*HEADER    SIGNALING PROTEIN                       31-MAY-07   2JQE              
*TITLE     SOUTION STRUCTURE OF AF54 M-DOMAIN                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SIGNAL RECOGNITION 54 KDA PROTEIN;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SRP54 M-DOMAIN, RESIDUES 313-433;                          
*COMPND   5 SYNONYM: SRP54;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS;                         
*SOURCE   3 GENE: SRP54;                                                         
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PLYSS                                      
*KEYWDS    AF54, SRP54, NMR STRUCTURE, SOLUTION, SIGNALING PROTEIN               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    U.ILANGOVAN, A.P.HINCK                                                
*REVDAT   1   10-JUN-08 2JQE    0                                                


assign (resid     4 and name    HN)(resid     3 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid     4 and name    HN)(resid     3 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     4 and name    HN)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     4 and name    HN)(resid     5 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid     4 and name    HN)(resid     7 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     4 and name   HA1)  5.0  3.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     6 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HA)(resid     6 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HB)(resid     6 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HB)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     3 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid     5 and name    HN)(resid     4 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     6 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     5 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid     6 and name    HA)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     7 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     6 and name    HN)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HN)(resid     5 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     6 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HN)(resid     7 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid    66 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid    67 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid    67 and name  HD2#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid     9 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name  HG2#)(resid    67 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name  HG2#)(resid     8 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name  HG2#)(resid     9 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid     7 and name  HG2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name    HN)(resid     6 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     8 and name    HA)(resid    10 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     8 and name    HA)(resid    11 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     8 and name  HD2#)(resid    95 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name  HD2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name    HN)(resid     7 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid     8 and name    HN)(resid     9 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid     9 and name   HB#)(resid    10 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid    66 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid    66 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid     8 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    10 and name    HA)(resid    11 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    11 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    13 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    10 and name    HA)(resid    13 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    14 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid     6 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid    11 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    10 and name    HN)(resid     7 and name    HA)  5.0  3.2  0.3 !k=1  !03/23/07
!assign (resid    10 and name    HN)(resid     7 and name    HB)  5.0  3.2  0.3 !k=1  !03/23/07
assign (resid    10 and name    HN)(resid     8 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid     8 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HN)(resid     9 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    11 and name  HD1#)(resid     8 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid     8 and name  HD2#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid    98 and name   HD#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid    98 and name   HE#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HG2#)(resid    10 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    11 and name  HG2#)(resid     8 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    11 and name    HN)(resid    10 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    11 and name    HN)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    14 and name   HB#)(resid    15 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    14 and name    HN)(resid    10 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    15 and name    HA)(resid    16 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    15 and name    HA)(resid    17 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    15 and name    HA)(resid    51 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    15 and name  HD1#)(resid    51 and name    HA)  3.0  1.2  1.3 !k=1 
assign (resid    15 and name    HN)(resid    14 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name    HA)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name   HG#)(resid    17 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name    HN)(resid    17 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    32 and name    HA)(resid    33 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    32 and name   HB#)(resid    33 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    32 and name   HD#)(resid    35 and name  HD2#)  3.0  1.2  2.3 !k=1 
assign (resid    33 and name    HN)(resid    32 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    32 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    32 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    35 and name  HD2#)(resid    38 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    38 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    39 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    50 and name    HA)(resid    51 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name    HA)(resid    53 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    50 and name    HA)(resid    53 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name    HA)(resid    54 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name   HB#)(resid    51 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    50 and name   HE#)(resid    51 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    15 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    52 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    52 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name   HG#)(resid    15 and name  HG2#)  4.0  2.2  2.3 !k=2 
assign (resid    51 and name   HG#)(resid    52 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    51 and name   HG#)(resid    52 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    51 and name    HN)(resid    15 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    51 and name    HN)(resid    52 and name    HN)  2.5  0.7  0.3 !k=2 
assign (resid    52 and name    HN)(resid    51 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HE#)  4.0  2.2  1.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HG#)  3.0  1.2  1.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    53 and name   HB#)(resid    50 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    53 and name   HB#)(resid    54 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    53 and name    HN)(resid    50 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    53 and name    HN)(resid    52 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    53 and name    HN)(resid    54 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    53 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    54 and name    HA)(resid    94 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    15 and name    HB)  2.5  0.7  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    15 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    54 and name   HB#)(resid    51 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    54 and name   HB#)(resid    94 and name  HD1#)  4.0  2.2  2.3 !k=2 
assign (resid    54 and name    HN)(resid    52 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HN)(resid    53 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HN)(resid    53 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    54 and name    HN)(resid    55 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    54 and name    HN)(resid    57 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    54 and name    HN)(resid    94 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    12 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    15 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    55 and name    HA)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    56 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name    HA)(resid    58 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name   HD#)(resid    15 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    55 and name   HD#)(resid    56 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    55 and name   HG#)(resid    56 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    55 and name   HG#)(resid    56 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HN)(resid    52 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name    HN)(resid    56 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    56 and name    HA)(resid    57 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    59 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HA)(resid    59 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HB)(resid    53 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    56 and name    HB)(resid    55 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HB)(resid    57 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name    HB)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    57 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    57 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    59 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    59 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    84 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    52 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    54 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HD#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    57 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    57 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    84 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    86 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name    HN)(resid    53 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name    HN)(resid    58 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    57 and name    HA)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HA)(resid    60 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HA)(resid    84 and name    HA)  4.0  2.2  0.3 !k=2 
assign (resid    57 and name    HA)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HB)(resid    56 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HB)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HB)(resid    84 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    54 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    56 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    58 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    84 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    57 and name  HD1#)(resid    86 and name    HB)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    90 and name   HG#)  4.0  2.2  2.3 !k=1 
assign (resid    57 and name  HG2#)(resid    54 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HG2#)(resid    58 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    57 and name  HG2#)(resid    84 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HG2#)(resid    94 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    57 and name    HN)(resid    53 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HN)(resid    55 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HN)(resid    59 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HN)(resid    84 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    58 and name   HB#)(resid    66 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid    58 and name    HN)(resid    57 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    58 and name    HN)(resid    57 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    58 and name    HN)(resid    59 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    58 and name    HN)(resid    60 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    59 and name   HB#)(resid    58 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    56 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    59 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    57 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    58 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    60 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    59 and name    HN)(resid    61 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    60 and name    HA)(resid    61 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    60 and name   HB#)(resid    56 and name  HG1#)  4.0  2.2  2.3 !k=1 
assign (resid    60 and name   HB#)(resid    57 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    60 and name   HB#)(resid    61 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    60 and name   HB#)(resid    80 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    60 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    60 and name    HN)(resid    57 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    60 and name    HN)(resid    57 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    60 and name    HN)(resid    61 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    60 and name    HN)(resid    61 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    60 and name    HN)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    61 and name    HA)(resid    62 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HB#)(resid    66 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid    61 and name   HE#)(resid    57 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HE#)(resid    62 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HE#)(resid    66 and name   HB#)  5.0  3.2  2.3 !k=2 
assign (resid    61 and name   HE#)(resid    94 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    61 and name   HE#)(resid    95 and name  HD1#)  5.0  2.2  2.3 !k=1  !!! changed from 77 !!!
assign (resid    61 and name    HN)(resid    57 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HN)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HN)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    61 and name    HN)(resid    62 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    61 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name    HN)(resid    80 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    63 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    62 and name    HA)(resid    66 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    63 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    65 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HN)(resid    61 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    62 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    62 and name    HN)(resid    63 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    62 and name    HN)(resid    64 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    62 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HA)(resid    62 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid    63 and name    HA)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HA)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name   HB#)(resid    64 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    63 and name    HN)(resid    62 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    63 and name    HN)(resid    64 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    63 and name    HN)(resid    65 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    63 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HN)(resid    66 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    64 and name    HN)(resid    62 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    64 and name    HN)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    64 and name    HN)(resid    66 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    65 and name    HA)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    66 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    67 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    68 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    72 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    63 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    64 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    66 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    65 and name    HN)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HA)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HA)(resid    67 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    66 and name   HB#)(resid    67 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name   HB#)(resid     7 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    62 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    62 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid    63 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid    65 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    65 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name  HD2#)(resid    61 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid    66 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HA)(resid    68 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid     7 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid     7 and name    HB)  4.0  2.2  0.3 !k=2 
assign (resid    67 and name    HA)(resid     7 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    67 and name    HA)(resid     9 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name   HB#)(resid    64 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name   HB#)(resid    68 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD1#)(resid     4 and name   HA2)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid    63 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    68 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid     7 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid     7 and name  HG2#)  4.0  2.2  2.3 !k=2 
assign (resid    67 and name  HD2#)(resid     9 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    65 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    68 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    67 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    67 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    67 and name   HB#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name   HB#)(resid    67 and name    HG)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    69 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name   HB#)(resid    69 and name   HD#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name   HB#)(resid    70 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name   HB#)(resid    70 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    71 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name  HD2#)(resid    69 and name   HG#)  4.0  2.2  2.3 !k=2 
assign (resid    68 and name  HD2#)(resid    71 and name  HD1#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name  HD2#)(resid    71 and name  HG2#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name    HN)(resid    64 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HN)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HN)(resid    65 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HN)(resid    71 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    65 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    95 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name   HB#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name   HB#)(resid    72 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    69 and name   HD#)(resid    68 and name    HA)  2.5  0.7  1.3 !k=2 
assign (resid    69 and name   HD#)(resid    68 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    69 and name   HD#)(resid    68 and name  HD2#)  3.0  1.2  2.3 !k=2 
assign (resid    69 and name   HD#)(resid    70 and name    HN)  3.0  1.2  1.3 !k=2 
assign (resid    69 and name   HD#)(resid    71 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    69 and name   HD#)(resid     8 and name  HD1#)  4.0  2.2  2.3 !k=2 
assign (resid    69 and name   HG#)(resid    68 and name    HA)  5.0  3.2  1.3 !k=2 
assign (resid    70 and name    HA)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HA)(resid    71 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    68 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    72 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    71 and name    HA)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HA)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    65 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    71 and name    HB)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name  HD1#)(resid    64 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    71 and name  HD1#)(resid    65 and name    HA)  3.0  1.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    65 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    69 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    72 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    65 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    71 and name  HG2#)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 ! modified from 77 HA
assign (resid    71 and name  HG2#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    72 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    72 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    68 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    69 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    71 and name    HN)(resid    70 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    72 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HA)(resid    73 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    72 and name    HA)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HD1#)(resid    69 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name  HG1#)(resid    69 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    69 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    72 and name  HG2#)(resid    73 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    76 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    77 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    73 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    73 and name    HA)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HA)(resid    74 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name   HB#)(resid    74 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    74 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    73 and name    HN)(resid    76 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    76 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    77 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    77 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    72 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    74 and name    HN)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    74 and name    HN)(resid    73 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    73 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    74 and name    HN)(resid    77 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    77 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    73 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    73 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    76 and name    HN)(resid    74 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    75 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    77 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    78 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    79 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HA)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HB)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    77 and name    HB)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name  HD1#)(resid    73 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    75 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    78 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    78 and name    HA)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name    HA)(resid    81 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name   HB#)(resid    75 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    78 and name   HB#)(resid    77 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    78 and name   HB#)(resid    79 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    78 and name    HN)(resid    75 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    78 and name    HN)(resid    79 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    78 and name    HN)(resid    80 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    80 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    78 and name    HN)(resid    88 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HA)(resid    80 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    79 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    61 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    79 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    84 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HB)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HB)(resid    77 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HB)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HD1#)(resid    61 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    80 and name  HD1#)(resid    76 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HG2#)(resid    60 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    81 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    84 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HG2#)(resid    91 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name    HN)(resid    76 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    77 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    79 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    79 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    80 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HN)(resid    82 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    80 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    83 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    84 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    86 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    87 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid    81 and name    HA)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    80 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    82 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    88 and name   HD#)  4.0  2.2  2.3 !k=1 
assign (resid    81 and name   HB#)(resid    88 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    81 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HN)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    78 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    80 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HN)(resid    83 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    82 and name    HA)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HA)(resid    81 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name    HA)(resid    85 and name   HA#)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name  HG1#)(resid    83 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    82 and name  HG2#)(resid    80 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    80 and name  HG1#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    81 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    83 and name   HA#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    83 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HN)(resid    83 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    82 and name    HN)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    83 and name   HA#)(resid    60 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    80 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    83 and name   HA#)(resid    80 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    82 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    84 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    83 and name    HN)(resid    80 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    82 and name    HB)  3.0  1.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    84 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    85 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    84 and name    HA)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name   HB#)(resid    57 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    84 and name   HB#)(resid    57 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    84 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    60 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    80 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    84 and name    HN)(resid    80 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    81 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    84 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    83 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    85 and name   HA#)  3.0  1.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    85 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    84 and name    HN)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    85 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    85 and name    HN)(resid    84 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    85 and name    HN)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HA)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    84 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    87 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    90 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    90 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    54 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    56 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    56 and name  HG1#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    57 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    84 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    85 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    87 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    90 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HN)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HN)(resid    81 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    87 and name    HA)(resid    82 and name    HA)  5.0  3.2  0.3 !k=1   !! changed from 78 HA)
!assign (resid    87 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HA)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HA)(resid    86 and name    HB)  5.0  3.2  0.3 !k=2 
assign (resid    87 and name    HA)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
!assign (resid    87 and name    HA)(resid    88 and name   HG#)  5.0  3.2  1.3 !k=1  !! changed from 61 !!
assign (resid    87 and name    HA)(resid    90 and name   HB#)  5.0  3.2  1.3 !k=1   !! changed from 89 HG# !!
assign (resid    87 and name    HA)(resid    89 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    87 and name   HB#)(resid    81 and name   HB#)  4.0  2.2  2.3 !k=2 
assign (resid    87 and name   HB#)(resid    88 and name   HD2)  2.5  0.7  1.3 !k=2 
assign (resid    87 and name   HB#)(resid    89 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    89 and name   HG#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    89 and name    HN)  2.5  0.7  1.3 !k=2 
assign (resid    87 and name   HB#)(resid    90 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    90 and name    HN)  3.0  1.2  1.3 !k=2 
assign (resid    87 and name    HN)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name    HB)  3.0  1.2  0.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    88 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    89 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    90 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    77 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    78 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    78 and name   HG#)  3.0  1.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    81 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    89 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    88 and name   HG#)(resid    77 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    78 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    78 and name   HG#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    87 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    88 and name   HG#)(resid    89 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    89 and name   HB#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=2 
assign (resid    89 and name   HB#)(resid    91 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name  HE2#)(resid    88 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    89 and name   HG#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    87 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    89 and name    HN)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    90 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    89 and name    HN)(resid    90 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    89 and name    HN)(resid    91 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    89 and name    HN)(resid    92 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    90 and name    HA)(resid    91 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    90 and name    HA)(resid    93 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HA)(resid    94 and name  HD2#)  5.0  3.2  1.3 !k=1 !! Modified from 35 !!
