HG23      VAL 121  21.687 -13.777  36.914
  304    H    ASP 122           HN       ASP 122  18.243 -15.395  34.665
  305    HA   ASP 122           HA       ASP 122  18.239 -16.416  31.996
  306   1HB   ASP 122          HB1       ASP 122  15.782 -16.168  33.752
  307   2HB   ASP 122          HB2       ASP 122  17.032 -17.375  34.056
  308    H    GLU 123           HN       GLU 123  16.453 -13.733  33.533
  309    HA   GLU 123           HA       GLU 123  14.894 -13.023  31.256
  310   1HB   GLU 123          HB1       GLU 123  15.996 -11.154  33.376
  311   2HB   GLU 123          HB2       GLU 123  14.556 -12.150  33.588
  312   1HG   GLU 123          HG1       GLU 123  13.470 -11.032  31.703
  313   2HG   GLU 123          HG2       GLU 123  14.930 -10.093  31.387
  314    H    MET 124           HN       MET 124  18.106 -11.867  32.367
  315    HA   MET 124           HA       MET 124  18.512 -10.037  30.186
  316   1HB   MET 124          HB1       MET 124  20.973 -10.380  30.776
  317   2HB   MET 124          HB2       MET 124  20.426 -11.471  32.044
  318   1HG   MET 124          HG1       MET 124  19.063  -9.683  33.028
  319   2HG   MET 124          HG2       MET 124  19.533  -8.588  31.728
  320   1HE   MET 124          HE1       MET 124  21.394  -7.166  31.677
  321   2HE   MET 124          HE2       MET 124  22.364  -8.532  31.132
  322   3HE   MET 124          HE3       MET 124  22.988  -7.462  32.384
  323    H    ILE 125           HN       ILE 125  19.404 -13.446  30.655
  324    HA   ILE 125           HA       ILE 125  20.823 -13.737  28.191
  325    HB   ILE 125           HB       ILE 125  19.375 -15.688  29.997
  326   1HG1  ILE 125          HG11      ILE 125  21.651 -16.370  30.643
  327   2HG1  ILE 125          HG12      ILE 125  21.395 -14.655  30.932
  328   1HG2  ILE 125          HG21      ILE 125  20.766 -17.444  28.707
  329   2HG2  ILE 125          HG22      ILE 125  20.897 -16.218  27.445
  330   3HG2  ILE 125          HG23      ILE 125  19.311 -16.823  27.926
  331   1HD1  ILE 125          HD11      ILE 125  23.592 -15.560  29.709
  332   2HD1  ILE 125          HD12      ILE 125  22.871 -14.012  29.285
  333   3HD1  ILE 125          HD13      ILE 125  22.563 -15.430  28.287
  334    H    ARG 126           HN       ARG 126  17.461 -14.536  29.080
  335    HA   ARG 126           HA       ARG 126  16.666 -15.434  26.502
  336   1HB   ARG 126          HB1       ARG 126  14.339 -14.842  27.305
  337   2HB   ARG 126          HB2       ARG 126  15.087 -14.166  28.753
  338   1HG   ARG 126          HG1       ARG 126  16.213 -16.410  29.094
  339   2HG   ARG 126          HG2       ARG 126  15.209 -17.036  27.786
  340   1HD   ARG 126          HD1       ARG 126  14.132 -17.512  29.924
  341   2HD   ARG 126          HD2       ARG 126  13.183 -16.306  29.054
  342    HE   ARG 126           HE       ARG 126  15.130 -15.098  30.846
  343   1HH1  ARG 126          HH11      ARG 126  14.280 -14.041  32.653
  344   2HH1  ARG 126          HH12      ARG 126  12.637 -14.333  33.117
  345   1HH2  ARG 126          HH21      ARG 126  12.027 -16.567  30.536
  346   2HH2  ARG 126          HH22      ARG 126  11.361 -15.763  31.918
  347    H    GLU 127           HN       GLU 127  16.727 -12.173  27.922
  348    HA   GLU 127           HA       GLU 127  15.375 -10.977  25.673
  349   1HB   GLU 127          HB1       GLU 127  17.227  -9.617  27.657
  350   2HB   GLU 127          HB2       GLU 127  15.517  -9.933  27.956
  351   1HG   GLU 127          HG1       GLU 127  14.892  -8.549  26.044
  352   2HG   GLU 127          HG2       GLU 127  16.588  -8.312  25.624
  353    H    ALA 128           HN       ALA 128  18.809 -11.340  26.587
  354    HA   ALA 128           HA       ALA 128  19.695  -9.983  24.140
  355   1HB   ALA 128          HB1       ALA 128  21.447 -11.604  25.990
  356   2HB   ALA 128          HB2       ALA 128  20.893  -9.991  26.431
  357   3HB   ALA 128          HB3       ALA 128  21.889 -10.217  24.994
  358    H    ASP 129           HN       ASP 129  19.018 -13.241  25.147
  359    HA   ASP 129           HA       ASP 129  20.607 -14.474  23.010
  360   1HB   ASP 129          HB1       ASP 129  18.435 -15.658  24.769
  361   2HB   ASP 129          HB2       ASP 129  20.164 -15.685  25.125
  362    H    ILE 130           HN       ILE 130  19.896 -13.845  21.019
  363    HA   ILE 130           HA       ILE 130  17.024 -13.660  20.426
  364    HB   ILE 130           HB       ILE 130  19.486 -13.284  18.704
  365   1HG1  ILE 130          HG11      ILE 130  19.068 -11.629  20.566
  366   2HG1  ILE 130          HG12      ILE 130  17.520 -11.252  19.809
  367   1HG2  ILE 130          HG21      ILE 130  16.534 -12.922  18.127
  368   2HG2  ILE 130          HG22      ILE 130  17.694 -13.907  17.236
  369   3HG2  ILE 130          HG23      ILE 130  17.790 -12.150  17.160
  370   1HD1  ILE 130          HD11      ILE 130  19.266  -9.640  19.124
  371   2HD1  ILE 130          HD12      ILE 130  18.692 -10.578  17.745
  372   3HD1  ILE 130          HD13      ILE 130  20.241 -10.968  18.494
  373    H    ASP 131           HN       ASP 131  19.649 -15.964  19.888
  374    HA   ASP 131           HA       ASP 131  18.013 -17.461  17.944
  375   1HB   ASP 131          HB1       ASP 131  20.425 -17.373  17.561
  376   2HB   ASP 131          HB2       ASP 131  19.965 -19.035  17.931
  377    H    GLY 132           HN       GLY 132  17.973 -17.129  21.206
  378   1HA   GLY 132          HA1       GLY 132  16.340 -19.428  21.661
  379   2HA   GLY 132          HA2       GLY 132  17.016 -18.401  22.924
  380    H    ASP 133           HN       ASP 133  19.799 -18.994  21.774
  381    HA   ASP 133           HA       ASP 133  20.131 -21.859  22.185
  382   1HB   ASP 133          HB1       ASP 133  21.628 -20.444  20.704
  383   2HB   ASP 133          HB2       ASP 133  22.490 -21.475  21.845
  384    H    GLY 134           HN       GLY 134  19.916 -19.142  24.232
  385   1HA   GLY 134          HA1       GLY 134  20.498 -20.845  26.572
  386   2HA   GLY 134          HA2       GLY 134  19.748 -19.252  26.609
  387    H    GLN 135           HN       GLN 135  22.210 -18.618  24.658
  388    HA   GLN 135           HA       GLN 135  23.964 -17.761  26.911
  389   1HB   GLN 135          HB1       GLN 135  25.977 -18.463  25.635
  390   2HB   GLN 135          HB2       GLN 135  24.934 -19.200  24.419
  391   1HG   GLN 135          HG1       GLN 135  24.066 -20.779  26.029
  392   2HG   GLN 135          HG2       GLN 135  24.877 -19.948  27.356
  393   1HE2  GLN 135          HE21      GLN 135  26.980 -19.802  24.766
  394   2HE2  GLN 135          HE22      GLN 135  27.904 -21.190  25.082
  395    H    VAL 136           HN       VAL 136  25.450 -15.994  26.242
  396    HA   VAL 136           HA       VAL 136  24.201 -14.322  24.093
  397    HB   VAL 136           HB       VAL 136  26.187 -13.447  26.200
  398   1HG1  VAL 136          HG11      VAL 136  25.834 -12.013  24.170
  399   2HG1  VAL 136          HG12      VAL 136  25.355 -11.225  25.673
  400   3HG1  VAL 136          HG13      VAL 136  24.128 -11.898  24.601
  401   1HG2  VAL 136          HG21      VAL 136  24.030 -12.505  27.289
  402   2HG2  VAL 136          HG22      VAL 136  24.379 -14.219  27.494
  403   3HG2  VAL 136          HG23      VAL 136  23.181 -13.702  26.308
  404    H    ASN 137           HN       ASN 137  25.271 -14.165  22.207
  405    HA   ASN 137           HA       ASN 137  28.141 -14.946  22.081
  406   1HB   ASN 137          HB1       ASN 137  26.974 -16.035  20.362
  407   2HB   ASN 137          HB2       ASN 137  27.624 -14.625  19.529
  408   1HD2  ASN 137          HD21      ASN 137  24.665 -16.115  20.748
  409   2HD2  ASN 137          HD22      ASN 137  23.598 -14.998  20.045
  410    H    TYR 138           HN       TYR 138  29.405 -13.477  20.424
  411    HA   TYR 138           HA       TYR 138  29.708 -10.911  21.555
  412   1HB   TYR 138          HB1       TYR 138  30.405 -11.844  18.753
  413   2HB   TYR 138          HB2       TYR 138  31.444 -11.939  20.176
  414    HD1  TYR 138           HD1      TYR 138  31.923  -9.695  21.422
  415    HD2  TYR 138           HD2      TYR 138  30.465  -9.930  17.388
  416    HE1  TYR 138           HE1      TYR 138  32.706  -7.379  21.001
  417    HE2  TYR 138           HE2      TYR 138  31.250  -7.616  16.969
  418    H    GLU 139           HN       GLU 139  27.887 -11.773  18.560
  419    HA   GLU 139           HA       GLU 139  27.142  -9.107  17.923
  420   1HB   GLU 139          HB1       GLU 139  25.454 -10.052  16.514
  421   2HB   GLU 139          HB2       GLU 139  25.428 -11.555  17.431
  422   1HG   GLU 139          HG1       GLU 139  27.981 -10.607  16.120
  423   2HG   GLU 139          HG2       GLU 139  26.763 -11.461  15.176
  424    H    GLU 140           HN       GLU 140  25.454 -11.541  19.903
  425    HA   GLU 140           HA       GLU 140  23.185  -9.885  20.514
  426   1HB   GLU 140          HB1       GLU 140  22.992 -11.497  22.509
  427   2HB   GLU 140          HB2       GLU 140  24.418 -12.297  21.847
  428   1HG   GLU 140          HG1       GLU 140  23.201 -12.542  19.670
  429   2HG   GLU 140          HG2       GLU 140  21.766 -11.861  20.437
  430    H    PHE 141           HN       PHE 141  26.315 -10.384  22.133
  431    HA   PHE 141           HA       PHE 141  25.734  -8.854  24.477
  432   1HB   PHE 141          HB1       PHE 141  28.423  -9.084  23.100
  433   2HB   PHE 141          HB2       PHE 141  27.744 -10.331  24.150
  434    HD1  PHE 141           HD1      PHE 141  28.759  -6.746  24.022
  435    HD2  PHE 141           HD2      PHE 141  27.849 -10.117  26.523
  436    HE1  PHE 141           HE1      PHE 141  29.543  -5.484  26.006
  437    HE2  PHE 141           HE2      PHE 141  28.636  -8.854  28.507
  438    HZ   PHE 141           HZ       PHE 141  29.480  -6.536  28.248
  439    H    VAL 142           HN       VAL 142  27.127  -7.910  21.327
  440    HA   VAL 142           HA       VAL 142  27.576  -5.169  21.964
  441    HB   VAL 142           HB       VAL 142  26.818  -6.426  19.306
  442   1HG1  VAL 142          HG11      VAL 142  26.404  -4.090  19.118
  443   2HG1  VAL 142          HG12      VAL 142  28.013  -4.337  18.439
  444   3HG1  VAL 142          HG13      VAL 142  27.834  -3.684  20.067
  445   1HG2  VAL 142          HG21      VAL 142  29.136  -6.658  18.906
  446   2HG2  VAL 142          HG22      VAL 142  28.973  -7.151  20.590
  447   3HG2  VAL 142          HG23      VAL 142  29.567  -5.539  20.198
  448    H    GLN 143           HN       GLN 143  24.716  -6.711  20.429
  449    HA   GLN 143           HA       GLN 143  23.198  -4.307  20.284
  450   1HB   GLN 143          HB1       GLN 143  22.075  -7.095  20.666
  451   2HB   GLN 143          HB2       GLN 143  22.667  -6.489  19.120