assign (resid    90 and name   HB#)(resid    86 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name   HB#)(resid    87 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    86 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    87 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    87 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    89 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    91 and name  HG1#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    92 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HA)(resid    93 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name  HD2#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    92 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    93 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    77 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    80 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    81 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    88 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    92 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    86 and name    HB)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    91 and name    HN)(resid    92 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    93 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid    92 and name   HG#)(resid    89 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name    HB)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name  HG1#)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    93 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    93 and name   HG#)(resid    94 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    93 and name   HG#)(resid    96 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid    93 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    93 and name    HN)(resid    91 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    93 and name    HN)(resid    91 and name  HG1#)  5.0  3.2  1.3 !k=1 
!assign (resid    93 and name    HN)(resid    92 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    54 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    95 and name    HG)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    95 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    91 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    91 and name  HG2#)  4.0  2.2  2.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    95 and name    HG)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    95 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name    HN)(resid    93 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    94 and name    HN)(resid    96 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid    95 and name   HB#)(resid    92 and name    HA)  5.0  3.2  1.3 !k=2 
!assign (resid    95 and name   HB#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=2 
!assign (resid    95 and name  HD2#)(resid    72 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    77 and name  HD1#)  4.0  2.2  2.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    92 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name    HG)(resid    92 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HG)(resid    96 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HN)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    95 and name    HN)(resid    94 and name    HG)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HN)(resid    96 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    96 and name   HB#)(resid    97 and name    HN)  3.0  1.2  1.3 !k=1 
!assign (resid    96 and name  HD2#)(resid    92 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    96 and name  HD2#)(resid    97 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    96 and name    HN)(resid    92 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    93 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name    HG)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    97 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    97 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    97 and name    HN)(resid    96 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    97 and name    HN)(resid    96 and name   HB#)  3.0  1.2  1.3 !k=1 
!assign (resid    97 and name    HN)(resid    98 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    98 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    98 and name    HN)(resid    96 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    98 and name    HN)(resid    97 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    98 and name    HN)(resid    99 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    99 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    99 and name    HN)(resid    96 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    99 and name    HN)(resid    98 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    99 and name    HN)(resid    98 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid    99 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   100 and name    HN)(resid   101 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   100 and name    HN)(resid   102 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HD#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name    HB)  4.0  2.2  0.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name  HG2#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   102 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   102 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   101 and name    HN)(resid   103 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   101 and name    HN)(resid    98 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   102 and name   HB#)(resid    99 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   101 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   102 and name    HN)(resid   101 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   103 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   103 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   102 and name    HN)(resid   104 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid    99 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   103 and name   HB#)(resid   100 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   104 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   105 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   106 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   100 and name    HA)  4.0  2.2  1.3 !k=2 
!assign (resid   103 and name  HD2#)(resid   100 and name  HG2#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   102 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   104 and name  HD2#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name    HN)(resid   100 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   101 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   103 and name    HN)(resid   105 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   102 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   103 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   105 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   102 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   104 and name    HN)(resid   103 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   104 and name    HN)(resid   103 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   105 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   104 and name    HN)(resid   106 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   106 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   105 and name    HN)(resid   104 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   105 and name    HN)(resid   106 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   106 and name    HN)(resid   103 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   105 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   105 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   107 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   106 and name    HN)(resid   107 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   106 and name    HN)(resid   108 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   107 and name    HN)(resid   104 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   107 and name    HN)(resid   105 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   107 and name    HN)(resid   106 and name    HA)  3.0  1.2  0.3 !k=1 
!assign (resid   108 and name    HN)(resid   106 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   108 and name    HA)  3.0  1.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   108 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   109 and name    HN)(resid   110 and name    HN)  4.0  2.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   115 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name   HB#)(resid   110 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid   111 and name   HB#)(resid   113 and name  HD1#)  5.0  3.2  2.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   109 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   110 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   112 and name    HN)  5.0  3.2  1.3 !k=2 
!assign (resid   111 and name  HD2#)(resid   113 and name    HG)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   115 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   115 and name  HG1#)  4.0  2.2  2.3 !k=1 
!assign (resid   111 and name    HN)(resid   109 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   111 and name    HN)(resid   113 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   112 and name    HN)(resid   111 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   112 and name    HN)(resid   113 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   111 and name  HD21)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   112 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=2 
!assign (resid   113 and name   HB#)(resid   115 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name  HD2#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid   113 and name  HD2#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid   113 and name    HN)(resid   111 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   115 and name  HG1#)  4.0  2.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   115 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   114 and name   HB#)(resid   113 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   114 and name   HB#)(resid   115 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HD#)  4.0  2.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name    HA)(resid    92 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    90 and name    HA)(resid    93 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    91 and name    HA)(resid    94 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    92 and name    HA)(resid    95 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    93 and name    HA)(resid    96 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    94 and name    HA)(resid    97 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    95 and name    HA)(resid    98 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    96 and name    HA)(resid    99 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    97 and name    HA)(resid   100 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    98 and name    HA)(resid   101 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    99 and name    HA)(resid   102 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   100 and name    HA)(resid   103 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   101 and name    HA)(resid   104 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   102 and name    HA)(resid   105 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   103 and name    HA)(resid   106 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   104 and name    HA)(resid   107 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   105 and name    HA)(resid   108 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    89 and name    HN)(resid    90 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    90 and name    HN)(resid    91 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    91 and name    HN)(resid    92 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    92 and name    HN)(resid    93 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    93 and name    HN)(resid    94 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    94 and name    HN)(resid    95 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    95 and name    HN)(resid    96 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    96 and name    HN)(resid    97 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    97 and name    HN)(resid    98 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    98 and name    HN)(resid    99 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    99 and name    HN)(resid   100 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   100 and name    HN)(resid   101 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   101 and name    HN)(resid   102 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   102 and name    HN)(resid   103 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   103 and name    HN)(resid   104 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   104 and name    HN)(resid   105 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   105 and name    HN)(resid   106 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   106 and name    HN)(resid   107 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    89 and name    HA)(resid    92 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    90 and name    HA)(resid    93 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    91 and name    HA)(resid    94 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    92 and name    HA)(resid    95 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    93 and name    HA)(resid    96 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    94 and name    HA)(resid    97 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    95 and name    HA)(resid    98 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    96 and name    HA)(resid    99 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    97 and name    HA)(resid   100 and name    HB)  3.5  1.7  0.3 !k=1
assign (resid    98 and name    HA)(resid   101 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    99 and name    HA)(resid   102 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   100 and name    HA)(resid   103 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   101 and name    HA)(resid   104 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   102 and name    HA)(resid   105 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   103 and name    HA)(resid   106 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   104 and name    HA)(resid   107 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   105 and name    HA)(resid   108 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    92 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    95 and name  HD2#)(resid    69 and name   HB#)  4.0  2.2  2.3 !k=1  !!! changed from 72 HB !!!
assign (resid    95 and name  HD2#)(resid    77 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    98 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    99 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    77 and name    HB)(resid    91 and name    HB)  5.0  3.2  0.3 !k=1   !!! modified from 88 HG# !!!
!assign (resid    91 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid    91 and name  HG2#)(resid    77 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name  HG2#)(resid    80 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name  HG2#)(resid    81 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    86 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid     4 and name    HN)(resid     3 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid     4 and name    HN)(resid     3 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     4 and name    HN)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     4 and name    HN)(resid     5 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid     4 and name    HN)(resid     7 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     4 and name   HA1)  5.0  3.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     6 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HA)(resid     6 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HA)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HB)(resid     6 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     5 and name    HB)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     3 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid     5 and name    HN)(resid     4 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     6 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid     5 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     5 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid     6 and name    HA)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HA)(resid     7 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     6 and name    HN)(resid     5 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HN)(resid     5 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     6 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid     6 and name    HN)(resid     7 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid    66 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid    67 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid    67 and name  HD2#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     7 and name    HB)(resid     8 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name    HB)(resid     9 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid     7 and name  HG2#)(resid    67 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name  HG2#)(resid     8 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name  HG2#)(resid     9 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid     7 and name  HG2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     7 and name    HN)(resid     6 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     8 and name    HA)(resid    10 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     8 and name    HA)(resid    11 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid     8 and name  HD2#)(resid    95 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid     8 and name  HD2#)(resid    98 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name  HD2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid     8 and name    HN)(resid     7 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid     8 and name    HN)(resid     9 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid     9 and name   HB#)(resid    10 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid    66 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid    66 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid     9 and name    HN)(resid     8 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    10 and name    HA)(resid    11 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    11 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    13 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    10 and name    HA)(resid    13 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid    14 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HA)(resid     6 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid    11 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    10 and name    HN)(resid     7 and name    HA)  5.0  3.2  0.3 !k=1  !03/23/07
!assign (resid    10 and name    HN)(resid     7 and name    HB)  5.0  3.2  0.3 !k=1  !03/23/07
assign (resid    10 and name    HN)(resid     8 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    10 and name    HN)(resid     8 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    10 and name    HN)(resid     9 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    11 and name  HD1#)(resid     8 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid     8 and name  HD2#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid    98 and name   HD#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HD1#)(resid    98 and name   HE#)  3.0  1.2  2.3 !k=1 
assign (resid    11 and name  HG2#)(resid    10 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    11 and name  HG2#)(resid     8 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    11 and name    HN)(resid    10 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    11 and name    HN)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    14 and name   HB#)(resid    15 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    14 and name    HN)(resid    10 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    14 and name    HN)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    15 and name    HA)(resid    16 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    15 and name    HA)(resid    17 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    15 and name    HA)(resid    51 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    15 and name  HD1#)(resid    51 and name    HA)  3.0  1.2  1.3 !k=1 
assign (resid    15 and name    HN)(resid    14 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name    HA)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name   HG#)(resid    17 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    16 and name    HN)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    16 and name    HN)(resid    17 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    32 and name    HA)(resid    33 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    32 and name   HB#)(resid    33 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    32 and name   HD#)(resid    35 and name  HD2#)  3.0  1.2  2.3 !k=1 
assign (resid    33 and name    HN)(resid    32 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    32 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    32 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    35 and name  HD2#)(resid    38 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    38 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    35 and name  HD2#)(resid    39 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    50 and name    HA)(resid    51 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name    HA)(resid    53 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    50 and name    HA)(resid    53 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name    HA)(resid    54 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    50 and name   HB#)(resid    51 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    50 and name   HE#)(resid    51 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    15 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    52 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    52 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    51 and name    HA)(resid    54 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    51 and name   HG#)(resid    15 and name  HG2#)  4.0  2.2  2.3 !k=2 
assign (resid    51 and name   HG#)(resid    52 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    51 and name   HG#)(resid    52 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    51 and name    HN)(resid    15 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    51 and name    HN)(resid    52 and name    HN)  2.5  0.7  0.3 !k=2 
assign (resid    52 and name    HN)(resid    51 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HE#)  4.0  2.2  1.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HG#)  3.0  1.2  1.3 !k=1 
assign (resid    52 and name    HN)(resid    51 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    53 and name   HB#)(resid    50 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    53 and name   HB#)(resid    54 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    53 and name    HN)(resid    50 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    53 and name    HN)(resid    52 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    53 and name    HN)(resid    54 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    53 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    54 and name    HA)(resid    94 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    15 and name    HB)  2.5  0.7  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    15 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    54 and name   HB#)(resid    51 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    54 and name   HB#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    54 and name   HB#)(resid    94 and name  HD1#)  4.0  2.2  2.3 !k=2 
assign (resid    54 and name    HN)(resid    52 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HN)(resid    53 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    54 and name    HN)(resid    53 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    54 and name    HN)(resid    55 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    54 and name    HN)(resid    57 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    54 and name    HN)(resid    94 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    12 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    15 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    55 and name    HA)(resid    15 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    56 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name    HA)(resid    58 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name   HD#)(resid    15 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    55 and name   HD#)(resid    56 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    55 and name   HG#)(resid    56 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    55 and name   HG#)(resid    56 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    55 and name    HN)(resid    52 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    55 and name    HN)(resid    56 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    56 and name    HA)(resid    57 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HA)(resid    59 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HA)(resid    59 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HB)(resid    53 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    56 and name    HB)(resid    55 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HB)(resid    57 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name    HB)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    57 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    57 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    59 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG1#)(resid    59 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG1#)(resid    84 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    52 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    54 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name   HD#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name  HG2#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    57 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    57 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    84 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name  HG2#)(resid    86 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    56 and name    HN)(resid    53 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    56 and name    HN)(resid    55 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    56 and name    HN)(resid    58 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    57 and name    HA)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HA)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HA)(resid    60 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HA)(resid    84 and name    HA)  4.0  2.2  0.3 !k=2 
assign (resid    57 and name    HA)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HB)(resid    56 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HB)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HB)(resid    84 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    54 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    55 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    56 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    58 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    84 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    57 and name  HD1#)(resid    86 and name    HB)  4.0  2.2  1.3 !k=1 
assign (resid    57 and name  HD1#)(resid    90 and name   HG#)  4.0  2.2  2.3 !k=1 
assign (resid    57 and name  HG2#)(resid    54 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HG2#)(resid    58 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    57 and name  HG2#)(resid    84 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name  HG2#)(resid    94 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    57 and name    HN)(resid    53 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HN)(resid    55 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    57 and name    HN)(resid    59 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    57 and name    HN)(resid    84 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    58 and name   HB#)(resid    66 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid    58 and name    HN)(resid    57 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    58 and name    HN)(resid    57 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    58 and name    HN)(resid    59 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    58 and name    HN)(resid    60 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    59 and name   HB#)(resid    58 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    56 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    59 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    57 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    58 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    59 and name    HN)(resid    60 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    59 and name    HN)(resid    61 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    60 and name    HA)(resid    61 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    60 and name   HB#)(resid    56 and name  HG1#)  4.0  2.2  2.3 !k=1 
assign (resid    60 and name   HB#)(resid    57 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    60 and name   HB#)(resid    61 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    60 and name   HB#)(resid    80 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    60 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    60 and name    HN)(resid    57 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    60 and name    HN)(resid    57 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    60 and name    HN)(resid    61 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    60 and name    HN)(resid    61 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    60 and name    HN)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    61 and name    HA)(resid    62 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HB#)(resid    66 and name  HD2#)  4.0  2.2  2.3 !k=1 
assign (resid    61 and name   HE#)(resid    57 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HE#)(resid    62 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name   HE#)(resid    66 and name   HB#)  5.0  3.2  2.3 !k=2 
assign (resid    61 and name   HE#)(resid    94 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    61 and name   HE#)(resid    95 and name  HD1#)  5.0  2.2  2.3 !k=1  !!! changed from 77 !!!