  452   1HG   GLN 143          HG1       GLN 143  21.006  -4.736  19.096
  453   2HG   GLN 143          HG2       GLN 143  20.518  -5.104  20.751
  454   1HE2  GLN 143          HE21      GLN 143  19.724  -5.691  17.512
  455   2HE2  GLN 143          HE22      GLN 143  18.775  -7.081  17.734
  456    H    MET 144           HN       MET 144  23.370  -6.773  22.863
  457    HA   MET 144           HA       MET 144  21.319  -5.617  24.485
  458   1HB   MET 144          HB1       MET 144  23.748  -7.102  25.499
  459   2HB   MET 144          HB2       MET 144  22.367  -7.929  24.770
  460   1HG   MET 144          HG1       MET 144  21.933  -8.006  27.098
  461   2HG   MET 144          HG2       MET 144  20.931  -6.682  26.513
  462   1HE   MET 144          HE1       MET 144  20.732  -5.085  28.752
  463   2HE   MET 144          HE2       MET 144  21.899  -5.512  30.001
  464   3HE   MET 144          HE3       MET 144  21.020  -6.783  29.154
  465    H    MET 145           HN       MET 145  24.852  -5.050  24.434
  466    HA   MET 145           HA       MET 145  24.565  -3.007  26.569
  467   1HB   MET 145          HB1       MET 145  27.045  -2.764  26.268
  468   2HB   MET 145          HB2       MET 145  26.980  -4.064  25.073
  469   1HG   MET 145          HG1       MET 145  25.874  -4.388  27.875
  470   2HG   MET 145          HG2       MET 145  27.562  -4.714  27.498
  471   1HE   MET 145          HE1       MET 145  26.896  -6.848  28.680
  472   2HE   MET 145          HE2       MET 145  26.090  -8.224  27.931
  473   3HE   MET 145          HE3       MET 145  25.133  -6.901  28.586
  474    H    THR 146           HN       THR 146  24.779  -3.202  23.111
  475    HA   THR 146           HA       THR 146  25.124  -0.221  22.933
  476    HB   THR 146           HB       THR 146  25.341  -2.098  20.574
  477    HG1  THR 146           HG1      THR 146  27.077  -1.794  22.717
  478   1HG2  THR 146          HG21      THR 146  25.294   0.474  20.446
  479   2HG2  THR 146          HG22      THR 146  26.615  -0.348  19.616
  480   3HG2  THR 146          HG23      THR 146  26.896   0.416  21.180
  481    H    ALA 147           HN       ALA 147  22.644  -1.898  23.522
  482    HA   ALA 147           HA       ALA 147  20.904  -1.997  21.300
  483   1HB   ALA 147          HB1       ALA 147  19.080  -1.558  23.059
  484   2HB   ALA 147          HB2       ALA 147  20.394  -1.451  24.231
  485   3HB   ALA 147          HB3       ALA 147  20.125  -2.950  23.343
  486    H    LYS 148           HN       LYS 148  21.239  -0.167  19.946
  487    HA   LYS 148           HA       LYS 148  21.097   2.542  20.931
  488   1HB   LYS 148          HB1       LYS 148  20.420   1.803  18.084
  489   2HB   LYS 148          HB2       LYS 148  22.065   1.585  18.673
  490   1HG   LYS 148          HG1       LYS 148  21.757   3.801  17.603
  491   2HG   LYS 148          HG2       LYS 148  22.181   3.952  19.308
  492   1HD   LYS 148          HD1       LYS 148  19.968   4.527  19.924
  493   2HD   LYS 148          HD2       LYS 148  19.296   3.923  18.409
  494   1HE   LYS 148          HE1       LYS 148  20.499   5.740  17.196
  495   2HE   LYS 148          HE2       LYS 148  21.069   6.363  18.744
  496   1HZ   LYS 148          HZ1       LYS 148  18.383   6.068  19.091
  497   2HZ   LYS 148          HZ2       LYS 148  18.510   6.650  17.500
  498   3HZ   LYS 148          HZ3       LYS 148  19.192   7.527  18.786
  Start of MODEL    2
    1    HA   GLU  82           HA       GLU  82  13.013  20.354  -5.000
    2   1HB   GLU  82          HB1       GLU  82  11.872  18.518  -3.953
    3   2HB   GLU  82          HB2       GLU  82  13.368  17.896  -3.260
    4   1HG   GLU  82          HG1       GLU  82  14.224  17.456  -5.545
    5   2HG   GLU  82          HG2       GLU  82  12.705  18.051  -6.218
    6    H    GLU  83           HN       GLU  83  11.658  20.895  -3.102
    7    HA   GLU  83           HA       GLU  83  13.183  22.471  -1.219
    8   1HB   GLU  83          HB1       GLU  83  10.842  22.977  -2.129
    9   2HB   GLU  83          HB2       GLU  83  11.088  23.255  -0.409
   10   1HG   GLU  83          HG1       GLU  83  10.076  20.572  -1.355
   11   2HG   GLU  83          HG2       GLU  83   8.957  21.927  -1.234
   12    H    GLU  84           HN       GLU  84  11.516  19.352  -1.014
   13    HA   GLU  84           HA       GLU  84  11.667  19.041   1.834
   14   1HB   GLU  84          HB1       GLU  84  11.710  16.514   1.138
   15   2HB   GLU  84          HB2       GLU  84  11.510  17.135  -0.502
   16   1HG   GLU  84          HG1       GLU  84   9.304  16.696   0.358
   17   2HG   GLU  84          HG2       GLU  84   9.514  18.447   0.346
   18    H    ILE  85           HN       ILE  85  13.838  17.772  -0.747
   19    HA   ILE  85           HA       ILE  85  15.800  16.837   1.140
   20    HB   ILE  85           HB       ILE  85  17.214  16.441  -0.779
   21   1HG1  ILE  85          HG11      ILE  85  17.095  18.545  -1.937
   22   2HG1  ILE  85          HG12      ILE  85  15.354  18.401  -2.154
   23   1HG2  ILE  85          HG21      ILE  85  15.763  15.050  -2.069
   24   2HG2  ILE  85          HG22      ILE  85  14.372  16.088  -1.756
   25   3HG2  ILE  85          HG23      ILE  85  15.051  15.108  -0.457
   26   1HD1  ILE  85          HD11      ILE  85  15.587  16.704  -3.788
   27   2HD1  ILE  85          HD12      ILE  85  17.249  16.356  -3.314
   28   3HD1  ILE  85          HD13      ILE  85  16.874  17.846  -4.179
   29    H    ARG  86           HN       ARG  86  15.567  19.826  -0.805
   30    HA   ARG  86           HA       ARG  86  18.088  20.901   0.061
   31   1HB   ARG  86          HB1       ARG  86  15.600  22.421  -0.784
   32   2HB   ARG  86          HB2       ARG  86  16.802  21.763  -1.895
   33   1HG   ARG  86          HG1       ARG  86  18.547  23.127  -0.718
   34   2HG   ARG  86          HG2       ARG  86  17.266  23.859   0.249
   35   1HD   ARG  86          HD1       ARG  86  16.233  24.806  -1.718
   36   2HD   ARG  86          HD2       ARG  86  17.317  23.907  -2.781
   37    HE   ARG  86           HE       ARG  86  18.755  25.643  -0.942
   38   1HH1  ARG  86          HH11      ARG  86  19.793  27.418  -1.879
   39   2HH1  ARG  86          HH12      ARG  86  19.370  27.902  -3.487
   40   1HH2  ARG  86          HH21      ARG  86  17.002  25.402  -3.900
   41   2HH2  ARG  86          HH22      ARG  86  17.789  26.761  -4.632
   42    H    GLU  87           HN       GLU  87  14.756  21.385   1.313
   43    HA   GLU  87           HA       GLU  87  15.459  23.216   3.361
   44   1HB   GLU  87          HB1       GLU  87  13.334  21.051   3.524
   45   2HB   GLU  87          HB2       GLU  87  13.106  22.612   2.736
   46   1HG   GLU  87          HG1       GLU  87  13.530  23.771   4.852
   47   2HG   GLU  87          HG2       GLU  87  13.853  22.234   5.654
   48    H    ALA  88           HN       ALA  88  15.372  19.648   3.386
   49    HA   ALA  88           HA       ALA  88  16.228  19.332   6.100
   50   1HB   ALA  88          HB1       ALA  88  17.010  17.490   3.823
   51   2HB   ALA  88          HB2       ALA  88  15.372  17.518   4.475
   52   3HB   ALA  88          HB3       ALA  88  16.725  17.070   5.511
   53    H    PHE  89           HN       PHE  89  18.035  19.718   3.053
   54    HA   PHE  89           HA       PHE  89  20.639  19.406   4.188
   55   1HB   PHE  89          HB1       PHE  89  19.896  21.207   1.868
   56   2HB   PHE  89          HB2       PHE  89  20.060  19.457   1.723
   57    HD1  PHE  89           HD1      PHE  89  21.797  22.567   1.605
   58    HD2  PHE  89           HD2      PHE  89  22.285  18.427   2.639
   59    HE1  PHE  89           HE1      PHE  89  24.255  22.801   1.384
   60    HE2  PHE  89           HE2      PHE  89  24.743  18.662   2.419
   61    HZ   PHE  89           HZ       PHE  89  25.726  20.847   1.789
   62    H    ARG  90           HN       ARG  90  18.530  22.265   3.839
   63    HA   ARG  90           HA       ARG  90  20.514  24.090   4.903
   64   1HB   ARG  90          HB1       ARG  90  17.497  24.420   4.889
   65   2HB   ARG  90          HB2       ARG  90  18.521  24.772   3.499
   66   1HG   ARG  90          HG1       ARG  90  19.072  26.030   6.189
   67   2HG   ARG  90          HG2       ARG  90  17.879  26.724   5.097
   68   1HD   ARG  90          HD1       ARG  90  19.492  27.591   3.721
   69   2HD   ARG  90          HD2       ARG  90  20.429  26.103   3.743
   70    HE   ARG  90           HE       ARG  90  21.871  27.245   5.161
   71   1HH1  ARG  90          HH11      ARG  90  22.400  28.365   7.035
   72   2HH1  ARG  90          HH12      ARG  90  21.149  29.112   7.969
   73   1HH2  ARG  90          HH21      ARG  90  18.598  28.096   5.865
   74   2HH2  ARG  90          HH22      ARG  90  19.001  28.955   7.310
   75    H    VAL  91           HN       VAL  91  17.935  22.104   6.277
   76    HA   VAL  91           HA       VAL  91  17.986  23.258   8.900
   77    HB   VAL  91           HB       VAL  91  17.173  20.524   7.882
   78   1HG1  VAL  91          HG11      VAL  91  17.093  21.663  10.684
   79   2HG1  VAL  91          HG12      VAL  91  17.772  20.122  10.160
   80   3HG1  VAL  91          HG13      VAL  91  16.024  20.359  10.167
   81   1HG2  VAL  91          HG21      VAL  91  14.949  21.361   8.078
   82   2HG2  VAL  91          HG22      VAL  91  15.867  22.665   7.324
   83   3HG2  VAL  91          HG23      VAL  91  15.474  22.742   9.041
   84    H    PHE  92           HN       PHE  92  19.870  20.643   7.396
   85    HA   PHE  92           HA       PHE  92  21.266  20.036   9.886
   86   1HB   PHE  92          HB1       PHE  92  22.552  18.481   8.546
   87   2HB   PHE  92          HB2       PHE  92  22.126  19.336   7.076
   88    HD1  PHE  92           HD1      PHE  92  19.867  18.287   9.919
   89    HD2  PHE  92           HD2      PHE  92  20.938  17.763   5.788
   90    HE1  PHE  92           HE1      PHE  92  17.898  16.839   9.593
   91    HE2  PHE  92           HE2      PHE  92  18.952  16.319   5.468
   92    HZ   PHE  92           HZ       PHE  92  17.437  15.850   7.371
   93    H    ASP  93           HN       ASP  93  21.740  22.183   7.162
   94    HA   ASP  93           HA       ASP  93  24.537  22.754   7.864
   95   1HB   ASP  93          HB1       ASP  93  22.658  24.369   6.106
   96   2HB   ASP  93          HB2       ASP  93  23.619  23.006   5.526
   97    H    LYS  94           HN       LYS  94  23.956  23.126  10.131
   98    HA   LYS  94           HA       LYS  94  22.318  25.170  11.134
   99   1HB   LYS  94          HB1       LYS  94  25.007  24.389  12.271
  100   2HB   LYS  94          HB2       LYS  94  23.545  23.420  12.460
  101   1HG   LYS  94          HG1       LYS  94  22.422  25.311  13.563
  102   2HG   LYS  94          HG2       LYS  94  23.862  26.307  13.341