assign (resid    61 and name    HN)(resid    57 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HN)(resid    58 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    61 and name    HN)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    61 and name    HN)(resid    62 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    61 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    61 and name    HN)(resid    80 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    63 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HA)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    62 and name    HA)(resid    66 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    63 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HB)(resid    65 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    62 and name    HN)(resid    61 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    62 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    62 and name    HN)(resid    63 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    62 and name    HN)(resid    64 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    62 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HA)(resid    62 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid    63 and name    HA)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HA)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name   HB#)(resid    64 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    63 and name    HN)(resid    62 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    63 and name    HN)(resid    64 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    63 and name    HN)(resid    65 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    63 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    63 and name    HN)(resid    66 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    64 and name    HN)(resid    62 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    64 and name    HN)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    64 and name    HN)(resid    65 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    64 and name    HN)(resid    66 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    65 and name    HA)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    66 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    67 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    68 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HD1#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    71 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    65 and name    HA)(resid    72 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    62 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    63 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    65 and name    HN)(resid    64 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    65 and name    HN)(resid    66 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    65 and name    HN)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HA)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HA)(resid    67 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    66 and name   HB#)(resid    67 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name   HB#)(resid     7 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    62 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    62 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid    63 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid    65 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid    65 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    66 and name  HD1#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name  HD2#)(resid    61 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    66 and name    HN)(resid    67 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid    66 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HA)(resid    68 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid     7 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HA)(resid     7 and name    HB)  4.0  2.2  0.3 !k=2 
assign (resid    67 and name    HA)(resid     7 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    67 and name    HA)(resid     9 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name   HB#)(resid    64 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name   HB#)(resid    68 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD1#)(resid     4 and name   HA2)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid    63 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name   HB#)  4.0  2.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    66 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid    68 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid     7 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name  HD2#)(resid     7 and name  HG2#)  4.0  2.2  2.3 !k=2 
assign (resid    67 and name  HD2#)(resid     9 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    67 and name  HD2#)(resid     9 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    64 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    65 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    66 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    67 and name    HN)(resid    68 and name    HN)  3.0  1.2  0.3 !k=2 
assign (resid    67 and name    HN)(resid     7 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    67 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid    69 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name    HA)(resid     8 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    67 and name   HB#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name   HB#)(resid    67 and name    HG)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    69 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name   HB#)(resid    69 and name   HD#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name   HB#)(resid    70 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name   HB#)(resid    70 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    68 and name   HB#)(resid    71 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    68 and name  HD2#)(resid    69 and name   HG#)  4.0  2.2  2.3 !k=2 
assign (resid    68 and name  HD2#)(resid    71 and name  HD1#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name  HD2#)(resid    71 and name  HG2#)  5.0  3.2  2.3 !k=2 
assign (resid    68 and name    HN)(resid    64 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HN)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    68 and name    HN)(resid    65 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    68 and name    HN)(resid    71 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    65 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name    HA)(resid    71 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    69 and name    HA)(resid    95 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name   HB#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    69 and name   HB#)(resid    72 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    69 and name   HD#)(resid    68 and name    HA)  2.5  0.7  1.3 !k=2 
assign (resid    69 and name   HD#)(resid    68 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    69 and name   HD#)(resid    68 and name  HD2#)  3.0  1.2  2.3 !k=2 
assign (resid    69 and name   HD#)(resid    70 and name    HN)  3.0  1.2  1.3 !k=2 
assign (resid    69 and name   HD#)(resid    71 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    69 and name   HD#)(resid     8 and name  HD1#)  4.0  2.2  2.3 !k=2 
assign (resid    69 and name   HG#)(resid    68 and name    HA)  5.0  3.2  1.3 !k=2 
assign (resid    70 and name    HA)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HA)(resid    71 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    68 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    69 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    71 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    70 and name    HN)(resid    72 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    71 and name    HA)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HA)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    65 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    65 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    71 and name    HB)(resid    70 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name    HB)(resid    72 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    71 and name  HD1#)(resid    64 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    71 and name  HD1#)(resid    65 and name    HA)  3.0  1.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    65 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    69 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG1#)(resid    72 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    65 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    71 and name  HG2#)(resid    69 and name   HD#)  5.0  3.2  1.3 !k=1 ! modified from 77 HA
assign (resid    71 and name  HG2#)(resid    70 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    72 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name  HG2#)(resid    72 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    68 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    69 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    71 and name    HN)(resid    70 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    71 and name    HN)(resid    72 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HA)(resid    73 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    72 and name    HA)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HD1#)(resid    69 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name  HG1#)(resid    69 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    69 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    72 and name  HG2#)(resid    73 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    76 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name  HG2#)(resid    77 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    71 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    72 and name    HN)(resid    73 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    73 and name    HA)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HA)(resid    74 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name   HB#)(resid    74 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    74 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    73 and name    HN)(resid    76 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    76 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    73 and name    HN)(resid    77 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    73 and name    HN)(resid    77 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    72 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    74 and name    HN)(resid    72 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    74 and name    HN)(resid    73 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    73 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    74 and name    HN)(resid    77 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    74 and name    HN)(resid    77 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    73 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    73 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    76 and name    HN)(resid    74 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    75 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    76 and name    HN)(resid    77 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    78 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    76 and name    HN)(resid    79 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HA)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HA)(resid    80 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HA)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HB)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    77 and name    HB)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name  HD1#)(resid    73 and name    HN)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    75 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    76 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    77 and name    HN)(resid    78 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    78 and name    HA)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name    HA)(resid    81 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name   HB#)(resid    75 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    78 and name   HB#)(resid    77 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    78 and name   HB#)(resid    79 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    78 and name    HN)(resid    75 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    78 and name    HN)(resid    77 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    78 and name    HN)(resid    79 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    78 and name    HN)(resid    80 and name    HB)  5.0  3.2  0.3 !k=1 
assign (resid    78 and name    HN)(resid    80 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    78 and name    HN)(resid    88 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HA)(resid    80 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    78 and name   HG#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    79 and name    HN)(resid    80 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    79 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    61 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    79 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HA)(resid    84 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    80 and name    HB)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HB)(resid    77 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HB)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HD1#)(resid    61 and name    HA)  4.0  2.2  1.3 !k=1 
assign (resid    80 and name  HD1#)(resid    76 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HG2#)(resid    60 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    81 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name  HG2#)(resid    84 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name  HG2#)(resid    91 and name  HG2#)  5.0  3.2  2.3 !k=1 
assign (resid    80 and name    HN)(resid    76 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    77 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    79 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    79 and name   HB#)  3.0  1.2  1.3 !k=1 
assign (resid    80 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    80 and name    HN)(resid    82 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    80 and name    HN)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    80 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    83 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid    81 and name    HA)(resid    84 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    86 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    87 and name    HA)  5.0  3.2  0.3 !k=2 
assign (resid    81 and name    HA)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HA)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    80 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    82 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    81 and name   HB#)(resid    87 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name   HB#)(resid    88 and name   HD#)  4.0  2.2  2.3 !k=1 
assign (resid    81 and name   HB#)(resid    88 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    81 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HN)(resid    77 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    78 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    78 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    79 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    80 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    81 and name    HN)(resid    80 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    81 and name    HN)(resid    83 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    82 and name    HA)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HA)(resid    81 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name    HA)(resid    85 and name   HA#)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    82 and name  HG1#)(resid    83 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    82 and name  HG2#)(resid    80 and name  HD1#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    80 and name  HG1#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    81 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    83 and name   HA#)  5.0  3.2  2.3 !k=1 
assign (resid    82 and name  HG2#)(resid    83 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    82 and name    HN)(resid    83 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    82 and name    HN)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    83 and name   HA#)(resid    60 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    80 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    83 and name   HA#)(resid    80 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    82 and name  HG2#)  3.0  1.2  2.3 !k=1 
assign (resid    83 and name   HA#)(resid    84 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    83 and name    HN)(resid    80 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    82 and name    HB)  3.0  1.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    83 and name    HN)(resid    84 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    83 and name    HN)(resid    85 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    84 and name    HA)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HA)(resid    57 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    60 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HA)(resid    83 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    85 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    84 and name    HA)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name   HB#)(resid    57 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    84 and name   HB#)(resid    57 and name    HN)  2.5  0.7  1.3 !k=1 
assign (resid    84 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    60 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    80 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    84 and name    HN)(resid    80 and name  HG1#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    81 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    84 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    82 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    83 and name   HA#)  4.0  2.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    85 and name   HA#)  3.0  1.2  1.3 !k=1 
assign (resid    84 and name    HN)(resid    85 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    84 and name    HN)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    85 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    85 and name    HN)(resid    84 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    85 and name    HN)(resid    86 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HA)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    84 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    87 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    90 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HB)(resid    90 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    86 and name    HB)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    53 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    54 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    56 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    56 and name  HG1#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    57 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    84 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name  HG2#)(resid    85 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    87 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name  HG2#)(resid    90 and name   HB#)  5.0  3.2  2.3 !k=1 
assign (resid    86 and name    HN)(resid    56 and name  HG1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HN)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    86 and name    HN)(resid    81 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    87 and name    HA)(resid    82 and name    HA)  5.0  3.2  0.3 !k=1   !! changed from 78 HA)
!assign (resid    87 and name    HA)(resid    80 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HA)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HA)(resid    86 and name    HB)  5.0  3.2  0.3 !k=2 
assign (resid    87 and name    HA)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
!assign (resid    87 and name    HA)(resid    88 and name   HG#)  5.0  3.2  1.3 !k=1  !! changed from 61 !!
assign (resid    87 and name    HA)(resid    90 and name   HB#)  5.0  3.2  1.3 !k=1   !! changed from 89 HG# !!
assign (resid    87 and name    HA)(resid    89 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    87 and name   HB#)(resid    81 and name   HB#)  4.0  2.2  2.3 !k=2 
assign (resid    87 and name   HB#)(resid    88 and name   HD2)  2.5  0.7  1.3 !k=2 
assign (resid    87 and name   HB#)(resid    89 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    89 and name   HG#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    89 and name    HN)  2.5  0.7  1.3 !k=2 
assign (resid    87 and name   HB#)(resid    90 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    87 and name   HB#)(resid    90 and name    HN)  3.0  1.2  1.3 !k=2 
assign (resid    87 and name    HN)(resid    57 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name    HA)  3.0  1.2  0.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name    HB)  3.0  1.2  0.3 !k=1 
assign (resid    87 and name    HN)(resid    86 and name  HG2#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    88 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    89 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    90 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    87 and name    HN)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    77 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    78 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    78 and name   HG#)  3.0  1.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    81 and name   HB#)  3.0  1.2  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HD#)(resid    87 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    88 and name   HD#)(resid    89 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    88 and name   HG#)(resid    77 and name  HG2#)  4.0  2.2  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    78 and name   HB#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    78 and name   HG#)  2.5  0.7  2.3 !k=1 
assign (resid    88 and name   HG#)(resid    87 and name    HA)  2.5  0.7  1.3 !k=1 
assign (resid    88 and name   HG#)(resid    89 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    89 and name   HB#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=2 
assign (resid    89 and name   HB#)(resid    91 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name  HE2#)(resid    88 and name   HG#)  5.0  3.2  2.3 !k=1 
assign (resid    89 and name   HG#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    87 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    89 and name    HN)(resid    87 and name    HN)  5.0  3.2  0.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HD#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    88 and name   HG#)  4.0  2.2  1.3 !k=1 
assign (resid    89 and name    HN)(resid    90 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    89 and name    HN)(resid    90 and name    HN)  4.0  2.2  0.3 !k=2 
assign (resid    89 and name    HN)(resid    91 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    89 and name    HN)(resid    92 and name    HN)  5.0  3.2  0.3 !k=2 
assign (resid    90 and name    HA)(resid    91 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    90 and name    HA)(resid    93 and name    HN)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HA)(resid    94 and name  HD2#)  5.0  3.2  1.3 !k=1 !! Modified from 35 !!
assign (resid    90 and name   HB#)(resid    86 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name   HB#)(resid    87 and name    HN)  3.0  1.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    86 and name    HB)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    87 and name    HA)  5.0  3.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    87 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
assign (resid    90 and name    HN)(resid    89 and name   HB#)  4.0  2.2  1.3 !k=1 
assign (resid    90 and name    HN)(resid    91 and name  HG1#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    92 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HA)(resid    93 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name  HD2#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HA)(resid    94 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    92 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    93 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    77 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    80 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    81 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    88 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    90 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG2#)(resid    92 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    86 and name    HB)  5.0  3.2  0.3 !k=1 
!assign (resid    91 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    91 and name    HN)(resid    92 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    91 and name    HN)(resid    93 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid    92 and name   HG#)(resid    89 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name    HB)  4.0  2.2  0.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name  HG1#)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    91 and name  HG2#)  5.0  3.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    93 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    92 and name    HN)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    93 and name   HG#)(resid    94 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    93 and name   HG#)(resid    96 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid    93 and name    HN)(resid    89 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    93 and name    HN)(resid    91 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    93 and name    HN)(resid    91 and name  HG1#)  5.0  3.2  1.3 !k=1 
!assign (resid    93 and name    HN)(resid    92 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    54 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    57 and name  HD1#)  4.0  2.2  2.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    95 and name    HG)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD1#)(resid    95 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    91 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    91 and name  HG2#)  4.0  2.2  2.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    95 and name    HG)  4.0  2.2  1.3 !k=1 
!assign (resid    94 and name  HD2#)(resid    95 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    94 and name    HN)(resid    93 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    94 and name    HN)(resid    96 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid    95 and name   HB#)(resid    92 and name    HA)  5.0  3.2  1.3 !k=2 
!assign (resid    95 and name   HB#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=2 
!assign (resid    95 and name  HD2#)(resid    72 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    77 and name  HD1#)  4.0  2.2  2.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    92 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name  HD2#)(resid    96 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    95 and name    HG)(resid    92 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HG)(resid    96 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HN)(resid    94 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    95 and name    HN)(resid    94 and name    HG)  5.0  3.2  0.3 !k=1 
!assign (resid    95 and name    HN)(resid    96 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    96 and name   HB#)(resid    97 and name    HN)  3.0  1.2  1.3 !k=1 
!assign (resid    96 and name  HD2#)(resid    92 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid    96 and name  HD2#)(resid    97 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid    96 and name    HN)(resid    92 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    93 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid    96 and name    HN)(resid    95 and name    HG)  4.0  2.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    97 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid    96 and name    HN)(resid    97 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    97 and name    HN)(resid    96 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    97 and name    HN)(resid    96 and name   HB#)  3.0  1.2  1.3 !k=1 
!assign (resid    97 and name    HN)(resid    98 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid    98 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    98 and name    HN)(resid    96 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid    98 and name    HN)(resid    97 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    98 and name    HN)(resid    99 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid    99 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    99 and name    HN)(resid    96 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    99 and name    HN)(resid    98 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid    99 and name    HN)(resid    98 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   100 and name  HG2#)(resid   101 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   100 and name  HG2#)(resid    99 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   100 and name    HN)(resid   101 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   100 and name    HN)(resid   102 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HD#)  4.0  2.2  1.3 !k=1 
!assign (resid   100 and name    HN)(resid    99 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name    HB)  4.0  2.2  0.3 !k=1 
!assign (resid   101 and name    HN)(resid   100 and name  HG2#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   102 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   101 and name    HN)(resid   102 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   101 and name    HN)(resid   103 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   101 and name    HN)(resid    98 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   102 and name   HB#)(resid    99 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   101 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   102 and name    HN)(resid   101 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   103 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid   103 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   102 and name    HN)(resid   104 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   102 and name    HN)(resid    99 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   103 and name   HB#)(resid   100 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   104 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   105 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name   HB#)(resid   106 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   100 and name    HA)  4.0  2.2  1.3 !k=2 
!assign (resid   103 and name  HD2#)(resid   100 and name  HG2#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   102 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name  HD2#)(resid   104 and name  HD2#)  5.0  3.2  2.3 !k=1 
!assign (resid   103 and name    HN)(resid   100 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   101 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   102 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   103 and name    HN)(resid   104 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   103 and name    HN)(resid   105 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   102 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   103 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name  HD2#)(resid   105 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   102 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   104 and name    HN)(resid   103 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   104 and name    HN)(resid   103 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   105 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   104 and name    HN)(resid   106 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   104 and name    HN)(resid   106 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   105 and name    HN)(resid   104 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   105 and name    HN)(resid   106 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   106 and name    HN)(resid   103 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   105 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   105 and name   HG#)  5.0  3.2  1.3 !k=1 
!assign (resid   106 and name    HN)(resid   107 and name    HA)  5.0  3.2  0.3 !k=1 
!assign (resid   106 and name    HN)(resid   107 and name    HN)  4.0  2.2  0.3 !k=2 
!assign (resid   106 and name    HN)(resid   108 and name    HN)  5.0  3.2  0.3 !k=2 
!assign (resid   107 and name    HN)(resid   104 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   107 and name    HN)(resid   105 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   107 and name    HN)(resid   106 and name    HA)  3.0  1.2  0.3 !k=1 
!assign (resid   108 and name    HN)(resid   106 and name    HA)  4.0  2.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   108 and name    HA)  3.0  1.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   108 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   109 and name    HN)(resid   110 and name    HN)  4.0  2.2  0.3 !k=1 
!assign (resid   109 and name    HN)(resid   115 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name   HB#)(resid   110 and name    HA)  4.0  2.2  1.3 !k=1 
!assign (resid   111 and name   HB#)(resid   113 and name  HD1#)  5.0  3.2  2.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   109 and name   HB#)  5.0  3.2  2.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   110 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   112 and name    HN)  5.0  3.2  1.3 !k=2 
!assign (resid   111 and name  HD2#)(resid   113 and name    HG)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   115 and name    HB)  5.0  3.2  1.3 !k=1 
!assign (resid   111 and name  HD2#)(resid   115 and name  HG1#)  4.0  2.2  2.3 !k=1 
!assign (resid   111 and name    HN)(resid   109 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   111 and name    HN)(resid   113 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   112 and name    HN)(resid   111 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid   112 and name    HN)(resid   113 and name  HD1#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   111 and name  HD21)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   112 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name   HB#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=2 
!assign (resid   113 and name   HB#)(resid   115 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name  HD2#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid   113 and name  HD2#)(resid   114 and name   HD#)  5.0  3.2  2.3 !k=1 
!assign (resid   113 and name    HN)(resid   111 and name   HB#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   115 and name  HG1#)  4.0  2.2  1.3 !k=1 
!assign (resid   113 and name    HN)(resid   115 and name    HN)  5.0  3.2  0.3 !k=1 
!assign (resid   114 and name   HB#)(resid   113 and name    HA)  5.0  3.2  1.3 !k=1 
!assign (resid   114 and name   HB#)(resid   115 and name    HN)  5.0  3.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HB#)  4.0  2.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HD#)  4.0  2.2  1.3 !k=1 
!assign (resid   115 and name    HN)(resid   114 and name   HD#)  5.0  3.2  1.3 !k=1 
assign (resid    89 and name    HA)(resid    92 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    90 and name    HA)(resid    93 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    91 and name    HA)(resid    94 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    92 and name    HA)(resid    95 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    93 and name    HA)(resid    96 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    94 and name    HA)(resid    97 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    95 and name    HA)(resid    98 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    96 and name    HA)(resid    99 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    97 and name    HA)(resid   100 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    98 and name    HA)(resid   101 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    99 and name    HA)(resid   102 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   100 and name    HA)(resid   103 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   101 and name    HA)(resid   104 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   102 and name    HA)(resid   105 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   103 and name    HA)(resid   106 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   104 and name    HA)(resid   107 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid   105 and name    HA)(resid   108 and name    HN)  3.0  1.2  0.3 !k=1