  103   1HD   LYS  94          HD1       LYS  94  25.144  24.946  14.829
  104   2HD   LYS  94          HD2       LYS  94  23.924  23.671  14.826
  105   1HE   LYS  94          HE1       LYS  94  23.428  26.472  15.876
  106   2HE   LYS  94          HE2       LYS  94  23.910  25.117  16.897
  107   1HZ   LYS  94          HZ1       LYS  94  21.388  25.564  15.469
  108   2HZ   LYS  94          HZ2       LYS  94  21.651  24.987  17.045
  109   3HZ   LYS  94          HZ3       LYS  94  21.910  23.968  15.711
  110    H    ASP  95           HN       ASP  95  25.667  25.442   9.925
  111    HA   ASP  95           HA       ASP  95  25.706  28.312  10.623
  112   1HB   ASP  95          HB1       ASP  95  27.758  27.025  10.975
  113   2HB   ASP  95          HB2       ASP  95  28.032  28.234   9.719
  114    H    GLY  96           HN       GLY  96  24.487  26.571   8.073
  115   1HA   GLY  96          HA1       GLY  96  24.027  28.911   6.486
  116   2HA   GLY  96          HA2       GLY  96  23.706  27.261   5.973
  117    H    ASN  97           HN       ASN  97  26.646  26.610   6.496
  118    HA   ASN  97           HA       ASN  97  28.124  28.255   4.565
  119   1HB   ASN  97          HB1       ASN  97  29.268  27.239   6.502
  120   2HB   ASN  97          HB2       ASN  97  29.958  26.659   4.985
  121   1HD2  ASN  97          HD21      ASN  97  26.965  25.240   5.179
  122   2HD2  ASN  97          HD22      ASN  97  27.389  23.782   5.939
  123    H    GLY  98           HN       GLY  98  25.786  25.959   4.067
  124   1HA   GLY  98          HA1       GLY  98  26.635  25.620   1.305
  125   2HA   GLY  98          HA2       GLY  98  25.160  24.981   2.023
  126    H    TYR  99           HN       TYR  99  27.611  24.049   4.025
  127    HA   TYR  99           HA       TYR  99  27.797  21.378   2.704
  128   1HB   TYR  99          HB1       TYR  99  30.137  21.232   3.084
  129   2HB   TYR  99          HB2       TYR  99  30.133  22.658   4.128
  130    HD1  TYR  99           HD1      TYR  99  29.418  21.560   0.622
  131    HD2  TYR  99           HD2      TYR  99  30.562  24.790   3.211
  132    HE1  TYR  99           HE1      TYR  99  29.846  22.993  -1.356
  133    HE2  TYR  99           HE2      TYR  99  30.991  26.223   1.233
  134    H    ILE 100           HN       ILE 100  27.685  19.646   4.119
  135    HA   ILE 100           HA       ILE 100  27.117  20.323   6.977
  136    HB   ILE 100           HB       ILE 100  26.614  17.737   5.468
  137   1HG1  ILE 100          HG11      ILE 100  25.322  19.716   4.603
  138   2HG1  ILE 100          HG12      ILE 100  24.655  19.929   6.222
  139   1HG2  ILE 100          HG21      ILE 100  25.652  18.773   8.153
  140   2HG2  ILE 100          HG22      ILE 100  26.801  17.459   7.901
  141   3HG2  ILE 100          HG23      ILE 100  25.121  17.270   7.399
  142   1HD1  ILE 100          HD11      ILE 100  23.749  17.612   6.120
  143   2HD1  ILE 100          HD12      ILE 100  24.361  17.467   4.472
  144   3HD1  ILE 100          HD13      ILE 100  23.094  18.637   4.842
  145    H    SER 101           HN       SER 101  28.573  19.837   8.494
  146    HA   SER 101           HA       SER 101  31.015  18.362   7.730
  147   1HB   SER 101          HB1       SER 101  30.803  20.528   9.235
  148   2HB   SER 101          HB2       SER 101  32.008  19.302   9.621
  149    HG   SER 101           HG       SER 101  30.770  18.529  11.224
  150    H    ALA 102           HN       ALA 102  31.807  16.584   9.104
  151    HA   ALA 102           HA       ALA 102  29.857  14.554   9.454
  152   1HB   ALA 102          HB1       ALA 102  32.426  14.327   9.224
  153   2HB   ALA 102          HB2       ALA 102  31.608  13.201  10.306
  154   3HB   ALA 102          HB3       ALA 102  32.473  14.589  10.967
  155    H    ALA 103           HN       ALA 103  31.420  16.669  11.867
  156    HA   ALA 103           HA       ALA 103  30.072  15.557  14.137
  157   1HB   ALA 103          HB1       ALA 103  31.216  18.320  13.631
  158   2HB   ALA 103          HB2       ALA 103  31.985  16.989  14.496
  159   3HB   ALA 103          HB3       ALA 103  30.584  17.802  15.194
  160    H    GLU 104           HN       GLU 104  29.143  17.987  11.742
  161    HA   GLU 104           HA       GLU 104  26.798  18.897  13.152
  162   1HB   GLU 104          HB1       GLU 104  26.047  19.490  10.732
  163   2HB   GLU 104          HB2       GLU 104  27.658  18.947  10.257
  164   1HG   GLU 104          HG1       GLU 104  28.660  20.567  11.837
  165   2HG   GLU 104          HG2       GLU 104  27.047  21.109  12.298
  166    H    LEU 105           HN       LEU 105  27.525  16.248  10.933
  167    HA   LEU 105           HA       LEU 105  24.839  15.353  10.552
  168   1HB   LEU 105          HB1       LEU 105  27.152  13.424  10.696
  169   2HB   LEU 105          HB2       LEU 105  27.076  14.595   9.379
  170    HG   LEU 105           HG       LEU 105  24.631  12.941  10.020
  171   1HD1  LEU 105          HD11      LEU 105  24.396  14.724   8.370
  172   2HD1  LEU 105          HD12      LEU 105  24.327  13.169   7.545
  173   3HD1  LEU 105          HD13      LEU 105  25.801  14.133   7.483
  174   1HD2  LEU 105          HD21      LEU 105  25.531  11.319   8.222
  175   2HD2  LEU 105          HD22      LEU 105  26.214  11.184   9.841
  176   3HD2  LEU 105          HD23      LEU 105  27.116  12.010   8.571
  177    H    ARG 106           HN       ARG 106  27.256  14.860  13.048
  178    HA   ARG 106           HA       ARG 106  25.897  12.779  14.488
  179   1HB   ARG 106          HB1       ARG 106  27.777  14.874  15.605
  180   2HB   ARG 106          HB2       ARG 106  28.312  13.414  14.772
  181   1HG   ARG 106          HG1       ARG 106  27.177  12.024  16.448
  182   2HG   ARG 106          HG2       ARG 106  26.575  13.469  17.260
  183   1HD   ARG 106          HD1       ARG 106  28.814  14.157  17.841
  184   2HD   ARG 106          HD2       ARG 106  29.519  12.892  16.835
  185    HE   ARG 106           HE       ARG 106  27.776  11.818  18.899
  186   1HH1  ARG 106          HH11      ARG 106  28.806  10.665  20.548
  187   2HH1  ARG 106          HH12      ARG 106  30.518  10.821  20.756
  188   1HH2  ARG 106          HH21      ARG 106  30.902  13.046  18.124
  189   2HH2  ARG 106          HH22      ARG 106  31.706  12.169  19.384
  190    H    HIS 107           HN       HIS 107  25.749  16.314  14.560
  191    HA   HIS 107           HA       HIS 107  24.138  16.537  16.954
  192   1HB   HIS 107          HB1       HIS 107  24.432  18.394  14.572
  193   2HB   HIS 107          HB2       HIS 107  25.362  18.460  16.069
  194    HD1  HIS 107           HD1      HIS 107  23.701  18.682  18.314
  195    HD2  HIS 107           HD2      HIS 107  22.218  20.030  14.659
  196    HE1  HIS 107           HE1      HIS 107  21.772  20.232  18.852
  197    H    VAL 108           HN       VAL 108  23.239  16.705  13.474
  198    HA   VAL 108           HA       VAL 108  20.417  16.788  14.025
  199    HB   VAL 108           HB       VAL 108  20.086  16.478  11.680
  200   1HG1  VAL 108          HG11      VAL 108  22.005  17.989  10.741
  201   2HG1  VAL 108          HG12      VAL 108  22.544  18.073  12.409
  202   3HG1  VAL 108          HG13      VAL 108  20.937  18.646  11.976
  203   1HG2  VAL 108          HG21      VAL 108  22.116  15.828  10.244
  204   2HG2  VAL 108          HG22      VAL 108  21.364  14.541  11.185
  205   3HG2  VAL 108          HG23      VAL 108  22.853  15.290  11.749
  206    H    MET 109           HN       MET 109  22.589  14.089  13.143
  207    HA   MET 109           HA       MET 109  20.524  12.105  13.113
  208   1HB   MET 109          HB1       MET 109  22.443  10.488  13.472
  209   2HB   MET 109          HB2       MET 109  23.511  11.884  13.569
  210   1HG   MET 109          HG1       MET 109  23.554  11.092  11.291
  211   2HG   MET 109          HG2       MET 109  22.640  12.598  11.309
  212   1HE   MET 109          HE1       MET 109  20.434  11.187   8.715
  213   2HE   MET 109          HE2       MET 109  22.050  11.835   8.985
  214   3HE   MET 109          HE3       MET 109  20.651  12.664   9.665
  215    H    THR 110           HN       THR 110  22.653  13.277  15.702
  216    HA   THR 110           HA       THR 110  21.860  11.321  17.640
  217    HB   THR 110           HB       THR 110  22.925  14.134  17.999
  218    HG1  THR 110           HG1      THR 110  24.149  12.316  16.943
  219   1HG2  THR 110          HG21      THR 110  23.585  13.196  20.279
  220   2HG2  THR 110          HG22      THR 110  22.456  11.879  19.957
  221   3HG2  THR 110          HG23      THR 110  21.869  13.540  20.056
  222    H    ASN 111           HN       ASN 111  20.589  14.601  16.941
  223    HA   ASN 111           HA       ASN 111  18.596  14.316  19.061
  224   1HB   ASN 111          HB1       ASN 111  18.622  16.369  16.829
  225   2HB   ASN 111          HB2       ASN 111  19.579  16.535  18.302
  226   1HD2  ASN 111          HD21      ASN 111  17.780  18.534  18.024
  227   2HD2  ASN 111          HD22      ASN 111  16.412  18.304  19.003
  228    H    LEU 112           HN       LEU 112  18.715  13.732  15.595
  229    HA   LEU 112           HA       LEU 112  15.891  13.604  15.113
  230   1HB   LEU 112          HB1       LEU 112  16.683  11.939  13.255
  231   2HB   LEU 112          HB2       LEU 112  18.301  12.378  13.788
  232    HG   LEU 112           HG       LEU 112  17.503  14.841  13.505
  233   1HD1  LEU 112          HD11      LEU 112  17.781  13.116  11.024
  234   2HD1  LEU 112          HD12      LEU 112  19.135  13.646  12.019
  235   3HD1  LEU 112          HD13      LEU 112  18.159  14.833  11.158
  236   1HD2  LEU 112          HD21      LEU 112  15.142  14.584  13.190
  237   2HD2  LEU 112          HD22      LEU 112  15.363  13.315  11.988
  238   3HD2  LEU 112          HD23      LEU 112  15.782  14.980  11.599
  239    H    GLY 113           HN       GLY 113  17.666  11.790  17.249
  240   1HA   GLY 113          HA1       GLY 113  15.588   9.645  17.238
  241   2HA   GLY 113          HA2       GLY 113  16.614  10.072  18.605
  242    H    GLU 114           HN       GLU 114  18.446   9.997  15.776
  243    HA   GLU 114           HA       GLU 114  19.084   7.093  15.995
  244   1HB   GLU 114          HB1       GLU 114  20.450   7.476  13.983
  245   2HB   GLU 114          HB2       GLU 114  20.131   9.208  14.081
  246   1HG   GLU 114          HG1       GLU 114  17.734   8.806  13.758
  247   2HG   GLU 114          HG2       GLU 114  18.010   7.063  13.740
  248    H    LYS 115           HN       LYS 115  20.714   6.540  17.407
  249    HA   LYS 115           HA       LYS 115  22.742   8.636  18.088
  250   1HB   LYS 115          HB1       LYS 115  23.215   7.167  20.081
  251   2HB   LYS 115          HB2       LYS 115  21.865   6.145  19.583