assign (resid    89 and name    HN)(resid    90 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    90 and name    HN)(resid    91 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    91 and name    HN)(resid    92 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    92 and name    HN)(resid    93 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    93 and name    HN)(resid    94 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    94 and name    HN)(resid    95 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    95 and name    HN)(resid    96 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    96 and name    HN)(resid    97 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    97 and name    HN)(resid    98 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    98 and name    HN)(resid    99 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    99 and name    HN)(resid   100 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   100 and name    HN)(resid   101 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   101 and name    HN)(resid   102 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   102 and name    HN)(resid   103 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   103 and name    HN)(resid   104 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   104 and name    HN)(resid   105 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   105 and name    HN)(resid   106 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid   106 and name    HN)(resid   107 and name    HN)  2.5  0.7  0.3 !k=1
assign (resid    89 and name    HA)(resid    92 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    90 and name    HA)(resid    93 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    91 and name    HA)(resid    94 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    92 and name    HA)(resid    95 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    93 and name    HA)(resid    96 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    94 and name    HA)(resid    97 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    95 and name    HA)(resid    98 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    96 and name    HA)(resid    99 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    97 and name    HA)(resid   100 and name    HB)  3.5  1.7  0.3 !k=1
assign (resid    98 and name    HA)(resid   101 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    99 and name    HA)(resid   102 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   100 and name    HA)(resid   103 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   101 and name    HA)(resid   104 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   102 and name    HA)(resid   105 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   103 and name    HA)(resid   106 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   104 and name    HA)(resid   107 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid   105 and name    HA)(resid   108 and name   HB#)  3.5  1.7  1.3 !k=1
assign (resid    92 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    95 and name  HD2#)(resid    69 and name   HB#)  4.0  2.2  2.3 !k=1  !!! changed from 72 HB !!!
assign (resid    95 and name  HD2#)(resid    77 and name  HD1#)  4.0  2.2  2.3 !k=1 
assign (resid    98 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
assign (resid    99 and name    HN)(resid     8 and name  HD2#)  5.0  3.2  1.3 !k=1 
!assign (resid    77 and name    HB)(resid    91 and name    HB)  5.0  3.2  0.3 !k=1   !!! modified from 88 HG# !!!
!assign (resid    91 and name    HA)(resid    61 and name   HE#)  5.0  3.2  1.3 !k=1 
!assign (resid    91 and name  HG1#)(resid    61 and name   HE#)  5.0  3.2  2.3 !k=1 
assign (resid    91 and name  HG2#)(resid    77 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name  HG2#)(resid    80 and name    HB)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name  HG2#)(resid    81 and name    HA)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    77 and name  HD1#)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    81 and name   HB#)  5.0  3.2  1.3 !k=1 
assign (resid    91 and name    HN)(resid    86 and name    HB)  5.0  3.2  0.3 !k=1 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   HG21  THR 315          3HG2      THR 315 -14.265  -5.211   7.076
    2   HG22  THR 315          1HG2      THR 315 -15.860  -5.844   6.666
    3   HG23  THR 315          2HG2      THR 315 -14.724  -6.837   7.575
    4   HG21  THR 317          3HG2      THR 317 -16.127   1.663   4.854
    5   HG22  THR 317          1HG2      THR 317 -15.665   0.026   5.319
    6   HG23  THR 317          2HG2      THR 317 -15.511   0.544   3.640
    7   HG12  ILE 321          2HG1      ILE 321  -6.729   0.191   7.828
    8   HG13  ILE 321          1HG1      ILE 321  -8.074   0.959   6.984
    9   HG21  ILE 321          3HG2      ILE 321  -4.095   1.743   5.698
   10   HG22  ILE 321          1HG2      ILE 321  -4.718   0.101   5.865
   11   HG23  ILE 321          2HG2      ILE 321  -4.305   1.039   7.302
   12   HG12  ILE 325          2HG1      ILE 325  -1.505   4.989   6.858
   13   HG13  ILE 325          1HG1      ILE 325  -0.426   4.800   5.477
   14   HG21  ILE 325          3HG2      ILE 325   1.274   7.865   5.535
   15   HG22  ILE 325          1HG2      ILE 325   1.402   6.144   5.170
   16   HG23  ILE 325          2HG2      ILE 325   1.975   6.761   6.719
   17   HG11  VAL 334          1HG1      VAL 334   8.049  30.242   8.432
   18   HG12  VAL 334          2HG1      VAL 334   6.815  29.713   9.575
   19   HG13  VAL 334          3HG1      VAL 334   6.348  30.261   7.965
   20   HG21  VAL 334          3HG2      VAL 334   5.440  28.010   9.164
   21   HG22  VAL 334          1HG2      VAL 334   6.218  26.516   8.639
   22   HG23  VAL 334          2HG2      VAL 334   5.313  27.493   7.482
   23   HG12  ILE 337          2HG1      ILE 337  12.489  26.554   3.364
   24   HG13  ILE 337          1HG1      ILE 337  11.985  25.090   2.527
   25   HG21  ILE 337          3HG2      ILE 337  12.255  23.030   4.474
   26   HG22  ILE 337          1HG2      ILE 337  13.993  22.724   4.484
   27   HG23  ILE 337          2HG2      ILE 337  13.145  22.946   2.954
   28   HG11  VAL 349          1HG1      VAL 349  18.799  12.150  -2.377
   29   HG12  VAL 349          2HG1      VAL 349  17.948  12.952  -1.059
   30   HG13  VAL 349          3HG1      VAL 349  17.987  11.192  -1.139
   31   HG21  VAL 349          3HG2      VAL 349  18.560  12.266   1.232
   32   HG22  VAL 349          1HG2      VAL 349  20.264  12.024   1.611
   33   HG23  VAL 349          2HG2      VAL 349  19.291  10.673   1.033
   34   HG11  VAL 353          1HG1      VAL 353  15.726  13.903 -13.949
   35   HG12  VAL 353          2HG1      VAL 353  17.202  14.108 -13.006
   36   HG13  VAL 353          3HG1      VAL 353  16.995  14.985 -14.521
   37   HG21  VAL 353          3HG2      VAL 353  14.114  15.431 -14.116
   38   HG22  VAL 353          1HG2      VAL 353  14.958  16.943 -14.449
   39   HG23  VAL 353          2HG2      VAL 353  13.959  16.792 -13.005
   40   HG21  THR 357          3HG2      THR 357   8.950   4.647  -6.336
   41   HG22  THR 357          1HG2      THR 357  10.341   5.698  -6.612
   42   HG23  THR 357          2HG2      THR 357   8.929   6.311  -5.751
   43   HG11  VAL 366          1HG1      VAL 366  -1.067  11.023  -3.831
   44   HG12  VAL 366          2HG1      VAL 366   0.674  11.161  -4.076
   45   HG13  VAL 366          3HG1      VAL 366  -0.222  12.493  -3.346
   46   HG21  VAL 366          3HG2      VAL 366   1.241  11.338  -0.297
   47   HG22  VAL 366          1HG2      VAL 366   1.057  12.652  -1.458
   48   HG23  VAL 366          2HG2      VAL 366   2.170  11.327  -1.798
   49   HG12  ILE 367          2HG1      ILE 367  -2.041   7.234  -4.865
   50   HG13  ILE 367          1HG1      ILE 367  -1.061   7.498  -3.422
   51   HG21  ILE 367          3HG2      ILE 367  -4.878   5.730  -2.991
   52   HG22  ILE 367          1HG2      ILE 367  -3.772   5.341  -4.308
   53   HG23  ILE 367          2HG2      ILE 367  -4.747   6.809  -4.378
   54   HG21  THR 372          3HG2      THR 372 -15.591   8.349  -3.921
   55   HG22  THR 372          1HG2      THR 372 -16.040   8.316  -5.626
   56   HG23  THR 372          2HG2      THR 372 -15.216   9.725  -4.957
   57   HG12  ILE 381          2HG1      ILE 381 -17.981  -2.253  -7.007
   58   HG13  ILE 381          1HG1      ILE 381 -17.142  -2.335  -5.457
   59   HG21  ILE 381          3HG2      ILE 381 -15.921   0.626  -8.074
   60   HG22  ILE 381          1HG2      ILE 381 -17.539  -0.074  -8.105
   61   HG23  ILE 381          2HG2      ILE 381 -16.246  -0.801  -9.060
   62   HG12  ILE 382          2HG1      ILE 382 -11.377  -4.216  -6.693
   63   HG13  ILE 382          1HG1      ILE 382  -9.685  -4.546  -7.047
   64   HG21  ILE 382          3HG2      ILE 382  -8.536  -3.525  -8.650
   65   HG22  ILE 382          1HG2      ILE 382  -9.159  -1.916  -9.014
   66   HG23  ILE 382          2HG2      ILE 382  -9.324  -3.214 -10.196
   67   HG12  ILE 387          2HG1      ILE 387  -5.656   1.497  -9.279
   68   HG13  ILE 387          1HG1      ILE 387  -5.204   3.102  -9.856
   69   HG21  ILE 387          3HG2      ILE 387  -6.001   1.885 -11.980
   70   HG22  ILE 387          1HG2      ILE 387  -7.737   1.794 -12.279
   71   HG23  ILE 387          2HG2      ILE 387  -6.958   0.600 -11.241
   72   HG12  ILE 390          2HG1      ILE 390  -8.284   8.141  -7.761
   73   HG13  ILE 390          1HG1      ILE 390  -8.312   9.034  -9.281
   74   HG21  ILE 390          3HG2      ILE 390  -5.873   7.691  -7.463
   75   HG22  ILE 390          1HG2      ILE 390  -5.418   6.218  -8.320
   76   HG23  ILE 390          2HG2      ILE 390  -6.924   6.276  -7.403
   77   HG12  ILE 392          2HG1      ILE 392  -2.677   8.210 -14.048
   78   HG13  ILE 392          1HG1      ILE 392  -2.614   9.332 -15.406
   79   HG21  ILE 392          3HG2      ILE 392  -2.438  12.308 -14.087
   80   HG22  ILE 392          1HG2      ILE 392  -1.454  11.303 -15.152
   81   HG23  ILE 392          2HG2      ILE 392  -0.827  11.800 -13.580
   82   HG21  THR 396          3HG2      THR 396   3.766   6.344  -6.231
   83   HG22  THR 396          1HG2      THR 396   2.428   6.050  -5.120
   84   HG23  THR 396          2HG2      THR 396   2.548   7.592  -5.968
   85   HG11  VAL 401          1HG1      VAL 401  -5.041  -0.123  -5.750
   86   HG12  VAL 401          2HG1      VAL 401  -5.579   1.334  -6.586
   87   HG13  VAL 401          3HG1      VAL 401  -4.928   1.446  -4.951
   88   HG21  VAL 401          3HG2      VAL 401  -2.403   2.711  -5.472
   89   HG22  VAL 401          1HG2      VAL 401  -3.924   3.201  -6.221
   90   HG23  VAL 401          2HG2      VAL 401  -2.504   2.899  -7.222
   91   HG21  THR 410          3HG2      THR 410  -0.780 -10.020   6.193
   92   HG22  THR 410          1HG2      THR 410   0.629  -9.677   5.188
   93   HG23  THR 410          2HG2      THR 410  -0.083 -11.290   5.185
   94   HG12  ILE 425          2HG1      ILE 425 -24.599 -27.203  15.331
   95   HG13  ILE 425          1HG1      ILE 425 -23.385 -27.519  16.572
   96   HG21  ILE 425          3HG2      ILE 425 -26.461 -24.965  17.181
   97   HG22  ILE 425          1HG2      ILE 425 -27.066 -26.351  16.275
   98   HG23  ILE 425          2HG2      ILE 425 -25.688 -25.433  15.667
  Start of MODEL    2
    1   HG21  THR 315          3HG2      THR 315 -17.661  -0.919  12.628
    2   HG22  THR 315          1HG2      THR 315 -16.211  -0.252  11.878
    3   HG23  THR 315          2HG2      THR 315 -16.132  -1.793  12.732
    4   HG21  THR 317          3HG2      THR 317 -15.332  -2.142   4.950
    5   HG22  THR 317          1HG2      THR 317 -15.722  -0.949   3.712
    6   HG23  THR 317          2HG2      THR 317 -16.388  -0.783   5.337
    7   HG12  ILE 321          2HG1      ILE 321  -7.507   1.012   6.558
    8   HG13  ILE 321          1HG1      ILE 321  -6.338   0.162   5.548
    9   HG21  ILE 321          3HG2      ILE 321  -4.219   1.330   4.839
   10   HG22  ILE 321          1HG2      ILE 321  -3.827   1.183   6.552
   11   HG23  ILE 321          2HG2      ILE 321  -3.702   2.749   5.750
   12   HG12  ILE 325          2HG1      ILE 325  -1.762   3.897   7.289
   13   HG13  ILE 325          1HG1      ILE 325  -0.896   3.647   5.773
   14   HG21  ILE 325          3HG2      ILE 325   1.452   5.126   6.159
   15   HG22  ILE 325          1HG2      ILE 325   1.034   6.835   6.028
   16   HG23  ILE 325          2HG2      ILE 325   0.481   5.694   4.802
   17   HG11  VAL 334          1HG1      VAL 334   8.755  26.976   9.656
   18   HG12  VAL 334          2HG1      VAL 334   9.418  28.221  10.715
   19   HG13  VAL 334          3HG1      VAL 334   8.011  27.289  11.223
   20   HG21  VAL 334          3HG2      VAL 334   9.966  26.013  13.462
   21   HG22  VAL 334          1HG2      VAL 334   9.099  24.706  12.654
   22   HG23  VAL 334          2HG2      VAL 334   8.340  26.287  12.838
   23   HG12  ILE 337          2HG1      ILE 337  16.319  27.601   0.042
   24   HG13  ILE 337          1HG1      ILE 337  17.345  26.168   0.057
   25   HG21  ILE 337          3HG2      ILE 337  17.388  27.222   3.558
   26   HG22  ILE 337          1HG2      ILE 337  16.840  28.481   2.453
   27   HG23  ILE 337          2HG2      ILE 337  18.186  27.436   2.002
   28   HG11  VAL 349          1HG1      VAL 349  23.156  13.683  11.959
   29   HG12  VAL 349          2HG1      VAL 349  24.138  14.754  10.960
   30   HG13  VAL 349          3HG1      VAL 349  24.894  13.799  12.235
   31   HG21  VAL 349          3HG2      VAL 349  26.301  12.380  11.355
   32   HG22  VAL 349          1HG2      VAL 349  26.315  13.201   9.795
   33   HG23  VAL 349          2HG2      VAL 349  26.021  11.464   9.873
   34   HG11  VAL 353          1HG1      VAL 353  18.976  12.271  -2.492
   35   HG12  VAL 353          2HG1      VAL 353  19.427  13.864  -3.099
   36   HG13  VAL 353          3HG1      VAL 353  18.191  13.714  -1.850
   37   HG21  VAL 353          3HG2      VAL 353  19.558  15.465  -1.170
   38   HG22  VAL 353          1HG2      VAL 353  21.214  15.229  -0.612
   39   HG23  VAL 353          2HG2      VAL 353  19.861  14.820   0.442
   40   HG21  THR 357          3HG2      THR 357  14.846  12.347  -1.407
   41   HG22  THR 357          1HG2      THR 357  13.473  11.704  -0.506