  252   1HG   LYS 115          HG1       LYS 115  20.325   8.032  19.791
  253   2HG   LYS 115          HG2       LYS 115  21.662   9.115  20.178
  254   1HD   LYS 115          HD1       LYS 115  22.145   7.761  22.202
  255   2HD   LYS 115          HD2       LYS 115  20.772   6.721  21.819
  256   1HE   LYS 115          HE1       LYS 115  20.746   9.643  22.597
  257   2HE   LYS 115          HE2       LYS 115  19.936   8.296  23.398
  258   1HZ   LYS 115          HZ1       LYS 115  18.713   8.029  21.191
  259   2HZ   LYS 115          HZ2       LYS 115  19.253   9.601  20.839
  260   3HZ   LYS 115          HZ3       LYS 115  18.261   9.323  22.190
  261    H    LEU 116           HN       LEU 116  24.273   8.398  16.560
  262    HA   LEU 116           HA       LEU 116  25.372   5.669  15.989
  263   1HB   LEU 116          HB1       LEU 116  26.280   6.655  13.977
  264   2HB   LEU 116          HB2       LEU 116  25.831   8.273  14.516
  265    HG   LEU 116           HG       LEU 116  23.437   7.591  14.480
  266   1HD1  LEU 116          HD11      LEU 116  23.227   7.544  12.021
  267   2HD1  LEU 116          HD12      LEU 116  24.934   7.125  11.881
  268   3HD1  LEU 116          HD13      LEU 116  24.462   8.698  12.525
  269   1HD2  LEU 116          HD21      LEU 116  23.035   5.424  13.074
  270   2HD2  LEU 116          HD22      LEU 116  23.434   5.249  14.780
  271   3HD2  LEU 116          HD23      LEU 116  24.677   4.994  13.554
  272    H    THR 117           HN       THR 117  27.608   5.322  16.141
  273    HA   THR 117           HA       THR 117  28.980   6.997  18.127
  274    HB   THR 117           HB       THR 117  30.690   5.291  18.110
  275    HG1  THR 117           HG1      THR 117  30.243   5.164  15.622
  276   1HG2  THR 117          HG21      THR 117  28.424   4.743  19.116
  277   2HG2  THR 117          HG22      THR 117  29.404   3.346  18.671
  278   3HG2  THR 117          HG23      THR 117  28.070   3.854  17.635
  279    H    ASP 118           HN       ASP 118  31.286   7.736  17.591
  280    HA   ASP 118           HA       ASP 118  31.279   9.433  15.330
  281   1HB   ASP 118          HB1       ASP 118  33.822   9.499  15.716
  282   2HB   ASP 118          HB2       ASP 118  33.533   8.365  17.040
  283    H    GLU 119           HN       GLU 119  32.532   6.117  15.670
  284    HA   GLU 119           HA       GLU 119  33.799   6.133  13.076
  285   1HB   GLU 119          HB1       GLU 119  32.786   3.729  14.626
  286   2HB   GLU 119          HB2       GLU 119  34.345   4.501  14.917
  287   1HG   GLU 119          HG1       GLU 119  33.478   3.385  12.232
  288   2HG   GLU 119          HG2       GLU 119  34.473   2.504  13.391
  289    H    GLU 120           HN       GLU 120  30.598   5.145  14.262
  290    HA   GLU 120           HA       GLU 120  29.666   4.066  11.758
  291   1HB   GLU 120          HB1       GLU 120  27.378   4.560  12.727
  292   2HB   GLU 120          HB2       GLU 120  28.195   5.285  14.114
  293   1HG   GLU 120          HG1       GLU 120  29.354   3.150  14.544
  294   2HG   GLU 120          HG2       GLU 120  28.559   2.431  13.144
  295    H    VAL 121           HN       VAL 121  29.670   7.329  13.164
  296    HA   VAL 121           HA       VAL 121  28.154   8.454  10.974
  297    HB   VAL 121           HB       VAL 121  29.975   9.751  13.037
  298   1HG1  VAL 121          HG11      VAL 121  28.316  10.927  10.813
  299   2HG1  VAL 121          HG12      VAL 121  29.960  11.332  11.303
  300   3HG1  VAL 121          HG13      VAL 121  28.597  11.843  12.294
  301   1HG2  VAL 121          HG21      VAL 121  27.692  10.561  13.879
  302   2HG2  VAL 121          HG22      VAL 121  28.051   8.850  14.109
  303   3HG2  VAL 121          HG23      VAL 121  26.987   9.360  12.797
  304    H    ASP 122           HN       ASP 122  31.647   8.339  11.738
  305    HA   ASP 122           HA       ASP 122  32.587   9.680   9.420
  306   1HB   ASP 122          HB1       ASP 122  34.599   8.163   9.644
  307   2HB   ASP 122          HB2       ASP 122  33.733   7.295  10.912
  308    H    GLU 123           HN       GLU 123  31.576   6.285   9.875
  309    HA   GLU 123           HA       GLU 123  32.186   5.340   7.268
  310   1HB   GLU 123          HB1       GLU 123  29.770   4.587   8.944
  311   2HB   GLU 123          HB2       GLU 123  31.387   3.938   9.204
  312   1HG   GLU 123          HG1       GLU 123  30.313   2.324   7.835
  313   2HG   GLU 123          HG2       GLU 123  31.319   3.245   6.720
  314    H    MET 124           HN       MET 124  29.278   7.001   8.519
  315    HA   MET 124           HA       MET 124  27.801   6.904   6.067
  316   1HB   MET 124          HB1       MET 124  26.655   8.986   7.063
  317   2HB   MET 124          HB2       MET 124  27.697   8.752   8.461
  318   1HG   MET 124          HG1       MET 124  25.727   7.553   8.994
  319   2HG   MET 124          HG2       MET 124  26.850   6.308   8.447
  320   1HE   MET 124          HE1       MET 124  23.336   7.246   8.343
  321   2HE   MET 124          HE2       MET 124  24.007   5.652   8.680
  322   3HE   MET 124          HE3       MET 124  22.922   5.871   7.310
  323    H    ILE 125           HN       ILE 125  30.083   9.346   7.339
  324    HA   ILE 125           HA       ILE 125  29.707  11.164   5.136
  325    HB   ILE 125           HB       ILE 125  31.905  10.827   7.191
  326   1HG1  ILE 125          HG11      ILE 125  29.607  12.751   6.768
  327   2HG1  ILE 125          HG12      ILE 125  30.995  13.220   7.740
  328   1HG2  ILE 125          HG21      ILE 125  32.680  13.119   6.311
  329   2HG2  ILE 125          HG22      ILE 125  31.747  12.750   4.861
  330   3HG2  ILE 125          HG23      ILE 125  33.095  11.714   5.330
  331   1HD1  ILE 125          HD11      ILE 125  30.648  11.130   9.099
  332   2HD1  ILE 125          HD12      ILE 125  29.142  10.876   8.216
  333   3HD1  ILE 125          HD13      ILE 125  29.343  12.302   9.227
  334    H    ARG 126           HN       ARG 126  32.115   8.610   5.789
  335    HA   ARG 126           HA       ARG 126  33.679   9.058   3.455
  336   1HB   ARG 126          HB1       ARG 126  33.183   6.397   4.818
  337   2HB   ARG 126          HB2       ARG 126  34.336   7.602   5.392
  338   1HG   ARG 126          HG1       ARG 126  35.541   7.477   3.245
  339   2HG   ARG 126          HG2       ARG 126  34.377   6.290   2.656
  340   1HD   ARG 126          HD1       ARG 126  35.050   4.702   4.356
  341   2HD   ARG 126          HD2       ARG 126  36.073   5.906   5.139
  342    HE   ARG 126           HE       ARG 126  36.819   5.450   2.364
  343   1HH1  ARG 126          HH11      ARG 126  38.798   4.408   2.039
  344   2HH1  ARG 126          HH12      ARG 126  39.554   3.583   3.362
  345   1HH2  ARG 126          HH21      ARG 126  37.045   4.359   5.626
  346   2HH2  ARG 126          HH22      ARG 126  38.562   3.556   5.393
  347    H    GLU 127           HN       GLU 127  30.851   6.940   3.974
  348    HA   GLU 127           HA       GLU 127  30.922   5.817   1.342
  349   1HB   GLU 127          HB1       GLU 127  28.470   6.220   3.085
  350   2HB   GLU 127          HB2       GLU 127  29.610   4.888   3.282
  351   1HG   GLU 127          HG1       GLU 127  28.133   5.476   0.699
  352   2HG   GLU 127          HG2       GLU 127  27.582   4.308   1.900
  353    H    ALA 128           HN       ALA 128  29.314   8.672   2.697
  354    HA   ALA 128           HA       ALA 128  28.063   9.317   0.107
  355   1HB   ALA 128          HB1       ALA 128  26.825   9.793   2.158
  356   2HB   ALA 128          HB2       ALA 128  27.196  11.304   1.329
  357   3HB   ALA 128          HB3       ALA 128  28.135  10.817   2.740
  358    H    ASP 129           HN       ASP 129  30.994  10.083   1.798
  359    HA   ASP 129           HA       ASP 129  31.460  12.583   0.324
  360   1HB   ASP 129          HB1       ASP 129  33.321  10.900   2.034
  361   2HB   ASP 129          HB2       ASP 129  32.404  12.307   2.577
  362    H    ILE 130           HN       ILE 130  31.596  12.207  -1.838
  363    HA   ILE 130           HA       ILE 130  33.122   9.913  -2.891
  364    HB   ILE 130           HB       ILE 130  31.573  12.128  -4.247
  365   1HG1  ILE 130          HG11      ILE 130  30.279  10.465  -2.860
  366   2HG1  ILE 130          HG12      ILE 130  30.917   9.184  -3.890
  367   1HG2  ILE 130          HG21      ILE 130  33.003   9.683  -5.323
  368   2HG2  ILE 130          HG22      ILE 130  33.222  11.363  -5.810
  369   3HG2  ILE 130          HG23      ILE 130  31.739  10.511  -6.232
  370   1HD1  ILE 130          HD11      ILE 130  29.931  10.386  -5.870
  371   2HD1  ILE 130          HD12      ILE 130  29.169  11.510  -4.745
  372   3HD1  ILE 130          HD13      ILE 130  28.726   9.803  -4.723
  373    H    ASP 131           HN       ASP 131  33.527  13.419  -2.554
  374    HA   ASP 131           HA       ASP 131  35.844  13.398  -4.374
  375   1HB   ASP 131          HB1       ASP 131  34.354  15.361  -4.331
  376   2HB   ASP 131          HB2       ASP 131  35.986  15.809  -3.833
  377    H    GLY 132           HN       GLY 132  35.389  12.377  -1.290
  378   1HA   GLY 132          HA1       GLY 132  38.161  12.198  -0.680
  379   2HA   GLY 132          HA2       GLY 132  36.860  11.950   0.484
  380    H    ASP 133           HN       ASP 133  35.901  13.974   1.427
  381    HA   ASP 133           HA       ASP 133  38.043  16.019   1.836
  382   1HB   ASP 133          HB1       ASP 133  36.256  16.876   0.251
  383   2HB   ASP 133          HB2       ASP 133  36.450  17.832   1.720
  384    H    GLY 134           HN       GLY 134  35.685  13.914   3.075
  385   1HA   GLY 134          HA1       GLY 134  36.414  14.688   5.825
  386   2HA   GLY 134          HA2       GLY 134  35.518  13.246   5.352
  387    H    GLN 135           HN       GLN 135  33.934  15.470   3.651
  388    HA   GLN 135           HA       GLN 135  31.920  15.872   5.807
  389   1HB   GLN 135          HB1       GLN 135  31.591  18.228   5.112
  390   2HB   GLN 135          HB2       GLN 135  32.939  18.076   3.984
  391   1HG   GLN 135          HG1       GLN 135  34.470  17.615   5.840
  392   2HG   GLN 135          HG2       GLN 135  33.129  17.664   6.985
  393   1HE2  GLN 135          HE21      GLN 135  34.468  19.496   7.986
  394   2HE2  GLN 135          HE22      GLN 135  34.291  21.056   7.340
  395    H    VAL 136           HN       VAL 136  29.758  16.433   4.887
  396    HA   VAL 136           HA       VAL 136  29.416  15.207   2.162
  397    HB   VAL 136           HB       VAL 136  27.388  15.515   4.397
  398   1HG1  VAL 136          HG11      VAL 136  26.151  13.836   2.977
  399   2HG1  VAL 136          HG12      VAL 136  27.353  14.109   1.716
  400   3HG1  VAL 136          HG13      VAL 136  26.311  15.431   2.241