   42   HG23  THR 357          2HG2      THR 357  13.201  12.713  -1.927
   43   HG11  VAL 366          1HG1      VAL 366   0.196  13.179  -2.916
   44   HG12  VAL 366          2HG1      VAL 366  -1.446  12.535  -2.907
   45   HG13  VAL 366          3HG1      VAL 366  -0.145  11.626  -3.677
   46   HG21  VAL 366          3HG2      VAL 366   0.474  13.328  -0.452
   47   HG22  VAL 366          1HG2      VAL 366   1.788  12.548  -1.333
   48   HG23  VAL 366          2HG2      VAL 366   1.181  11.834   0.161
   49   HG12  ILE 367          2HG1      ILE 367  -1.615   7.613  -4.649
   50   HG13  ILE 367          1HG1      ILE 367  -0.775   8.016  -3.153
   51   HG21  ILE 367          3HG2      ILE 367  -3.370   5.586  -3.941
   52   HG22  ILE 367          1HG2      ILE 367  -4.147   7.055  -4.529
   53   HG23  ILE 367          2HG2      ILE 367  -4.679   6.322  -3.016
   54   HG21  THR 372          3HG2      THR 372 -14.692   8.281  -4.470
   55   HG22  THR 372          1HG2      THR 372 -14.996   6.724  -3.698
   56   HG23  THR 372          2HG2      THR 372 -15.257   6.915  -5.432
   57   HG12  ILE 381          2HG1      ILE 381  -8.920   0.190  -4.689
   58   HG13  ILE 381          1HG1      ILE 381  -9.545   1.351  -5.858
   59   HG21  ILE 381          3HG2      ILE 381 -10.705  -1.702  -3.847
   60   HG22  ILE 381          1HG2      ILE 381  -9.814  -1.632  -5.368
   61   HG23  ILE 381          2HG2      ILE 381 -11.546  -1.962  -5.376
   62   HG12  ILE 382          2HG1      ILE 382 -10.404  -5.117  -7.935
   63   HG13  ILE 382          1HG1      ILE 382 -10.767  -3.724  -6.915
   64   HG21  ILE 382          3HG2      ILE 382 -11.491  -3.810 -11.035
   65   HG22  ILE 382          1HG2      ILE 382 -11.790  -5.323 -10.174
   66   HG23  ILE 382          2HG2      ILE 382 -10.177  -4.610 -10.170
   67   HG12  ILE 387          2HG1      ILE 387  -5.156   1.894 -10.121
   68   HG13  ILE 387          1HG1      ILE 387  -6.082   2.430  -8.719
   69   HG21  ILE 387          3HG2      ILE 387  -7.977   1.259 -12.336
   70   HG22  ILE 387          1HG2      ILE 387  -6.932   0.101 -11.516
   71   HG23  ILE 387          2HG2      ILE 387  -6.241   1.543 -12.261
   72   HG12  ILE 390          2HG1      ILE 390  -7.843   7.124  -7.157
   73   HG13  ILE 390          1HG1      ILE 390  -8.083   8.094  -8.606
   74   HG21  ILE 390          3HG2      ILE 390  -5.491   6.993  -6.953
   75   HG22  ILE 390          1HG2      ILE 390  -4.740   5.770  -7.979
   76   HG23  ILE 390          2HG2      ILE 390  -6.182   5.373  -7.047
   77   HG12  ILE 392          2HG1      ILE 392  -2.901   7.802 -13.967
   78   HG13  ILE 392          1HG1      ILE 392  -3.093   8.884 -15.342
   79   HG21  ILE 392          3HG2      ILE 392  -2.516  11.102 -15.247
   80   HG22  ILE 392          1HG2      ILE 392  -1.155  11.266 -14.137
   81   HG23  ILE 392          2HG2      ILE 392  -2.706  12.009 -13.747
   82   HG21  THR 396          3HG2      THR 396   3.965   6.955  -7.053
   83   HG22  THR 396          1HG2      THR 396   3.190   5.792  -5.977
   84   HG23  THR 396          2HG2      THR 396   2.463   7.378  -6.232
   85   HG11  VAL 401          1HG1      VAL 401  -5.397   1.728  -7.058
   86   HG12  VAL 401          2HG1      VAL 401  -4.560   1.977  -5.527
   87   HG13  VAL 401          3HG1      VAL 401  -4.827   0.340  -6.130
   88   HG21  VAL 401          3HG2      VAL 401  -3.453   3.466  -7.761
   89   HG22  VAL 401          1HG2      VAL 401  -1.791   2.889  -7.635
   90   HG23  VAL 401          2HG2      VAL 401  -2.715   3.243  -6.175
   91   HG21  THR 410          3HG2      THR 410   0.098  -9.554   5.405
   92   HG22  THR 410          1HG2      THR 410  -1.144 -10.779   5.666
   93   HG23  THR 410          2HG2      THR 410  -1.346  -9.160   6.337
   94   HG12  ILE 425          2HG1      ILE 425 -25.804 -30.694  10.078
   95   HG13  ILE 425          1HG1      ILE 425 -24.491 -31.420  11.006
   96   HG21  ILE 425          3HG2      ILE 425 -28.124 -31.764  11.297
   97   HG22  ILE 425          1HG2      ILE 425 -27.955 -30.009  11.310
   98   HG23  ILE 425          2HG2      ILE 425 -28.309 -30.872  12.806
  Start of MODEL    3
    1   HG21  THR 315          3HG2      THR 315 -16.866  -4.568   9.274
    2   HG22  THR 315          1HG2      THR 315 -17.059  -3.526   7.864
    3   HG23  THR 315          2HG2      THR 315 -18.369  -4.600   8.352
    4   HG21  THR 317          3HG2      THR 317 -16.662   1.899   6.703
    5   HG22  THR 317          1HG2      THR 317 -16.888   1.236   5.085
    6   HG23  THR 317          2HG2      THR 317 -16.677   2.972   5.306
    7   HG12  ILE 321          2HG1      ILE 321  -6.337  -0.238   7.388
    8   HG13  ILE 321          1HG1      ILE 321  -7.870   0.497   6.917
    9   HG21  ILE 321          3HG2      ILE 321  -4.077   1.671   5.551
   10   HG22  ILE 321          1HG2      ILE 321  -4.729   0.372   4.556
   11   HG23  ILE 321          2HG2      ILE 321  -4.412   0.095   6.268
   12   HG12  ILE 325          2HG1      ILE 325   1.625   7.901   6.440
   13   HG13  ILE 325          1HG1      ILE 325   1.850   6.207   6.877
   14   HG21  ILE 325          3HG2      ILE 325  -1.067   7.628   4.759
   15   HG22  ILE 325          1HG2      ILE 325  -0.375   8.801   5.879
   16   HG23  ILE 325          2HG2      ILE 325  -1.910   8.021   6.258
   17   HG11  VAL 334          1HG1      VAL 334  16.961   8.276  20.684
   18   HG12  VAL 334          2HG1      VAL 334  16.298   8.539  22.298
   19   HG13  VAL 334          3HG1      VAL 334  16.962   9.895  21.387
   20   HG21  VAL 334          3HG2      VAL 334  14.217  10.924  21.736
   21   HG22  VAL 334          1HG2      VAL 334  14.413   9.488  22.742
   22   HG23  VAL 334          2HG2      VAL 334  13.101   9.569  21.566
   23   HG12  ILE 337          2HG1      ILE 337  21.467  14.857  15.959
   24   HG13  ILE 337          1HG1      ILE 337  20.242  14.848  17.229
   25   HG21  ILE 337          3HG2      ILE 337  22.055  12.999  14.892
   26   HG22  ILE 337          1HG2      ILE 337  20.645  12.636  13.896
   27   HG23  ILE 337          2HG2      ILE 337  21.216  11.460  15.081
   28   HG11  VAL 349          1HG1      VAL 349  30.888  11.953   5.311
   29   HG12  VAL 349          2HG1      VAL 349  29.916  10.693   4.552
   30   HG13  VAL 349          3HG1      VAL 349  31.195  10.257   5.685
   31   HG21  VAL 349          3HG2      VAL 349  27.980  10.892   5.038
   32   HG22  VAL 349          1HG2      VAL 349  27.764  12.301   6.076
   33   HG23  VAL 349          2HG2      VAL 349  27.316  10.699   6.660
   34   HG11  VAL 353          1HG1      VAL 353  24.401   4.956   6.138
   35   HG12  VAL 353          2HG1      VAL 353  24.171   5.510   7.797
   36   HG13  VAL 353          3HG1      VAL 353  23.575   6.482   6.452
   37   HG21  VAL 353          3HG2      VAL 353  21.490   6.365   5.796
   38   HG22  VAL 353          1HG2      VAL 353  21.144   6.356   7.524
   39   HG23  VAL 353          2HG2      VAL 353  20.339   5.208   6.460
   40   HG21  THR 357          3HG2      THR 357  15.663   9.666  -4.749
   41   HG22  THR 357          1HG2      THR 357  16.580  10.086  -3.302
   42   HG23  THR 357          2HG2      THR 357  14.943   9.445  -3.154
   43   HG11  VAL 366          1HG1      VAL 366   0.264  11.875  -3.756
   44   HG12  VAL 366          2HG1      VAL 366  -1.140  12.572  -2.945
   45   HG13  VAL 366          3HG1      VAL 366  -1.282  11.025  -3.781
   46   HG21  VAL 366          3HG2      VAL 366   0.560  11.998  -0.226
   47   HG22  VAL 366          1HG2      VAL 366   1.153  12.546  -1.794
   48   HG23  VAL 366          2HG2      VAL 366   1.745  11.034  -1.107
   49   HG12  ILE 367          2HG1      ILE 367  -2.198   6.827  -4.665
   50   HG13  ILE 367          1HG1      ILE 367  -1.238   7.237  -3.246
   51   HG21  ILE 367          3HG2      ILE 367  -4.714   6.474  -4.411
   52   HG22  ILE 367          1HG2      ILE 367  -5.284   5.968  -2.820
   53   HG23  ILE 367          2HG2      ILE 367  -4.090   4.996  -3.680
   54   HG21  THR 372          3HG2      THR 372 -15.811   8.246  -5.363
   55   HG22  THR 372          1HG2      THR 372 -15.054   9.810  -5.056
   56   HG23  THR 372          2HG2      THR 372 -15.275   8.663  -3.735
   57   HG12  ILE 381          2HG1      ILE 381 -19.236  -2.034  -6.563
   58   HG13  ILE 381          1HG1      ILE 381 -18.036  -1.972  -5.274
   59   HG21  ILE 381          3HG2      ILE 381 -17.947   1.208  -7.758
   60   HG22  ILE 381          1HG2      ILE 381 -19.358   0.152  -7.728
   61   HG23  ILE 381          2HG2      ILE 381 -18.098  -0.096  -8.936
   62   HG12  ILE 382          2HG1      ILE 382 -14.336   2.133  -7.143
   63   HG13  ILE 382          1HG1      ILE 382 -13.375   0.654  -7.070
   64   HG21  ILE 382          3HG2      ILE 382 -15.331   2.829  -9.329
   65   HG22  ILE 382          1HG2      ILE 382 -15.957   1.337  -8.629
   66   HG23  ILE 382          2HG2      ILE 382 -15.567   1.408 -10.347
   67   HG12  ILE 387          2HG1      ILE 387  -7.214   2.107  -7.445
   68   HG13  ILE 387          1HG1      ILE 387  -8.430   1.707  -8.659
   69   HG21  ILE 387          3HG2      ILE 387  -4.997   2.501  -7.969
   70   HG22  ILE 387          1HG2      ILE 387  -4.441   2.760  -9.623
   71   HG23  ILE 387          2HG2      ILE 387  -4.664   1.119  -9.016
   72   HG12  ILE 390          2HG1      ILE 390  -7.127   7.491  -6.548
   73   HG13  ILE 390          1HG1      ILE 390  -7.549   8.332  -8.037
   74   HG21  ILE 390          3HG2      ILE 390  -4.568   7.374  -6.765
   75   HG22  ILE 390          1HG2      ILE 390  -4.245   5.850  -7.592
   76   HG23  ILE 390          2HG2      ILE 390  -5.523   5.941  -6.381
   77   HG12  ILE 392          2HG1      ILE 392  -3.323   8.284 -13.642
   78   HG13  ILE 392          1HG1      ILE 392  -3.566   9.386 -14.994
   79   HG21  ILE 392          3HG2      ILE 392  -2.722  11.465 -15.024
   80   HG22  ILE 392          1HG2      ILE 392  -1.379  11.729 -13.912
   81   HG23  ILE 392          2HG2      ILE 392  -2.956  12.446 -13.577
   82   HG21  THR 396          3HG2      THR 396   2.680   5.559  -5.782
   83   HG22  THR 396          1HG2      THR 396   2.754   7.180  -6.471
   84   HG23  THR 396          2HG2      THR 396   3.949   5.970  -6.935
   85   HG11  VAL 401          1HG1      VAL 401  -4.646   2.499  -5.716
   86   HG12  VAL 401          2HG1      VAL 401  -4.140   1.018  -4.904
   87   HG13  VAL 401          3HG1      VAL 401  -5.105   0.929  -6.377
   88   HG21  VAL 401          3HG2      VAL 401  -2.007   3.105  -5.802
   89   HG22  VAL 401          1HG2      VAL 401  -3.230   3.577  -6.981
   90   HG23  VAL 401          2HG2      VAL 401  -1.694   2.903  -7.526
   91   HG21  THR 410          3HG2      THR 410   0.716  -9.255   4.801
   92   HG22  THR 410          1HG2      THR 410   0.141 -10.907   4.566
   93   HG23  THR 410          2HG2      THR 410  -0.604  -9.879   5.790
   94   HG12  ILE 425          2HG1      ILE 425 -15.634 -26.877  14.602
   95   HG13  ILE 425          1HG1      ILE 425 -16.433 -27.203  16.139
   96   HG21  ILE 425          3HG2      ILE 425 -15.394 -24.056  17.577
   97   HG22  ILE 425          1HG2      ILE 425 -14.918 -25.554  18.378
   98   HG23  ILE 425          2HG2      ILE 425 -16.521 -25.412  17.656
  Start of MODEL    4
    1   HG21  THR 315          3HG2      THR 315 -16.822  -3.806   7.014
    2   HG22  THR 315          1HG2      THR 315 -18.156  -4.958   7.052
    3   HG23  THR 315          2HG2      THR 315 -16.520  -5.493   7.430
    4   HG21  THR 317          3HG2      THR 317 -16.468  -0.860   4.897
    5   HG22  THR 317          1HG2      THR 317 -15.868  -1.107   3.257
    6   HG23  THR 317          2HG2      THR 317 -16.668   0.406   3.685
    7   HG12  ILE 321          2HG1      ILE 321  -6.309  -0.650   7.108
    8   HG13  ILE 321          1HG1      ILE 321  -7.803   0.167   6.640
    9   HG21  ILE 321          3HG2      ILE 321  -3.960   1.679   5.634
   10   HG22  ILE 321          1HG2      ILE 321  -4.527   0.279   4.724
   11   HG23  ILE 321          2HG2      ILE 321  -4.186   0.130   6.449
   12   HG12  ILE 325          2HG1      ILE 325   0.593   3.948   6.326
   13   HG13  ILE 325          1HG1      ILE 325  -1.139   3.999   6.657
   14   HG21  ILE 325          3HG2      ILE 325   1.155   5.671   4.516
   15   HG22  ILE 325          1HG2      ILE 325   1.758   6.507   5.946
   16   HG23  ILE 325          2HG2      ILE 325   0.673   7.337   4.831
   17   HG11  VAL 334          1HG1      VAL 334  16.186  13.772   9.073
   18   HG12  VAL 334          2HG1      VAL 334  17.392  14.577   8.071
   19   HG13  VAL 334          3HG1      VAL 334  17.798  14.084   9.714
   20   HG21  VAL 334          3HG2      VAL 334  19.710  12.620   7.545
   21   HG22  VAL 334          1HG2      VAL 334  19.483  11.342   8.740
   22   HG23  VAL 334          2HG2      VAL 334  19.549  13.027   9.254
   23   HG12  ILE 337          2HG1      ILE 337  21.023   7.744  16.696
   24   HG13  ILE 337          1HG1      ILE 337  21.383   7.559  14.981
   25   HG21  ILE 337          3HG2      ILE 337  23.742   6.703  17.798
   26   HG22  ILE 337          1HG2      ILE 337  22.758   8.071  18.319
   27   HG23  ILE 337          2HG2      ILE 337  24.439   8.322  17.844
   28   HG11  VAL 349          1HG1      VAL 349  30.764   6.016  -1.537
   29   HG12  VAL 349          2HG1      VAL 349  29.128   6.611  -1.804
   30   HG13  VAL 349          3HG1      VAL 349  29.863   6.745  -0.208
   31   HG21  VAL 349          3HG2      VAL 349  30.954   7.137  -3.505
   32   HG22  VAL 349          1HG2      VAL 349  32.191   8.324  -3.093
   33   HG23  VAL 349          2HG2      VAL 349  30.614   8.860  -3.672
   34   HG11  VAL 353          1HG1      VAL 353  24.997   2.031   1.066
   35   HG12  VAL 353          2HG1      VAL 353  24.081   1.527   2.487
   36   HG13  VAL 353          3HG1      VAL 353  24.132   3.230   2.028
   37   HG21  VAL 353          3HG2      VAL 353  22.274   3.591  -0.553
   38   HG22  VAL 353          1HG2      VAL 353  22.750   4.146   1.051
   39   HG23  VAL 353          2HG2      VAL 353  21.189   3.358   0.818
   40   HG21  THR 357          3HG2      THR 357  15.406   7.405  -1.054
   41   HG22  THR 357          1HG2      THR 357  15.988   5.791  -0.651
   42   HG23  THR 357          2HG2      THR 357  14.366   6.003  -1.307
   43   HG11  VAL 366          1HG1      VAL 366   0.293  13.168  -3.703
   44   HG12  VAL 366          2HG1      VAL 366  -1.338  13.436  -3.087
   45   HG13  VAL 366          3HG1      VAL 366  -0.971  11.977  -4.007
   46   HG21  VAL 366          3HG2      VAL 366   1.668  12.085  -0.974
   47   HG22  VAL 366          1HG2      VAL 366   0.458  13.234  -0.404
   48   HG23  VAL 366          2HG2      VAL 366   1.278  13.509  -1.939
   49   HG12  ILE 367          2HG1      ILE 367  -2.014   7.694  -4.682
   50   HG13  ILE 367          1HG1      ILE 367  -1.101   8.144  -3.243
   51   HG21  ILE 367          3HG2      ILE 367  -4.701   7.439  -4.376
   52   HG22  ILE 367          1HG2      ILE 367  -5.078   6.732  -2.804
   53   HG23  ILE 367          2HG2      ILE 367  -3.885   5.966  -3.854
   54   HG21  THR 372          3HG2      THR 372 -13.555   6.664  -4.516
   55   HG22  THR 372          1HG2      THR 372 -14.017   7.332  -6.081
   56   HG23  THR 372          2HG2      THR 372 -15.182   7.295  -4.760
   57   HG12  ILE 381          2HG1      ILE 381 -19.212  -0.961  -6.477
   58   HG13  ILE 381          1HG1      ILE 381 -18.293  -1.302  -5.009
   59   HG21  ILE 381          3HG2      ILE 381 -17.038   1.964  -7.383
   60   HG22  ILE 381          1HG2      ILE 381 -18.715   1.713  -6.904
   61   HG23  ILE 381          2HG2      ILE 381 -18.034   0.788  -8.242
   62   HG12  ILE 382          2HG1      ILE 382 -10.195  -0.444  -8.650
   63   HG13  ILE 382          1HG1      ILE 382 -10.622   0.987  -7.712
   64   HG21  ILE 382          3HG2      ILE 382 -11.363  -2.678  -6.371
   65   HG22  ILE 382          1HG2      ILE 382 -10.831  -2.504  -8.043
   66   HG23  ILE 382          2HG2      ILE 382 -12.543  -2.712  -7.681
   67   HG12  ILE 387          2HG1      ILE 387  -4.613   1.760  -9.775
   68   HG13  ILE 387          1HG1      ILE 387  -5.551   2.499  -8.476
   69   HG21  ILE 387          3HG2      ILE 387  -7.408   0.756 -11.879
   70   HG22  ILE 387          1HG2      ILE 387  -6.081  -0.066 -11.062
   71   HG23  ILE 387          2HG2      ILE 387  -5.771   1.403 -11.985
   72   HG12  ILE 390          2HG1      ILE 390  -8.035   7.659  -8.103
   73   HG13  ILE 390          1HG1      ILE 390  -8.221   7.185  -9.791
   74   HG21  ILE 390          3HG2      ILE 390  -4.789   6.148  -7.513
   75   HG22  ILE 390          1HG2      ILE 390  -6.378   5.691  -6.900
   76   HG23  ILE 390          2HG2      ILE 390  -5.919   7.393  -6.981
   77   HG12  ILE 392          2HG1      ILE 392  -1.174   8.089 -15.058
   78   HG13  ILE 392          1HG1      ILE 392  -2.296   7.128 -14.097
   79   HG21  ILE 392          3HG2      ILE 392  -1.195  10.872 -14.347
   80   HG22  ILE 392          1HG2      ILE 392  -2.911  11.279 -14.349
   81   HG23  ILE 392          2HG2      ILE 392  -2.232  10.313 -15.659
   82   HG21  THR 396          3HG2      THR 396   2.073   4.782  -5.038
   83   HG22  THR 396          1HG2      THR 396   1.515   6.177  -4.115
   84   HG23  THR 396          2HG2      THR 396   2.977   6.295  -5.093
   85   HG11  VAL 401          1HG1      VAL 401  -5.103   2.115  -4.370
   86   HG12  VAL 401          2HG1      VAL 401  -5.263   0.598  -5.255
   87   HG13  VAL 401          3HG1      VAL 401  -5.749   2.114  -6.011
   88   HG21  VAL 401          3HG2      VAL 401  -2.850   3.685  -6.639
   89   HG22  VAL 401          1HG2      VAL 401  -2.353   3.298  -4.991
   90   HG23  VAL 401          2HG2      VAL 401  -3.995   3.856  -5.309
   91   HG21  THR 410          3HG2      THR 410  -0.857 -10.132   5.631
   92   HG22  THR 410          1HG2      THR 410   0.460  -9.527   4.627
   93   HG23  THR 410          2HG2      THR 410  -0.150 -11.163   4.386
   94   HG12  ILE 425          2HG1      ILE 425  -2.197 -36.789  19.666
   95   HG13  ILE 425          1HG1      ILE 425  -2.722 -35.111  19.537
   96   HG21  ILE 425          3HG2      ILE 425  -2.593 -37.629  22.762
   97   HG22  ILE 425          1HG2      ILE 425  -1.296 -36.482  23.099
   98   HG23  ILE 425          2HG2      ILE 425  -1.238 -37.478  21.644
  Start of MODEL    5
    1   HG21  THR 315          3HG2      THR 315 -17.933  -1.415   7.853
    2   HG22  THR 315          1HG2      THR 315 -19.098  -2.258   8.875
    3   HG23  THR 315          2HG2      THR 315 -17.623  -1.596   9.579
    4   HG21  THR 317          3HG2      THR 317 -16.619  -1.147   2.461
    5   HG22  THR 317          1HG2      THR 317 -16.151  -2.164   3.825
    6   HG23  THR 317          2HG2      THR 317 -15.029  -1.909   2.487
    7   HG12  ILE 321          2HG1      ILE 321  -4.637   0.603   5.667
    8   HG13  ILE 321          1HG1      ILE 321  -5.028   0.062   7.299
    9   HG21  ILE 321          3HG2      ILE 321  -7.245   2.369   4.789
   10   HG22  ILE 321          1HG2      ILE 321  -7.692   0.735   4.305
   11   HG23  ILE 321          2HG2      ILE 321  -6.010   1.254   4.213
   12   HG12  ILE 325          2HG1      ILE 325  -1.566   3.946   6.677
   13   HG13  ILE 325          1HG1      ILE 325  -0.762   4.116   5.117
   14   HG21  ILE 325          3HG2      ILE 325   1.758   5.986   6.644
   15   HG22  ILE 325          1HG2      ILE 325   0.955   7.158   5.600
   16   HG23  ILE 325          2HG2      ILE 325   1.201   5.504   5.040
   17   HG11  VAL 334          1HG1      VAL 334  11.437  17.734  22.472
   18   HG12  VAL 334          2HG1      VAL 334  12.446  17.144  23.792
   19   HG13  VAL 334          3HG1      VAL 334  11.457  16.016  22.866
   20   HG21  VAL 334          3HG2      VAL 334  14.112  14.940  22.657
   21   HG22  VAL 334          1HG2      VAL 334  14.161  15.023  20.897
   22   HG23  VAL 334          2HG2      VAL 334  12.651  14.633  21.719
   23   HG12  ILE 337          2HG1      ILE 337  22.786  16.665  18.257
   24   HG13  ILE 337          1HG1      ILE 337  23.411  17.412  19.728
   25   HG21  ILE 337          3HG2      ILE 337  20.233  16.665  17.879
   26   HG22  ILE 337          1HG2      ILE 337  19.254  16.580  19.344
   27   HG23  ILE 337          2HG2      ILE 337  20.473  15.346  19.026
   28   HG11  VAL 349          1HG1      VAL 349  30.770   5.272   2.742
   29   HG12  VAL 349          2HG1      VAL 349  30.129   4.605   1.240
   30   HG13  VAL 349          3HG1      VAL 349  29.224   4.422   2.744
   31   HG21  VAL 349          3HG2      VAL 349  30.976   7.398   1.405
   32   HG22  VAL 349          1HG2      VAL 349  30.464   7.613   3.078
   33   HG23  VAL 349          2HG2      VAL 349  29.638   8.481   1.785
   34   HG11  VAL 353          1HG1      VAL 353  20.733  11.824  -8.695
   35   HG12  VAL 353          2HG1      VAL 353  20.823  10.856 -10.166
   36   HG13  VAL 353          3HG1      VAL 353  21.940  12.201  -9.925
   37   HG21  VAL 353          3HG2      VAL 353  24.506  10.385  -8.395
   38   HG22  VAL 353          1HG2      VAL 353  23.892  11.994  -8.770
   39   HG23  VAL 353          2HG2      VAL 353  24.065  10.796 -10.052
   40   HG21  THR 357          3HG2      THR 357  16.235   0.479  -2.794
   41   HG22  THR 357          1HG2      THR 357  16.085  -0.060  -1.122
   42   HG23  THR 357          2HG2      THR 357  17.105   1.325  -1.513
   43   HG11  VAL 366          1HG1      VAL 366  -0.305  11.352  -3.921
   44   HG12  VAL 366          2HG1      VAL 366   0.718  12.622  -3.249
   45   HG13  VAL 366          3HG1      VAL 366  -1.020  12.639  -2.950
   46   HG21  VAL 366          3HG2      VAL 366   1.274  12.825  -1.190
   47   HG22  VAL 366          1HG2      VAL 366   2.130  11.284  -1.263
   48   HG23  VAL 366          2HG2      VAL 366   1.010  11.610   0.061
   49   HG12  ILE 367          2HG1      ILE 367  -1.909   7.479  -5.312
   50   HG13  ILE 367          1HG1      ILE 367  -1.106   8.361  -4.011
   51   HG21  ILE 367          3HG2      ILE 367  -4.684   7.469  -4.729
   52   HG22  ILE 367          1HG2      ILE 367  -4.634   6.106  -3.610
   53   HG23  ILE 367          2HG2      ILE 367  -3.582   6.123  -5.025
   54   HG21  THR 372          3HG2      THR 372 -14.293   6.962  -6.468
   55   HG22  THR 372          1HG2      THR 372 -13.769   8.641  -6.344
   56   HG23  THR 372          2HG2      THR 372 -14.360   7.793  -4.914
   57   HG12  ILE 381          2HG1      ILE 381  -9.618   0.089  -5.469
   58   HG13  ILE 381          1HG1      ILE 381 -10.185   1.580  -6.223
   59   HG21  ILE 381          3HG2      ILE 381 -12.610  -1.730  -5.698
   60   HG22  ILE 381          1HG2      ILE 381 -11.157  -1.606  -4.706
   61   HG23  ILE 381          2HG2      ILE 381 -11.027  -1.611  -6.465
   62   HG12  ILE 382          2HG1      ILE 382 -11.813  -4.830  -8.949
   63   HG13  ILE 382          1HG1      ILE 382 -12.125  -3.523  -7.806
   64   HG21  ILE 382          3HG2      ILE 382 -12.541  -3.097 -11.967
   65   HG22  ILE 382          1HG2      ILE 382 -13.135  -4.613 -11.281
   66   HG23  ILE 382          2HG2      ILE 382 -11.427  -4.194 -11.146
   67   HG12  ILE 387          2HG1      ILE 387  -8.319   1.848 -12.434
   68   HG13  ILE 387          1HG1      ILE 387  -6.570   2.063 -12.507
   69   HG21  ILE 387          3HG2      ILE 387  -9.262   1.195 -10.428
   70   HG22  ILE 387          1HG2      ILE 387  -9.115   2.517  -9.270
   71   HG23  ILE 387          2HG2      ILE 387  -8.238   1.010  -9.003
   72   HG12  ILE 390          2HG1      ILE 390  -7.499   7.865  -6.902
   73   HG13  ILE 390          1HG1      ILE 390  -7.736   8.763  -8.401
   74   HG21  ILE 390          3HG2      ILE 390  -5.981   6.375  -6.562
   75   HG22  ILE 390          1HG2      ILE 390  -4.832   7.644  -6.980
   76   HG23  ILE 390          2HG2      ILE 390  -4.665   6.037  -7.687
   77   HG12  ILE 392          2HG1      ILE 392  -2.830   8.107 -14.062
   78   HG13  ILE 392          1HG1      ILE 392  -3.007   9.233 -15.405
   79   HG21  ILE 392          3HG2      ILE 392  -2.796  12.008 -14.560
   80   HG22  ILE 392          1HG2      ILE 392  -1.378  11.143 -15.153
   81   HG23  ILE 392          2HG2      ILE 392  -1.311  11.993 -13.608
   82   HG21  THR 396          3HG2      THR 396   2.414   6.686  -5.900
   83   HG22  THR 396          1HG2      THR 396   3.665   7.099  -7.073
   84   HG23  THR 396          2HG2      THR 396   3.710   5.541  -6.249
   85   HG11  VAL 401          1HG1      VAL 401  -3.560   3.623  -6.726
   86   HG12  VAL 401          2HG1      VAL 401  -1.955   2.924  -6.940
   87   HG13  VAL 401          3HG1      VAL 401  -2.603   3.164  -5.317
   88   HG21  VAL 401          3HG2      VAL 401  -3.949   0.073  -7.894
   89   HG22  VAL 401          1HG2      VAL 401  -2.915   1.392  -8.435
   90   HG23  VAL 401          2HG2      VAL 401  -4.632   1.674  -8.166
   91   HG21  THR 410          3HG2      THR 410  -0.845 -11.018   5.423
   92   HG22  THR 410          1HG2      THR 410   0.504 -10.419   4.457
   93   HG23  THR 410          2HG2      THR 410  -0.396 -11.841   3.930
   94   HG12  ILE 425          2HG1      ILE 425 -11.275 -33.273  21.262
   95   HG13  ILE 425          1HG1      ILE 425 -11.079 -31.525  21.398
   96   HG21  ILE 425          3HG2      ILE 425 -13.589 -33.274  18.547
   97   HG22  ILE 425          1HG2      ILE 425 -12.891 -34.135  19.918
   98   HG23  ILE 425          2HG2      ILE 425 -11.964 -33.949  18.429
  Start of MODEL    6
    1   HG21  THR 315          3HG2      THR 315 -14.024  -6.776   7.662
    2   HG22  THR 315          1HG2      THR 315 -15.249  -5.959   6.691
    3   HG23  THR 315          2HG2      THR 315 -15.461  -7.652   7.135
    4   HG21  THR 317          3HG2      THR 317 -16.750   0.942   5.570
    5   HG22  THR 317          1HG2      THR 317 -16.272  -0.757   5.564
    6   HG23  THR 317          2HG2      THR 317 -16.602   0.075   4.041
    7   HG12  ILE 321          2HG1      ILE 321  -7.192   2.216   5.065
    8   HG13  ILE 321          1HG1      ILE 321  -5.600   2.951   4.905
    9   HG21  ILE 321          3HG2      ILE 321  -7.652   0.525   6.594
   10   HG22  ILE 321          1HG2      ILE 321  -6.608   0.206   7.979
   11   HG23  ILE 321          2HG2      ILE 321  -6.237  -0.509   6.410
   12   HG12  ILE 325          2HG1      ILE 325  -1.471   3.994   7.262
   13   HG13  ILE 325          1HG1      ILE 325  -0.567   3.963   5.748
   14   HG21  ILE 325          3HG2      ILE 325   0.635   7.178   5.539
   15   HG22  ILE 325          1HG2      ILE 325   1.154   5.495   5.432
   16   HG23  ILE 325          2HG2      ILE 325   1.586   6.465   6.841
   17   HG11  VAL 334          1HG1      VAL 334   9.021  23.744  10.161
   18   HG12  VAL 334          2HG1      VAL 334   9.861  23.233  11.625
   19   HG13  VAL 334          3HG1      VAL 334   8.104  23.385  11.623
   20   HG21  VAL 334          3HG2      VAL 334   8.854  20.585   8.734
   21   HG22  VAL 334          1HG2      VAL 334   9.328  22.279   8.604
   22   HG23  VAL 334          2HG2      VAL 334   7.632  21.853   8.834
   23   HG12  ILE 337          2HG1      ILE 337  16.864  22.665   3.489
   24   HG13  ILE 337          1HG1      ILE 337  17.646  24.047   4.256
   25   HG21  ILE 337          3HG2      ILE 337  15.936  25.498   2.773
   26   HG22  ILE 337          1HG2      ILE 337  14.237  25.038   2.881
   27   HG23  ILE 337          2HG2      ILE 337  15.411  23.915   2.199
   28   HG11  VAL 349          1HG1      VAL 349  28.827  12.338   2.230
   29   HG12  VAL 349          2HG1      VAL 349  27.882  10.862   2.050
   30   HG13  VAL 349          3HG1      VAL 349  29.591  10.872   1.615
   31   HG21  VAL 349          3HG2      VAL 349  30.963  11.373   4.866
   32   HG22  VAL 349          1HG2      VAL 349  31.162  11.529   3.122
   33   HG23  VAL 349          2HG2      VAL 349  31.153   9.931   3.869
   34   HG11  VAL 353          1HG1      VAL 353  17.247  15.035   1.947
   35   HG12  VAL 353          2HG1      VAL 353  16.852  13.395   2.458
   36   HG13  VAL 353          3HG1      VAL 353  15.638  14.669   2.570
   37   HG21  VAL 353          3HG2      VAL 353  16.249  16.026   0.026