  401   1HG2  VAL 136          HG21      VAL 136  27.766  13.217   4.908
  402   2HG2  VAL 136          HG22      VAL 136  29.377  13.919   4.776
  403   3HG2  VAL 136          HG23      VAL 136  28.720  12.970   3.446
  404    H    ASN 137           HN       ASN 137  28.782  16.510   0.567
  405    HA   ASN 137           HA       ASN 137  27.757  19.232   1.209
  406   1HB   ASN 137          HB1       ASN 137  29.486  19.433  -0.360
  407   2HB   ASN 137          HB2       ASN 137  28.060  19.428  -1.395
  408   1HD2  ASN 137          HD21      ASN 137  30.868  17.537  -0.384
  409   2HD2  ASN 137          HD22      ASN 137  30.685  16.309  -1.541
  410    H    TYR 138           HN       TYR 138  26.048  19.934  -0.605
  411    HA   TYR 138           HA       TYR 138  23.672  18.464  -0.109
  412   1HB   TYR 138          HB1       TYR 138  24.300  20.402  -2.355
  413   2HB   TYR 138          HB2       TYR 138  23.627  20.813  -0.777
  414    HD1  TYR 138           HD1      TYR 138  22.772  20.220  -4.118
  415    HD2  TYR 138           HD2      TYR 138  21.486  19.272  -0.130
  416    HE1  TYR 138           HE1      TYR 138  20.487  19.758  -4.961
  417    HE2  TYR 138           HE2      TYR 138  19.206  18.812  -0.973
  418    H    GLU 139           HN       GLU 139  25.727  18.432  -3.081
  419    HA   GLU 139           HA       GLU 139  24.070  16.662  -4.552
  420   1HB   GLU 139          HB1       GLU 139  25.957  16.270  -5.951
  421   2HB   GLU 139          HB2       GLU 139  27.093  16.645  -4.654
  422   1HG   GLU 139          HG1       GLU 139  26.372  18.982  -4.662
  423   2HG   GLU 139          HG2       GLU 139  25.137  18.624  -5.869
  424    H    GLU 140           HN       GLU 140  26.762  15.952  -2.339
  425    HA   GLU 140           HA       GLU 140  26.618  13.093  -2.610
  426   1HB   GLU 140          HB1       GLU 140  27.840  13.163  -0.369
  427   2HB   GLU 140          HB2       GLU 140  27.730  14.921  -0.478
  428   1HG   GLU 140          HG1       GLU 140  28.835  14.776  -2.733
  429   2HG   GLU 140          HG2       GLU 140  29.067  13.050  -2.457
  430    H    PHE 141           HN       PHE 141  25.090  15.401  -0.375
  431    HA   PHE 141           HA       PHE 141  23.908  13.480   1.373
  432   1HB   PHE 141          HB1       PHE 141  22.613  16.101   0.600
  433   2HB   PHE 141          HB2       PHE 141  24.022  16.042   1.656
  434    HD1  PHE 141           HD1      PHE 141  23.911  14.498   3.714
  435    HD2  PHE 141           HD2      PHE 141  20.448  15.738   1.495
  436    HE1  PHE 141           HE1      PHE 141  22.470  13.924   5.647
  437    HE2  PHE 141           HE2      PHE 141  19.005  15.163   3.430
  438    HZ   PHE 141           HZ       PHE 141  20.019  14.252   5.506
  439    H    VAL 142           HN       VAL 142  22.715  14.982  -1.631
  440    HA   VAL 142           HA       VAL 142  20.143  13.736  -1.641
  441    HB   VAL 142           HB       VAL 142  21.889  14.605  -3.967
  442   1HG1  VAL 142          HG11      VAL 142  18.999  13.742  -3.778
  443   2HG1  VAL 142          HG12      VAL 142  20.254  13.111  -4.843
  444   3HG1  VAL 142          HG13      VAL 142  19.604  14.729  -5.108
  445   1HG2  VAL 142          HG21      VAL 142  19.501  16.021  -2.764
  446   2HG2  VAL 142          HG22      VAL 142  20.723  16.677  -3.853
  447   3HG2  VAL 142          HG23      VAL 142  21.137  16.311  -2.180
  448    H    GLN 143           HN       GLN 143  23.197  12.700  -3.248
  449    HA   GLN 143           HA       GLN 143  22.103  10.309  -4.316
  450   1HB   GLN 143          HB1       GLN 143  24.950  10.758  -3.363
  451   2HB   GLN 143          HB2       GLN 143  24.331  11.229  -4.946
  452   1HG   GLN 143          HG1       GLN 143  23.758   8.851  -5.398
  453   2HG   GLN 143          HG2       GLN 143  24.453   8.406  -3.838
  454   1HE2  GLN 143          HE21      GLN 143  25.897   7.074  -5.448
  455   2HE2  GLN 143          HE22      GLN 143  27.292   7.851  -6.024
  456    H    MET 144           HN       MET 144  23.615  10.923  -1.158
  457    HA   MET 144           HA       MET 144  23.532   8.195  -0.259
  458   1HB   MET 144          HB1       MET 144  23.434  10.739   1.380
  459   2HB   MET 144          HB2       MET 144  24.921   9.976   0.807
  460   1HG   MET 144          HG1       MET 144  24.744   9.110   2.976
  461   2HG   MET 144          HG2       MET 144  23.968   7.845   2.026
  462   1HE   MET 144          HE1       MET 144  23.824  10.240   4.821
  463   2HE   MET 144          HE2       MET 144  22.158  10.792   4.981
  464   3HE   MET 144          HE3       MET 144  23.139  11.354   3.630
  465    H    MET 145           HN       MET 145  21.200  10.872  -0.016
  466    HA   MET 145           HA       MET 145  19.341   9.192   1.571
  467   1HB   MET 145          HB1       MET 145  18.037  11.182   1.828
  468   2HB   MET 145          HB2       MET 145  18.895  11.985   0.511
  469   1HG   MET 145          HG1       MET 145  20.371  12.814   2.040
  470   2HG   MET 145          HG2       MET 145  20.883  11.175   2.420
  471   1HE   MET 145          HE1       MET 145  18.962  10.017   5.339
  472   2HE   MET 145          HE2       MET 145  19.790   9.645   3.829
  473   3HE   MET 145          HE3       MET 145  18.052   9.926   3.825
  474    H    THR 146           HN       THR 146  19.718  10.392  -1.716
  475    HA   THR 146           HA       THR 146  17.089  10.124  -2.669
  476    HB   THR 146           HB       THR 146  19.704   9.471  -4.061
  477    HG1  THR 146           HG1      THR 146  18.022  11.733  -3.882
  478   1HG2  THR 146          HG21      THR 146  18.262   9.900  -6.143
  479   2HG2  THR 146          HG22      THR 146  16.870   9.644  -5.090
  480   3HG2  THR 146          HG23      THR 146  18.042   8.349  -5.332
  481    H    ALA 147           HN       ALA 147  19.616   7.602  -2.456
  482    HA   ALA 147           HA       ALA 147  19.425   5.261  -2.617
  483   1HB   ALA 147          HB1       ALA 147  17.744   4.313  -1.134
  484   2HB   ALA 147          HB2       ALA 147  16.830   5.822  -1.152
  485   3HB   ALA 147          HB3       ALA 147  18.415   5.760  -0.380
  486    H    LYS 148           HN       LYS 148  16.593   4.054  -2.558
  487    HA   LYS 148           HA       LYS 148  15.377   4.877  -5.068
  488   1HB   LYS 148          HB1       LYS 148  17.226   3.691  -6.060
  489   2HB   LYS 148          HB2       LYS 148  15.808   2.651  -6.198
  490   1HG   LYS 148          HG1       LYS 148  16.543   1.537  -4.044
  491   2HG   LYS 148          HG2       LYS 148  18.045   2.452  -4.162
  492   1HD   LYS 148          HD1       LYS 148  16.973   0.486  -6.212
  493   2HD   LYS 148          HD2       LYS 148  18.346   0.222  -5.139
  494   1HE   LYS 148          HE1       LYS 148  18.121   2.079  -7.500
  495   2HE   LYS 148          HE2       LYS 148  19.377   0.896  -7.138
  496   1HZ   LYS 148          HZ1       LYS 148  19.633   2.459  -5.035
  497   2HZ   LYS 148          HZ2       LYS 148  19.033   3.610  -6.131
  498   3HZ   LYS 148          HZ3       LYS 148  20.456   2.754  -6.488
  Start of MODEL    3
    1    HA   GLU  82           HA       GLU  82  23.350  29.033  20.309
    2   1HB   GLU  82          HB1       GLU  82  23.711  26.813  21.321
    3   2HB   GLU  82          HB2       GLU  82  24.835  27.519  22.484
    4   1HG   GLU  82          HG1       GLU  82  26.376  28.125  20.730
    5   2HG   GLU  82          HG2       GLU  82  25.207  27.697  19.481
    6    H    GLU  83           HN       GLU  83  23.306  30.844  22.993
    7    HA   GLU  83           HA       GLU  83  21.455  29.487  24.720
    8   1HB   GLU  83          HB1       GLU  83  21.591  32.481  24.252
    9   2HB   GLU  83          HB2       GLU  83  22.761  31.617  25.247
   10   1HG   GLU  83          HG1       GLU  83  21.096  32.437  26.756
   11   2HG   GLU  83          HG2       GLU  83  20.765  30.715  26.570
   12    H    GLU  84           HN       GLU  84  21.078  31.498  21.836
   13    HA   GLU  84           HA       GLU  84  18.232  31.755  21.968
   14   1HB   GLU  84          HB1       GLU  84  18.686  31.935  19.298
   15   2HB   GLU  84          HB2       GLU  84  20.345  32.095  19.874
   16   1HG   GLU  84          HG1       GLU  84  19.422  34.315  19.727
   17   2HG   GLU  84          HG2       GLU  84  19.539  33.907  21.439
   18    H    ILE  85           HN       ILE  85  20.383  29.326  20.497
   19    HA   ILE  85           HA       ILE  85  18.364  27.871  19.106
   20    HB   ILE  85           HB       ILE  85  20.925  26.797  20.329
   21   1HG1  ILE  85          HG11      ILE  85  21.211  28.804  18.833
   22   2HG1  ILE  85          HG12      ILE  85  20.433  27.887  17.541
   23   1HG2  ILE  85          HG21      ILE  85  19.380  25.039  19.607
   24   2HG2  ILE  85          HG22      ILE  85  20.742  25.133  18.492
   25   3HG2  ILE  85          HG23      ILE  85  19.185  25.827  18.042
   26   1HD1  ILE  85          HD11      ILE  85  22.866  27.700  17.335
   27   2HD1  ILE  85          HD12      ILE  85  22.188  26.134  17.782
   28   3HD1  ILE  85          HD13      ILE  85  22.984  27.129  18.999
   29    H    ARG  86           HN       ARG  86  19.707  27.426  22.393
   30    HA   ARG  86           HA       ARG  86  18.066  25.163  23.046
   31   1HB   ARG  86          HB1       ARG  86  19.180  27.277  24.918
   32   2HB   ARG  86          HB2       ARG  86  20.064  25.854  24.365
   33   1HG   ARG  86          HG1       ARG  86  18.238  24.426  25.333
   34   2HG   ARG  86          HG2       ARG  86  17.509  25.887  26.001
   35   1HD   ARG  86          HD1       ARG  86  19.478  26.321  27.347
   36   2HD   ARG  86          HD2       ARG  86  20.352  24.999  26.571
   37    HE   ARG  86           HE       ARG  86  17.893  24.107  27.845
   38   1HH1  ARG  86          HH11      ARG  86  18.153  22.808  29.675
   39   2HH1  ARG  86          HH12      ARG  86  19.694  22.746  30.465
   40   1HH2  ARG  86          HH21      ARG  86  21.209  24.951  28.258
   41   2HH2  ARG  86          HH22      ARG  86  21.425  23.960  29.663
   42    H    GLU  87           HN       GLU  87  17.593  28.680  23.600
   43    HA   GLU  87           HA       GLU  87  15.103  28.420  24.945
   44   1HB   GLU  87          HB1       GLU  87  15.912  30.660  23.062
   45   2HB   GLU  87          HB2       GLU  87  16.438  30.547  24.742
   46   1HG   GLU  87          HG1       GLU  87  14.128  30.660  25.513
   47   2HG   GLU  87          HG2       GLU  87  13.538  30.625  23.852
   48    H    ALA  88           HN       ALA  88  15.830  28.803  21.464
   49    HA   ALA  88           HA       ALA  88  13.109  28.734  20.577
   50   1HB   ALA  88          HB1       ALA  88  14.154  27.854  18.412
   51   2HB   ALA  88          HB2       ALA  88  15.708  27.922  19.244
   52   3HB   ALA  88          HB3       ALA  88  14.779  29.399  18.988
   53    H    PHE  89           HN       PHE  89  15.478  26.139  21.187
   54    HA   PHE  89           HA       PHE  89  13.824  23.987  20.296
   55   1HB   PHE  89          HB1       PHE  89  15.876  23.922  22.531
   56   2HB   PHE  89          HB2       PHE  89  16.284  23.832  20.818
   57    HD1  PHE  89           HD1      PHE  89  15.388  21.927  19.429
   58    HD2  PHE  89           HD2      PHE  89  15.044  22.023  23.709
   59    HE1  PHE  89           HE1      PHE  89  14.937  19.489  19.447
   60    HE2  PHE  89           HE2      PHE  89  14.592  19.585  23.726
   61    HZ   PHE  89           HZ       PHE  89  14.538  18.320  21.595
   62    H    ARG  90           HN       ARG  90  14.122  25.592  23.474
   63    HA   ARG  90           HA       ARG  90  12.267  23.792  24.783
   64   1HB   ARG  90          HB1       ARG  90  12.974  26.636  25.565
   65   2HB   ARG  90          HB2       ARG  90  13.961  25.233  25.974
   66   1HG   ARG  90          HG1       ARG  90  12.112  24.252  27.227
   67   2HG   ARG  90          HG2       ARG  90  11.041  25.563  26.731
   68   1HD   ARG  90          HD1       ARG  90  13.580  25.927  28.352
   69   2HD   ARG  90          HD2       ARG  90  11.953  25.886  29.033
   70    HE   ARG  90           HE       ARG  90  12.215  27.867  26.921
   71   1HH1  ARG  90          HH11      ARG  90  12.123  30.026  27.580
   72   2HH1  ARG  90          HH12      ARG  90  12.325  30.415  29.256
   73   1HH2  ARG  90          HH21      ARG  90  12.746  27.118  30.243
   74   2HH2  ARG  90          HH22      ARG  90  12.677  28.768  30.764
   75    H    VAL  91           HN       VAL  91  11.956  26.847  23.017
   76    HA   VAL  91           HA       VAL  91   9.224  27.325  23.779
   77    HB   VAL  91           HB       VAL  91  10.845  28.251  21.392
   78   1HG1  VAL  91          HG11      VAL  91   8.036  28.966  22.275
   79   2HG1  VAL  91          HG12      VAL  91   8.541  28.359  20.702
   80   3HG1  VAL  91          HG13      VAL  91   8.991  29.987  21.202
   81   1HG2  VAL  91          HG21      VAL  91  11.371  28.981  23.825
   82   2HG2  VAL  91          HG22      VAL  91   9.849  29.866  23.748
   83   3HG2  VAL  91          HG23      VAL  91  11.153  30.254  22.625
   84    H    PHE  92           HN       PHE  92  10.715  25.394  21.202
   85    HA   PHE  92           HA       PHE  92   8.112  24.857  19.951
   86   1HB   PHE  92          HB1       PHE  92   9.324  23.395  18.458
   87   2HB   PHE  92          HB2       PHE  92  10.702  23.337  19.544
   88    HD1  PHE  92           HD1      PHE  92  11.966  23.904  17.414
   89    HD2  PHE  92           HD2      PHE  92   9.266  26.691  19.276
   90    HE1  PHE  92           HE1      PHE  92  13.027  25.771  16.190
   91    HE2  PHE  92           HE2      PHE  92  10.340  28.541  18.058
   92    HZ   PHE  92           HZ       PHE  92  12.221  28.089  16.513
   93    H    ASP  93           HN       ASP  93  10.166  23.425  22.384
   94    HA   ASP  93           HA       ASP  93   8.721  20.875  22.404
   95   1HB   ASP  93          HB1       ASP  93  10.286  21.827  24.800
   96   2HB   ASP  93          HB2       ASP  93  11.174  21.561  23.304
   97    H    LYS  94           HN       LYS  94   6.643  22.004  22.406
   98    HA   LYS  94           HA       LYS  94   5.611  23.650  24.430
   99   1HB   LYS  94          HB1       LYS  94   3.442  23.009  23.674
  100   2HB   LYS  94          HB2       LYS  94   4.032  21.455  23.086
  101   1HG   LYS  94          HG1       LYS  94   3.658  23.151  21.267
  102   2HG   LYS  94          HG2       LYS  94   5.310  22.538  21.332
  103   1HD   LYS  94          HD1       LYS  94   6.124  24.527  22.335
  104   2HD   LYS  94          HD2       LYS  94   4.506  25.061  22.791
  105   1HE   LYS  94          HE1       LYS  94   3.940  25.578  20.532
  106   2HE   LYS  94          HE2       LYS  94   5.334  24.699  19.904
  107   1HZ   LYS  94          HZ1       LYS  94   5.208  27.379  20.500
  108   2HZ   LYS  94          HZ2       LYS  94   6.605  26.482  20.139
  109   3HZ   LYS  94          HZ3       LYS  94   6.128  26.703  21.754
  110    H    ASP  95           HN       ASP  95   5.808  20.081  24.402
  111    HA   ASP  95           HA       ASP  95   4.509  19.991  27.053
  112   1HB   ASP  95          HB1       ASP  95   3.932  18.265  25.385
  113   2HB   ASP  95          HB2       ASP  95   4.678  17.536  26.807
  114    H    GLY  96           HN       GLY  96   7.589  20.591  26.026
  115   1HA   GLY  96          HA1       GLY  96   8.697  20.283  28.656
  116   2HA   GLY  96          HA2       GLY  96   9.618  20.658  27.202
  117    H    ASN  97           HN       ASN  97   8.432  18.114  25.968
  118    HA   ASN  97           HA       ASN  97   9.498  15.912  27.561
  119   1HB   ASN  97          HB1       ASN  97   7.605  15.712  25.899
  120   2HB   ASN  97          HB2       ASN  97   8.886  14.517  25.702
  121   1HD2  ASN  97          HD21      ASN  97   7.666  14.652  23.406
  122   2HD2  ASN  97          HD22      ASN  97   8.384  15.708  22.287
  123    H    GLY  98           HN       GLY  98  11.068  18.297  25.789
  124   1HA   GLY  98          HA1       GLY  98  13.547  16.777  25.911
  125   2HA   GLY  98          HA2       GLY  98  13.373  18.441  25.365
  126    H    TYR  99           HN       TYR  99  11.111  16.984  23.577
  127    HA   TYR  99           HA       TYR  99  13.002  16.577  21.309
  128   1HB   TYR  99          HB1       TYR  99  11.980  14.500  20.658
  129   2HB   TYR  99          HB2       TYR  99  10.737  14.657  21.904
  130    HD1  TYR  99           HD1      TYR  99  11.146  13.955  24.149
  131    HD2  TYR  99           HD2      TYR  99  14.385  14.183  21.337
  132    HE1  TYR  99           HE1      TYR  99  12.629  12.793  25.762
  133    HE2  TYR  99           HE2      TYR  99  15.867  13.021  22.950
  134    H    ILE 100           HN       ILE 100  12.223  17.442  19.419
  135    HA   ILE 100           HA       ILE 100   9.545  18.731  19.538
  136    HB   ILE 100           HB       ILE 100  11.708  18.941  17.417
  137   1HG1  ILE 100          HG11      ILE 100  12.322  19.755  19.758
  138   2HG1  ILE 100          HG12      ILE 100  11.029  20.942  19.587
  139   1HG2  ILE 100          HG21      ILE 100   9.547  19.559  16.534
  140   2HG2  ILE 100          HG22      ILE 100  10.428  21.050  16.868
  141   3HG2  ILE 100          HG23      ILE 100   9.171  20.501  17.977
  142   1HD1  ILE 100          HD11      ILE 100  12.181  21.581  17.358
  143   2HD1  ILE 100          HD12      ILE 100  13.567  20.681  17.970
  144   3HD1  ILE 100          HD13      ILE 100  12.970  22.087  18.852
  145    H    SER 101           HN       SER 101   7.833  17.841  18.580
  146    HA   SER 101           HA       SER 101   8.207  15.455  16.869
  147   1HB   SER 101          HB1       SER 101   5.602  16.727  17.746
  148   2HB   SER 101          HB2       SER 101   6.488  15.576  18.743
  149    HG   SER 101           HG       SER 101   5.237  14.262  17.618
  150    H    ALA 102           HN       ALA 102   7.072  15.307  14.800
  151    HA   ALA 102           HA       ALA 102   7.602  17.482  13.076
  152   1HB   ALA 102          HB1       ALA 102   5.535  15.294  12.667
  153   2HB   ALA 102          HB2       ALA 102   7.255  15.122  12.323
  154   3HB   ALA 102          HB3       ALA 102   6.281  16.266  11.400
  155    H    ALA 103           HN       ALA 103   4.541  16.532  14.632
  156    HA   ALA 103           HA       ALA 103   2.978  18.624  13.434
  157   1HB   ALA 103          HB1       ALA 103   2.576  17.257  16.116
  158   2HB   ALA 103          HB2       ALA 103   1.984  16.645  14.571
  159   3HB   ALA 103          HB3       ALA 103   1.355  18.160  15.218
  160    H    GLU 104           HN       GLU 104   5.081  18.508  16.279
  161    HA   GLU 104           HA       GLU 104   4.242  21.051  17.354
  162   1HB   GLU 104          HB1       GLU 104   6.595  20.957  18.426
  163   2HB   GLU 104          HB2       GLU 104   6.732  19.368  17.668
  164   1HG   GLU 104          HG1       GLU 104   4.721  18.606  18.835
  165   2HG   GLU 104          HG2       GLU 104   4.488  20.210  19.530
  166    H    LEU 105           HN       LEU 105   6.693  20.004  15.014
  167    HA   LEU 105           HA       LEU 105   7.918  22.562  14.652
  168   1HB   LEU 105          HB1       LEU 105   7.624  20.602  12.379
  169   2HB   LEU 105          HB2       LEU 105   8.631  20.182  13.765
  170    HG   LEU 105           HG       LEU 105   8.999  22.872  12.442
  171   1HD1  LEU 105          HD11      LEU 105  10.225  22.442  14.507
  172   2HD1  LEU 105          HD12      LEU 105  11.360  22.448  13.160
  173   3HD1  LEU 105          HD13      LEU 105  10.840  20.919  13.864
  174   1HD2  LEU 105          HD21      LEU 105  10.835  21.661  11.059
  175   2HD2  LEU 105          HD22      LEU 105   9.168  21.534  10.503
  176   3HD2  LEU 105          HD23      LEU 105   9.909  20.194  11.380
  177    H    ARG 106           HN       ARG 106   5.063  21.013  13.325
  178    HA   ARG 106           HA       ARG 106   4.512  22.933  11.266
  179   1HB   ARG 106          HB1       ARG 106   2.583  21.180  12.814
  180   2HB   ARG 106          HB2       ARG 106   3.459  20.693  11.363
  181   1HG   ARG 106          HG1       ARG 106   2.373  22.572  10.128
  182   2HG   ARG 106          HG2       ARG 106   1.436  22.944  11.576
  183   1HD   ARG 106          HD1       ARG 106   1.391  20.329  10.037
  184   2HD   ARG 106          HD2       ARG 106   0.112  21.543  10.058
  185    HE   ARG 106           HE       ARG 106   0.788  20.603  12.727
  186   1HH1  ARG 106          HH11      ARG 106  -0.783  19.347  13.754
  187   2HH1  ARG 106          HH12      ARG 106  -2.073  18.663  12.822
  188   1HH2  ARG 106          HH21      ARG 106  -0.963  19.998   9.819
  189   2HH2  ARG 106          HH22      ARG 106  -2.175  19.032  10.593
  190    H    HIS 107           HN       HIS 107   3.745  22.739  14.711
  191    HA   HIS 107           HA       HIS 107   1.865  24.939  14.761
  192   1HB   HIS 107          HB1       HIS 107   3.634  23.773  16.933
  193   2HB   HIS 107          HB2       HIS 107   1.962  23.327  16.594
  194    HD1  HIS 107           HD1      HIS 107   0.107  25.019  17.269
  195    HD2  HIS 107           HD2      HIS 107   3.956  26.259  18.283
  196    HE1  HIS 107           HE1      HIS 107  -0.164  26.990  18.837
  197    H    VAL 108           HN       VAL 108   5.342  24.778  15.693
  198    HA   VAL 108           HA       VAL 108   5.548  27.610  16.120
  199    HB   VAL 108           HB       VAL 108   7.882  27.286  16.339
  200   1HG1  VAL 108          HG11      VAL 108   6.464  24.708  17.075
  201   2HG1  VAL 108          HG12      VAL 108   6.641  26.141  18.087
  202   3HG1  VAL 108          HG13      VAL 108   8.053  25.180  17.659
  203   1HG2  VAL 108          HG21      VAL 108   7.469  24.857  14.594
  204   2HG2  VAL 108          HG22      VAL 108   8.944  25.111  15.519
  205   3HG2  VAL 108          HG23      VAL 108   8.479  26.262  14.267
  206    H    MET 109           HN       MET 109   6.390  25.590  13.302
  207    HA   MET 109           HA       MET 109   7.366  27.764  11.715
  208   1HB   MET 109          HB1       MET 109   6.892  26.197   9.779
  209   2HB   MET 109          HB2       MET 109   6.234  25.061  10.953
  210   1HG   MET 109          HG1       MET 109   8.542  24.469  10.595
  211   2HG   MET 109          HG2       MET 109   8.436  25.211  12.189
  212   1HE   MET 109          HE1       MET 109  10.533  26.760  12.805
  213   2HE   MET 109          HE2       MET 109  11.761  26.646  11.547
  214   3HE   MET 109          HE3       MET 109  10.862  25.208  12.023
  215    H    THR 110           HN       THR 110   4.130  26.327  12.032
  216    HA   THR 110           HA       THR 110   2.931  27.814   9.903
  217    HB   THR 110           HB       THR 110   1.708  26.631  12.409
  218    HG1  THR 110           HG1      THR 110   1.714  24.863  11.290
  219   1HG2  THR 110          HG21      THR 110  -0.404  26.732  10.966
  220   2HG2  THR 110          HG22      THR 110   0.474  27.871   9.945
  221   3HG2  THR 110          HG23      THR 110   0.157  28.264  11.635
  222    H    ASN 111           HN       ASN 111   3.123  28.532  13.423
  223    HA   ASN 111           HA       ASN 111   1.696  31.038  13.021
  224   1HB   ASN 111          HB1       ASN 111   2.195  31.473  15.384
  225   2HB   ASN 111          HB2       ASN 111   3.365  30.152  15.400
  226   1HD2  ASN 111          HD21      ASN 111   2.321  28.633  16.755
  227   2HD2  ASN 111          HD22      ASN 111   0.769  28.012  16.462
  228    H    LEU 112           HN       LEU 112   5.050  30.051  12.944
  229    HA   LEU 112           HA       LEU 112   6.198  32.678  13.275
  230   1HB   LEU 112          HB1       LEU 112   8.154  31.542  11.972
  231   2HB   LEU 112          HB2       LEU 112   7.177  30.083  12.098
  232    HG   LEU 112           HG       LEU 112   7.053  30.597  14.631
  233   1HD1  LEU 112          HD11      LEU 112   9.162  29.440  15.037
  234   2HD1  LEU 112          HD12      LEU 112   9.762  29.912  13.448
  235   3HD1  LEU 112          HD13      LEU 112   8.419  28.778  13.582
  236   1HD2  LEU 112          HD21      LEU 112   9.228  32.509  13.739
  237   2HD2  LEU 112          HD22      LEU 112   9.223  31.829  15.363
  238   3HD2  LEU 112          HD23      LEU 112   7.874  32.819  14.823
  239    H    GLY 113           HN       GLY 113   4.189  31.540  10.883
  240   1HA   GLY 113          HA1       GLY 113   5.142  33.655   8.999
  241   2HA   GLY 113          HA2       GLY 113   3.517  32.977   9.040
  242    H    GLU 114           HN       GLU 114   5.710  30.471   9.379
  243    HA   GLU 114           HA       GLU 114   5.957  30.016   6.429
  244   1HB   GLU 114          HB1       GLU 114   7.622  28.336   7.008
  245   2HB   GLU 114          HB2       GLU 114   7.245  28.501   8.723
  246   1HG   GLU 114          HG1       GLU 114   9.257  29.778   8.250
  247   2HG   GLU 114          HG2       GLU 114   7.943  30.910   8.574
  248    H    LYS 115           HN       LYS 115   4.264  28.801   5.616
  249    HA   LYS 115           HA       LYS 115   2.923  26.861   7.452
  250   1HB   LYS 115          HB1       LYS 115   2.054  28.110   4.827
  251   2HB   LYS 115          HB2       LYS 115   1.360  28.393   6.421
  252   1HG   LYS 115          HG1       LYS 115   1.229  25.841   4.788
  253   2HG   LYS 115          HG2       LYS 115  -0.112  26.883   5.256
  254   1HD   LYS 115          HD1       LYS 115   0.606  26.372   7.696
  255   2HD   LYS 115          HD2       LYS 115   1.539  25.047   6.997
  256   1HE   LYS 115          HE1       LYS 115  -0.629  24.342   5.827
  257   2HE   LYS 115          HE2       LYS 115  -1.453  25.472   6.901
  258   1HZ   LYS 115          HZ1       LYS 115   0.239  24.005   8.505
  259   2HZ   LYS 115          HZ2       LYS 115  -0.469  22.871   7.456
  260   3HZ   LYS 115          HZ3       LYS 115  -1.450  23.874   8.415
  261    H    LEU 116           HN       LEU 116   3.987  24.963   7.352
  262    HA   LEU 116           HA       LEU 116   4.916  23.929   4.701
  263   1HB   LEU 116          HB1       LEU 116   6.041  22.188   6.242
  264   2HB   LEU 116          HB2       LEU 116   5.614  23.268   7.568
  265    HG   LEU 116           HG       LEU 116   7.218  24.085   5.124
  266   1HD1  LEU 116          HD11      LEU 116   6.242  26.052   5.954
  267   2HD1  LEU 116          HD12      LEU 116   7.782  26.009   6.806
  268   3HD1  LEU 116          HD13      LEU 116   6.306  25.501   7.626
  269   1HD2  LEU 116          HD21      LEU 116   8.593  22.587   6.371
  270   2HD2  LEU 116          HD22      LEU 116   8.032  23.235   7.912
  271   3HD2  LEU 116          HD23      LEU 116   9.086  24.201   6.881
  272    H    THR 117           HN       THR 117   4.178  21.941   3.944
  273    HA   THR 117           HA       THR 117   1.592  21.053   5.008
  274    HB   THR 117           HB       THR 117   1.531  19.568   3.093
  275    HG1  THR 117           HG1      THR 117   3.415  19.365   1.796
  276   1HG2  THR 117          HG21      THR 117   2.952  22.083   2.191
  277   2HG2  THR 117          HG22      THR 117   1.270  22.061   2.721
  278   3HG2  THR 117          HG23      THR 117   1.757  21.145   1.295
  279    H    ASP 118           HN       ASP 118   1.330  18.620   5.481
  280    HA   ASP 118           HA       ASP 118   3.097  17.834   7.542
  281   1HB   ASP 118          HB1       ASP 118   2.084  15.502   7.152
  282   2HB   ASP 118          HB2       ASP 118   1.155  16.248   5.848
  283    H    GLU 119           HN       GLU 119   3.205  17.135   4.069
  284    HA   GLU 119           HA       GLU 119   5.348  15.201   4.350
  285   1HB   GLU 119          HB1       GLU 119   5.572  15.488   1.869
  286   2HB   GLU 119          HB2       GLU 119   4.373  16.780   1.948
  287   1HG   GLU 119          HG1       GLU 119   3.856  13.981   2.985
  288   2HG   GLU 119          HG2       GLU 119   3.457  14.485   1.342
  289    H    GLU 120           HN       GLU 120   5.158  18.677   3.643
  290    HA   GLU 120           HA       GLU 120   7.954  19.074   3.108
  291   1HB   GLU 120          HB1       GLU 120   7.465  21.451   3.838
  292   2HB   GLU 120          HB2       GLU 120   5.821  20.927   4.212
  293   1HG   GLU 120          HG1       GLU 120   5.785  21.825   1.976
  294   2HG   GLU 120          HG2       GLU 120   5.676  20.071   1.825
  295    H    VAL 121           HN       VAL 121   6.061  19.025   6.120
  296    HA   VAL 121           HA       VAL 121   8.360  19.762   7.737
  297    HB   VAL 121           HB       VAL 121   5.746  18.408   8.514
  298   1HG1  VAL 121          HG11      VAL 121   7.416  17.887  10.176
  299   2HG1  VAL 121          HG12      VAL 121   6.398  19.168  10.831
  300   3HG1  VAL 121          HG13      VAL 121   7.995  19.549  10.190
  301   1HG2  VAL 121          HG21      VAL 121   6.705  21.276   8.502
  302   2HG2  VAL 121          HG22      VAL 121   5.365  20.753   9.522
  303   3HG2  VAL 121          HG23      VAL 121   5.247  20.607   7.769
  304    H    ASP 122           HN       ASP 122   6.895  16.759   6.635
  305    HA   ASP 122           HA       ASP 122   8.493  14.958   8.189
  306   1HB   ASP 122          HB1       ASP 122   8.076  13.349   6.322
  307   2HB   ASP 122          HB2       ASP 122   7.392  14.667   5.370
  308    H    GLU 123           HN       GLU 123   9.042  16.520   5.015
  309    HA   GLU 123           HA       GLU 123  11.567  15.368   4.453
  310   1HB   GLU 123          HB1       GLU 123  10.689  18.210   3.854
  311   2HB   GLU 123          HB2       GLU 123  10.239  16.807   2.885
  312   1HG   GLU 123          HG1       GLU 123  12.603  16.350   2.414
  313   2HG   GLU 123          HG2       GLU 123  13.087  17.701   3.440
  314    H    MET 124           HN       MET 124  10.757  18.342   6.280
  315    HA   MET 124           HA       MET 124  13.476  19.024   6.923
  316   1HB   MET 124          HB1       MET 124  12.360  20.282   8.851
  317   2HB   MET 124          HB2       MET 124  10.824  19.707   8.213
  318   1HG   MET 124          HG1       MET 124  11.280  20.769   6.059
  319   2HG   MET 124          HG2       MET 124  12.880  21.264   6.613
  320   1HE   MET 124          HE1       MET 124  10.995  23.453   5.414
  321   2HE   MET 124          HE2       MET 124  12.632  23.589   6.051
  322   3HE   MET 124          HE3       MET 124  11.388  24.713   6.591
  323    H    ILE 125           HN       ILE 125  11.016  17.096   8.614
  324    HA   ILE 125           HA       ILE 125  12.562  16.629  10.973
  325    HB   ILE 125           HB       ILE 125  10.336  15.049   9.665
  326   1HG1  ILE 125          HG11      ILE 125   8.837  16.238  11.015
  327   2HG1  ILE 125          HG12      ILE 125  10.003  17.478  10.575
  328   1HG2  ILE 125          HG21      ILE 125  11.399  13.473  11.081
  329   2HG2  ILE 125          HG22      ILE 125  10.076  14.112  12.058
  330   3HG2  ILE 125          HG23      ILE 125  11.724  14.682  12.324
  331   1HD1  ILE 125          HD11      ILE 125  11.186  16.642  12.823
  332   2HD1  ILE 125          HD12      ILE 125   9.541  16.160  13.215
  333   3HD1  ILE 125          HD13      ILE 125   9.904  17.846  12.849
  334    H    ARG 126           HN       ARG 126  12.075  14.633   8.050
  335    HA   ARG 126           HA       ARG 126  13.774  12.490   8.856
  336   1HB   ARG 126          HB1       ARG 126  13.839  11.903   6.457
  337   2HB   ARG 126          HB2       ARG 126  13.175  13.485   6.054
  338   1HG   ARG 126          HG1       ARG 126  11.234  12.189   6.070
  339   2HG   ARG 126          HG2       ARG 126  11.248  12.771   7.731
  340   1HD   ARG 126          HD1       ARG 126  12.633  10.587   8.205
  341   2HD   ARG 126          HD2       ARG 126  11.949  10.041   6.676
  342    HE   ARG 126           HE       ARG 126   9.922  11.107   8.463
  343   1HH1  ARG 126          HH11      ARG 126   8.476   9.597   9.323
  344   2HH1  ARG 126          HH12      ARG 126   8.860   7.910   9.247
  345   1HH2  ARG 126          HH21      ARG 126  11.894   8.402   7.642
  346   2HH2  ARG 126          HH22      ARG 126  10.796   7.233   8.295
  347    H    GLU 127           HN       GLU 127  14.495  15.508   7.105
  348    HA   GLU 127           HA       GLU 127  17.230  14.776   6.586
  349   1HB   GLU 127          HB1       GLU 127  17.450  17.398   6.383
  350   2HB   GLU 127          HB2       GLU 127  15.694  17.372   6.547
  351   1HG   GLU 127          HG1       GLU 127  17.360  15.996   4.420
  352   2HG   GLU 127          HG2       GLU 127  16.209  17.312   4.188
  353    H    ALA 128           HN       ALA 128  15.636  16.583   9.208
  354    HA   ALA 128           HA       ALA 128  18.204  17.060  10.557
  355   1HB   ALA 128          HB1       ALA 128  16.226  18.657  10.614
  356   2HB   ALA 128          HB2       ALA 128  16.920  18.265  12.187
  357   3HB   ALA 128          HB3       ALA 128  15.422  17.494  11.667
  358    H    ASP 129           HN       ASP 129  15.703  14.648  10.603
  359    HA   ASP 129           HA       ASP 129  16.424  13.636  13.270
  360   1HB   ASP 129          HB1       ASP 129  14.741  12.347  11.099
  361   2HB   ASP 129          HB2       ASP 129  14.115  13.404  12.367
  362    H    ILE 130           HN       ILE 130  18.490  12.870  13.334
  363    HA   ILE 130           HA       ILE 130  19.601  11.331  11.083
  364    HB   ILE 130           HB       ILE 130  20.753  12.117  13.770
  365   1HG1  ILE 130          HG11      ILE 130  20.251  13.960  12.122
  366   2HG1  ILE 130          HG12      ILE 130  21.338  13.169  10.982
  367   1HG2  ILE 130          HG21      ILE 130  22.943  11.500  12.594
  368   2HG2  ILE 130          HG22      ILE 130  21.952  10.701  11.375
  369   3HG2  ILE 130          HG23      ILE 130  21.912  10.144  13.047
  370   1HD1  ILE 130          HD11      ILE 130  22.550  14.925  12.175
  371   2HD1  ILE 130          HD12      ILE 130  23.171  13.350  12.668
  372   3HD1  ILE 130          HD13      ILE 130  22.073  14.235  13.726
  373    H    ASP 131           HN       ASP 131  18.277  10.653  14.305
  374    HA   ASP 131           HA       ASP 131  19.324   7.898  14.206
  375   1HB   ASP 131          HB1       ASP 131  19.195   9.054  16.379
  376   2HB   ASP 131          HB2       ASP 131  18.159   7.627  16.375
  377    H    GLY 132           HN       GLY 132  16.905   9.423  12.641
  378   1HA   GLY 132          HA1       GLY 132  15.593   7.045  11.803
  379   2HA   GLY 132          HA2       GLY 132  14.978   8.677  11.543
  380    H    ASP 133           HN       ASP 133  15.135   8.947  14.657
  381    HA   ASP 133           HA       ASP 133  13.146   7.074  15.621
  382   1HB   ASP 133          HB1       ASP 133  14.808   8.306  17.088
  383   2HB   ASP 133          HB2       ASP 133  13.140   8.377  17.658
  384    H    GLY 134           HN       GLY 134  12.969   9.805  13.645
  385   1HA   GLY 134          HA1       GLY 134  10.022   9.740  13.763
  386   2HA   GLY 134          HA2       GLY 134  10.999  10.586  12.563
  387    H    GLN 135           HN       GLN 135  12.437  11.476  15.326
  388    HA   GLN 135           HA       GLN 135  10.809  13.967  15.515
  389   1HB   GLN 135          HB1       GLN 135  11.055  13.905  18.008
  390   2HB   GLN 135          HB2       GLN 135  11.710  12.273  17.868
  391   1HG   GLN 135          HG1       GLN 135   9.615  11.531  16.787
  392   2HG   GLN 135          HG2       GLN 135   8.963  13.164  16.932
  393   1HE2  GLN 135          HE21      GLN 135   7.247  11.963  18.289
  394   2HE2  GLN 135          HE22      GLN 135   7.583  11.710  19.933
  395    H    VAL 136           HN       VAL 136  12.082  15.730  16.610
  396    HA   VAL 136           HA       VAL 136  15.020  15.405  16.054
  397    HB   VAL 136           HB       VAL 136  13.342  17.936  16.066
  398   1HG1  VAL 136          HG11      VAL 136  15.705  18.308  16.659
  399   2HG1  VAL 136          HG12      VAL 136  15.357  18.940  15.051
  400   3HG1  VAL 136          HG13      VAL 136  16.207  17.407  15.229
  401   1HG2  VAL 136          HG21      VAL 136  13.342  17.829  13.698
  402   2HG2  VAL 136          HG22      VAL 136  12.975  16.178  14.191
  403   3HG2  VAL 136          HG23      VAL 136  14.603  16.597  13.667
  404    H    ASN 137           HN       ASN 137  16.299  15.440  17.791
  405    HA   ASN 137           HA       ASN 137  15.219  16.436  20.376
  406   1HB   ASN 137          HB1       ASN 137  16.444  14.146  19.977
  407   2HB   ASN 137          HB2       ASN 137  16.789  15.067  21.433
  408   1HD2  ASN 137          HD21      ASN 137  18.956  13.987  21.478
  409   2HD2  ASN 137          HD22      ASN 137  20.190  14.516  20.439
  410    H    TYR 138           HN       TYR 138  17.183  17.495  21.736
  411    HA   TYR 138           HA       TYR 138  17.662  20.035  20.561
  412   1HB   TYR 138          HB1       TYR 138  19.097  18.653  22.847
  413   2HB   TYR 138          HB2       TYR 138  17.706  19.729  22.976
  414    HD1  TYR 138           HD1      TYR 138  21.188  19.601  23.292
  415    HD2  TYR 138           HD2      TYR 138  18.079  22.069  21.644
  416    HE1  TYR 138           HE1      TYR 138  22.707  21.558  23.355
  417    HE2  TYR 138           HE2      TYR 138  19.602  24.024  21.707
  418    H    GLU 139           HN       GLU 139  19.923  17.235  20.858
  419    HA   GLU 139           HA       GLU 139  22.175  18.555  19.741
  420   1HB   GLU 139          HB1       GLU 139  23.087  16.380  19.368
  421   2HB   GLU 139          HB2       GLU 139  21.487  15.642  19.296
  422   1HG   GLU 139          HG1       GLU 139  21.121  16.165  21.665
  423   2HG   GLU 139          HG2       GLU 139  22.678  16.990  21.742
  424    H    GLU 140           HN       GLU 140  19.605  16.676  18.145
  425    HA   GLU 140           HA       GLU 140  20.635  17.005  15.480
  426   1HB   GLU 140          HB1       GLU 140  18.274  16.397  14.819
  427   2HB   GLU 140          HB2       GLU 140  17.865  16.412  16.537
  428   1HG   GLU 140          HG1       GLU 140  19.581  14.700  16.966
  429   2HG   GLU 140          HG2       GLU 140  20.017  14.698  15.256
  430    H    PHE 141           HN       PHE 141  18.418  18.887  17.495
  431    HA   PHE 141           HA       PHE 141  17.531  20.712  15.477
  432   1HB   PHE 141          HB1       PHE 141  17.904  21.198  18.448
  433   2HB   PHE 141          HB2       PHE 141  16.480  20.465  17.708
  434    HD1  PHE 141           HD1      PHE 141  15.531  21.900  15.605
  435    HD2  PHE 141           HD2      PHE 141  17.797  23.485  18.894
  436    HE1  PHE 141           HE1      PHE 141  14.620  24.160  15.149
  437    HE2  PHE 141           HE2      PHE 141  16.882  25.741  18.437
  438    HZ   PHE 141           HZ       PHE 141  15.300  26.081  16.564
  439    H    VAL 142           HN       VAL 142  20.293  20.816  17.737
  440    HA   VAL 142           HA       VAL 142  21.264  23.392  16.950
  441    HB   VAL 142           HB       VAL 142  22.793  20.975  17.972
  442   1HG1  VAL 142          HG11      VAL 142  23.542  23.886  17.632
  443   2HG1  VAL 142          HG12      VAL 142  24.361  22.474  16.964
  444   3HG1  VAL 142          HG13      VAL 142  24.421  22.790  18.699
  445   1HG2  VAL 142          HG21      VAL 142  22.453  21.848  20.147
  446   2HG2  VAL 142          HG22      VAL 142  20.879  22.043  19.377
  447   3HG2  VAL 142          HG23      VAL 142  21.959  23.426  19.535
  448    H    GLN 143           HN       GLN 143  22.235  20.118  15.807
  449    HA   GLN 143           HA       GLN 143  24.093  21.058  13.881
  450   1HB   GLN 143          HB1       GLN 143  22.353  18.583  13.650
  451   2HB   GLN 143          HB2       GLN 143  23.837  18.668  14.598
  452   1HG   GLN 143          HG1       GLN 143  25.111  19.230  12.566
  453   2HG   GLN 143          HG2       GLN 143  23.627  19.180  11.613
  454   1HE2  GLN 143          HE21      GLN 143  25.012  17.402  10.457
  455   2HE2  GLN 143          HE22      GLN 143  24.875  15.822  11.064
  456    H    MET 144           HN       MET 144  20.604  20.435  13.566
  457    HA   MET 144           HA       MET 144  20.452  20.992  10.759
  458   1HB   MET 144          HB1       MET 144  18.383  21.229  12.958
  459   2HB   MET 144          HB2       MET 144  18.631  19.842  11.896
  460   1HG   MET 144          HG1       MET 144  16.844  20.899  10.833
  461   2HG   MET 144          HG2       MET 144  18.203  21.630   9.982
  462   1HE   MET 144          HE1       MET 144  15.560  22.618   9.835
  463   2HE   MET 144          HE2       MET 144  15.196  24.161  10.605
  464   3HE   MET 144          HE3       MET 144  14.843  22.657  11.452
  465    H    MET 145           HN       MET 145  20.258  23.090  13.610
  466    HA   MET 145           HA       MET 145  19.657  25.452  11.920
  467   1HB   MET 145          HB1       MET 145  19.417  26.641  14.016
  468   2HB   MET 145          HB2       MET 145  20.118  25.285  14.908
  469   1HG   MET 145          HG1       MET 145  17.772  25.043  15.191
  470   2HG   MET 145          HG2       MET 145  18.171  23.894  13.921
  471   1HE   MET 145          HE1       MET 145  15.938  27.808  13.793
  472   2HE   MET 145          HE2       MET 145  17.641  28.055  13.422
  473   3HE   MET 145          HE3       MET 145  17.181  27.265  14.926
  474    H    THR 146           HN       THR 146  22.338  23.942  13.553
  475    HA   THR 146           HA       THR 146  24.104  26.283  12.883
  476    HB   THR 146           HB       THR 146  25.560  25.594  14.655
  477    HG1  THR 146           HG1      THR 146  23.989  23.456  15.438
  478   1HG2  THR 146          HG21      THR 146  23.349  26.727  15.255
  479   2HG2  THR 146          HG22      THR 146  24.169  25.878  16.564
  480   3HG2  THR 146          HG23      THR 146  22.788  25.134  15.759
  481    H    ALA 147           HN       ALA 147  23.177  23.947  11.165
  482    HA   ALA 147           HA       ALA 147  25.181  22.010  10.806
  483   1HB   ALA 147          HB1       ALA 147  23.382  23.416   8.823
  484   2HB   ALA 147          HB2       ALA 147  23.209  21.792   9.489
  485   3HB   ALA 147          HB3       ALA 147  24.491  22.137   8.329
  486    H    LYS 148           HN       LYS 148  27.200  22.018   9.811
  487    HA   LYS 148           HA       LYS 148  29.240  22.983   9.146
  488   1HB   LYS 148          HB1       LYS 148  29.030  24.526   7.194
  489   2HB   LYS 148          HB2       LYS 148  27.286  24.571   7.455
  490   1HG   LYS 148          HG1       LYS 148  27.132  22.164   7.078
  491   2HG   LYS 148          HG2       LYS 148  28.886  22.044   6.943
  492   1HD   LYS 148          HD1       LYS 148  28.861  23.446   4.943
  493   2HD   LYS 148          HD2       LYS 148  27.123  23.701   5.111
  494   1HE   LYS 148          HE1       LYS 148  28.535  21.075   4.552
  495   2HE   LYS 148          HE2       LYS 148  27.485  21.966   3.451
  496   1HZ   LYS 148          HZ1       LYS 148  25.720  21.709   5.211
  497   2HZ   LYS 148          HZ2       LYS 148  26.744  20.577   5.957
  498   3HZ   LYS 148          HZ3       LYS 148  26.160  20.293   4.387