   38   HG22  VAL 353          1HG2      VAL 353  14.576  15.562   0.340
   39   HG23  VAL 353          2HG2      VAL 353  15.361  15.066  -1.158
   40   HG21  THR 357          3HG2      THR 357  14.432   6.277   3.051
   41   HG22  THR 357          1HG2      THR 357  15.217   7.433   1.976
   42   HG23  THR 357          2HG2      THR 357  15.957   7.025   3.525
   43   HG11  VAL 366          1HG1      VAL 366  -0.099  10.360  -3.732
   44   HG12  VAL 366          2HG1      VAL 366   1.555  10.899  -3.441
   45   HG13  VAL 366          3HG1      VAL 366   0.198  11.869  -2.869
   46   HG21  VAL 366          3HG2      VAL 366   1.545  11.831  -0.890
   47   HG22  VAL 366          1HG2      VAL 366   2.571  10.400  -0.986
   48   HG23  VAL 366          2HG2      VAL 366   1.328  10.511   0.260
   49   HG12  ILE 367          2HG1      ILE 367  -0.886   6.998  -5.414
   50   HG13  ILE 367          1HG1      ILE 367  -0.201   7.194  -3.803
   51   HG21  ILE 367          3HG2      ILE 367  -4.116   6.283  -4.804
   52   HG22  ILE 367          1HG2      ILE 367  -3.255   4.750  -4.667
   53   HG23  ILE 367          2HG2      ILE 367  -2.737   5.950  -5.851
   54   HG21  THR 372          3HG2      THR 372 -15.699   8.503  -5.788
   55   HG22  THR 372          1HG2      THR 372 -14.967   9.702  -4.720
   56   HG23  THR 372          2HG2      THR 372 -15.496   8.151  -4.073
   57   HG12  ILE 381          2HG1      ILE 381 -18.489  -2.137  -6.776
   58   HG13  ILE 381          1HG1      ILE 381 -17.438  -2.273  -5.366
   59   HG21  ILE 381          3HG2      ILE 381 -16.626   0.681  -8.314
   60   HG22  ILE 381          1HG2      ILE 381 -18.069   0.791  -7.307
   61   HG23  ILE 381          2HG2      ILE 381 -17.962  -0.444  -8.561
   62   HG12  ILE 382          2HG1      ILE 382  -9.948   0.608  -9.138
   63   HG13  ILE 382          1HG1      ILE 382 -10.959   1.933  -8.559
   64   HG21  ILE 382          3HG2      ILE 382 -10.260  -1.513  -6.773
   65   HG22  ILE 382          1HG2      ILE 382 -10.107  -1.456  -8.529
   66   HG23  ILE 382          2HG2      ILE 382 -11.563  -2.126  -7.793
   67   HG12  ILE 387          2HG1      ILE 387  -5.486   1.624 -10.197
   68   HG13  ILE 387          1HG1      ILE 387  -6.368   2.452  -8.911
   69   HG21  ILE 387          3HG2      ILE 387  -6.472   1.408 -12.343
   70   HG22  ILE 387          1HG2      ILE 387  -8.207   1.130 -12.493
   71   HG23  ILE 387          2HG2      ILE 387  -7.205  -0.016 -11.604
   72   HG12  ILE 390          2HG1      ILE 390  -8.698   6.512  -7.746
   73   HG13  ILE 390          1HG1      ILE 390  -8.151   8.155  -8.084
   74   HG21  ILE 390          3HG2      ILE 390  -6.747   5.737  -7.111
   75   HG22  ILE 390          1HG2      ILE 390  -5.610   7.041  -7.461
   76   HG23  ILE 390          2HG2      ILE 390  -5.399   5.460  -8.214
   77   HG12  ILE 392          2HG1      ILE 392  -3.165   7.985 -14.085
   78   HG13  ILE 392          1HG1      ILE 392  -3.268   9.095 -15.450
   79   HG21  ILE 392          3HG2      ILE 392  -2.331  12.119 -13.506
   80   HG22  ILE 392          1HG2      ILE 392  -3.236  11.662 -14.950
   81   HG23  ILE 392          2HG2      ILE 392  -1.549  11.175 -14.774
   82   HG21  THR 396          3HG2      THR 396   3.071   6.347  -6.181
   83   HG22  THR 396          1HG2      THR 396   2.255   7.872  -6.528
   84   HG23  THR 396          2HG2      THR 396   3.758   7.468  -7.358
   85   HG11  VAL 401          1HG1      VAL 401  -2.124   3.477  -7.795
   86   HG12  VAL 401          2HG1      VAL 401  -1.992   3.374  -6.040
   87   HG13  VAL 401          3HG1      VAL 401  -3.493   3.929  -6.780
   88   HG21  VAL 401          3HG2      VAL 401  -4.124   1.883  -8.842
   89   HG22  VAL 401          1HG2      VAL 401  -3.439   0.310  -8.437
   90   HG23  VAL 401          2HG2      VAL 401  -2.385   1.640  -8.911
   91   HG21  THR 410          3HG2      THR 410   0.484  -9.364   4.787
   92   HG22  THR 410          1HG2      THR 410  -0.469 -10.847   4.741
   93   HG23  THR 410          2HG2      THR 410  -0.833  -9.602   5.935
   94   HG12  ILE 425          2HG1      ILE 425 -18.109 -23.980   0.732
   95   HG13  ILE 425          1HG1      ILE 425 -17.851 -25.673   0.316
   96   HG21  ILE 425          3HG2      ILE 425 -16.931 -23.765   3.851
   97   HG22  ILE 425          1HG2      ILE 425 -18.591 -24.330   4.035
   98   HG23  ILE 425          2HG2      ILE 425 -18.182 -23.201   2.745
  Start of MODEL    7
    1   HG21  THR 315          3HG2      THR 315 -20.269  -2.707   9.966
    2   HG22  THR 315          1HG2      THR 315 -19.398  -4.009  10.774
    3   HG23  THR 315          2HG2      THR 315 -19.596  -4.035   9.021
    4   HG21  THR 317          3HG2      THR 317 -16.974   1.438   4.611
    5   HG22  THR 317          1HG2      THR 317 -17.002   0.417   6.047
    6   HG23  THR 317          2HG2      THR 317 -16.635  -0.287   4.471
    7   HG12  ILE 321          2HG1      ILE 321  -7.001  -0.251   9.117
    8   HG13  ILE 321          1HG1      ILE 321  -8.433   0.446   8.357
    9   HG21  ILE 321          3HG2      ILE 321  -5.026   0.136   6.484
   10   HG22  ILE 321          1HG2      ILE 321  -4.903  -0.002   8.238
   11   HG23  ILE 321          2HG2      ILE 321  -4.455   1.504   7.438
   12   HG12  ILE 325          2HG1      ILE 325  -1.749   4.651   7.480
   13   HG13  ILE 325          1HG1      ILE 325  -0.796   4.541   6.000
   14   HG21  ILE 325          3HG2      ILE 325   1.148   7.345   6.889
   15   HG22  ILE 325          1HG2      ILE 325   0.207   7.696   5.440
   16   HG23  ILE 325          2HG2      ILE 325   0.901   6.091   5.673
   17   HG11  VAL 334          1HG1      VAL 334  11.367  25.654  12.901
   18   HG12  VAL 334          2HG1      VAL 334  10.364  27.105  12.899
   19   HG13  VAL 334          3HG1      VAL 334  10.058  25.821  11.730
   20   HG21  VAL 334          3HG2      VAL 334   7.664  26.098  14.752
   21   HG22  VAL 334          1HG2      VAL 334   7.404  25.752  13.043
   22   HG23  VAL 334          2HG2      VAL 334   8.292  27.197  13.526
   23   HG12  ILE 337          2HG1      ILE 337  18.933  21.421  11.942
   24   HG13  ILE 337          1HG1      ILE 337  17.216  21.013  11.948
   25   HG21  ILE 337          3HG2      ILE 337  19.322  24.178  10.638
   26   HG22  ILE 337          1HG2      ILE 337  18.587  23.700   9.107
   27   HG23  ILE 337          2HG2      ILE 337  19.649  22.582   9.963
   28   HG11  VAL 349          1HG1      VAL 349  22.949  11.032   1.535
   29   HG12  VAL 349          2HG1      VAL 349  24.235  11.664   0.506
   30   HG13  VAL 349          3HG1      VAL 349  22.548  12.017   0.127
   31   HG21  VAL 349          3HG2      VAL 349  24.119  13.614   3.726
   32   HG22  VAL 349          1HG2      VAL 349  24.477  11.973   3.188
   33   HG23  VAL 349          2HG2      VAL 349  22.854  12.384   3.744
   34   HG11  VAL 353          1HG1      VAL 353  19.974   6.900  -6.011
   35   HG12  VAL 353          2HG1      VAL 353  19.284   6.026  -7.379
   36   HG13  VAL 353          3HG1      VAL 353  19.077   5.407  -5.741
   37   HG21  VAL 353          3HG2      VAL 353  16.254   6.612  -4.848
   38   HG22  VAL 353          1HG2      VAL 353  17.139   5.215  -5.463
   39   HG23  VAL 353          2HG2      VAL 353  15.991   6.060  -6.502
   40   HG21  THR 357          3HG2      THR 357  16.972   9.658   2.231
   41   HG22  THR 357          1HG2      THR 357  16.853   8.140   3.119
   42   HG23  THR 357          2HG2      THR 357  16.096   9.597   3.759
   43   HG11  VAL 366          1HG1      VAL 366   0.924  12.554  -3.385
   44   HG12  VAL 366          2HG1      VAL 366  -0.756  12.021  -3.374
   45   HG13  VAL 366          3HG1      VAL 366   0.507  10.949  -3.984
   46   HG21  VAL 366          3HG2      VAL 366   2.382  12.083  -1.728
   47   HG22  VAL 366          1HG2      VAL 366   1.798  11.442  -0.193
   48   HG23  VAL 366          2HG2      VAL 366   1.103  12.924  -0.852
   49   HG12  ILE 367          2HG1      ILE 367  -0.513   6.981  -2.237
   50   HG13  ILE 367          1HG1      ILE 367  -0.857   5.795  -3.483
   51   HG21  ILE 367          3HG2      ILE 367  -4.249   6.005  -3.745
   52   HG22  ILE 367          1HG2      ILE 367  -2.715   5.506  -4.456
   53   HG23  ILE 367          2HG2      ILE 367  -3.433   7.054  -4.904
   54   HG21  THR 372          3HG2      THR 372 -15.187   8.031  -5.671
   55   HG22  THR 372          1HG2      THR 372 -14.429   9.277  -4.681
   56   HG23  THR 372          2HG2      THR 372 -15.095   7.833  -3.923
   57   HG12  ILE 381          2HG1      ILE 381 -17.022   1.989  -5.395
   58   HG13  ILE 381          1HG1      ILE 381 -15.497   2.871  -5.456
   59   HG21  ILE 381          3HG2      ILE 381 -15.209   2.339  -8.931
   60   HG22  ILE 381          1HG2      ILE 381 -13.894   1.511  -8.098
   61   HG23  ILE 381          2HG2      ILE 381 -14.449   3.084  -7.529
   62   HG12  ILE 382          2HG1      ILE 382 -16.303  -2.835  -8.788
   63   HG13  ILE 382          1HG1      ILE 382 -16.114  -4.152  -9.939
   64   HG21  ILE 382          3HG2      ILE 382 -14.067  -2.357 -12.238
   65   HG22  ILE 382          1HG2      ILE 382 -15.655  -2.953 -12.735
   66   HG23  ILE 382          2HG2      ILE 382 -14.648  -3.923 -11.660
   67   HG12  ILE 387          2HG1      ILE 387  -5.537   1.494  -9.788
   68   HG13  ILE 387          1HG1      ILE 387  -6.398   2.177  -8.409
   69   HG21  ILE 387          3HG2      ILE 387  -6.609   1.246 -11.930
   70   HG22  ILE 387          1HG2      ILE 387  -8.366   1.297 -12.074
   71   HG23  ILE 387          2HG2      ILE 387  -7.592  -0.019 -11.195
   72   HG12  ILE 390          2HG1      ILE 390  -6.593   7.214  -6.658
   73   HG13  ILE 390          1HG1      ILE 390  -7.280   7.910  -8.126
   74   HG21  ILE 390          3HG2      ILE 390  -4.164   6.849  -7.101
   75   HG22  ILE 390          1HG2      ILE 390  -3.940   5.385  -8.058
   76   HG23  ILE 390          2HG2      ILE 390  -5.088   5.396  -6.720
   77   HG12  ILE 392          2HG1      ILE 392  -1.777   8.650 -15.159
   78   HG13  ILE 392          1HG1      ILE 392  -2.773   7.692 -14.062
   79   HG21  ILE 392          3HG2      ILE 392  -2.697  11.942 -13.882
   80   HG22  ILE 392          1HG2      ILE 392  -3.512  11.186 -15.250
   81   HG23  ILE 392          2HG2      ILE 392  -1.763  11.045 -15.078
   82   HG21  THR 396          3HG2      THR 396   1.639   6.245  -5.606
   83   HG22  THR 396          1HG2      THR 396   3.221   6.537  -6.327
   84   HG23  THR 396          2HG2      THR 396   2.873   4.987  -5.560
   85   HG11  VAL 401          1HG1      VAL 401  -5.274   2.673  -6.935
   86   HG12  VAL 401          2HG1      VAL 401  -4.572   1.844  -5.546
   87   HG13  VAL 401          3HG1      VAL 401  -5.455   0.928  -6.764
   88   HG21  VAL 401          3HG2      VAL 401  -3.297   3.656  -6.979
   89   HG22  VAL 401          1HG2      VAL 401  -2.843   3.185  -8.618
   90   HG23  VAL 401          2HG2      VAL 401  -1.768   2.824  -7.265
   91   HG21  THR 410          3HG2      THR 410   0.228 -11.246   2.718
   92   HG22  THR 410          1HG2      THR 410  -1.032 -12.430   3.062
   93   HG23  THR 410          2HG2      THR 410  -0.750 -11.093   4.177
   94   HG12  ILE 425          2HG1      ILE 425  -0.125 -32.035  27.877
   95   HG13  ILE 425          1HG1      ILE 425  -1.379 -30.945  28.469
   96   HG21  ILE 425          3HG2      ILE 425  -0.697 -32.549  25.204
   97   HG22  ILE 425          1HG2      ILE 425   0.799 -31.701  25.598
   98   HG23  ILE 425          2HG2      ILE 425  -0.278 -31.059  24.356
  Start of MODEL    8
    1   HG21  THR 315          3HG2      THR 315 -18.399   0.605   9.948
    2   HG22  THR 315          1HG2      THR 315 -18.520  -0.888  10.880
    3   HG23  THR 315          2HG2      THR 315 -19.951   0.109  10.624
    4   HG21  THR 317          3HG2      THR 317 -16.560  -1.627   3.948
    5   HG22  THR 317          1HG2      THR 317 -15.937  -1.675   2.299
    6   HG23  THR 317          2HG2      THR 317 -16.988  -0.353   2.807
    7   HG12  ILE 321          2HG1      ILE 321  -6.916  -0.905   8.019
    8   HG13  ILE 321          1HG1      ILE 321  -8.364  -0.212   7.289
    9   HG21  ILE 321          3HG2      ILE 321  -5.018  -0.659   5.658
   10   HG22  ILE 321          1HG2      ILE 321  -4.702  -0.208   7.334
   11   HG23  ILE 321          2HG2      ILE 321  -4.468   0.972   6.043
   12   HG12  ILE 325          2HG1      ILE 325  -1.836   3.989   6.984
   13   HG13  ILE 325          1HG1      ILE 325  -1.060   3.999   5.403
   14   HG21  ILE 325          3HG2      ILE 325   0.461   7.071   5.319
   15   HG22  ILE 325          1HG2      ILE 325   0.935   5.373   5.280
   16   HG23  ILE 325          2HG2      ILE 325   1.321   6.364   6.687
   17   HG11  VAL 334          1HG1      VAL 334  16.634  21.361   0.925
   18   HG12  VAL 334          2HG1      VAL 334  15.169  20.392   1.104
   19   HG13  VAL 334          3HG1      VAL 334  16.667  19.634   0.565
   20   HG21  VAL 334          3HG2      VAL 334  18.190  21.523   2.346
   21   HG22  VAL 334          1HG2      VAL 334  18.220  20.750   3.931
   22   HG23  VAL 334          2HG2      VAL 334  17.020  21.995   3.579
   23   HG12  ILE 337          2HG1      ILE 337  21.161  25.487   5.981
   24   HG13  ILE 337          1HG1      ILE 337  19.809  24.460   6.462
   25   HG21  ILE 337          3HG2      ILE 337  22.535  24.051   4.112
   26   HG22  ILE 337          1HG2      ILE 337  21.814  25.495   3.402
   27   HG23  ILE 337          2HG2      ILE 337  21.580  23.925   2.635
   28   HG11  VAL 349          1HG1      VAL 349  27.278  14.591 -13.083
   29   HG12  VAL 349          2HG1      VAL 349  27.003  16.147 -13.864
   30   HG13  VAL 349          3HG1      VAL 349  28.214  15.039 -14.509
   31   HG21  VAL 349          3HG2      VAL 349  27.401  12.734 -14.588
   32   HG22  VAL 349          1HG2      VAL 349  26.800  12.885 -16.239
   33   HG23  VAL 349          2HG2      VAL 349  25.712  12.378 -14.947
   34   HG11  VAL 353          1HG1      VAL 353  18.905   6.665  -7.424
   35   HG12  VAL 353          2HG1      VAL 353  20.493   6.810  -8.179
   36   HG13  VAL 353          3HG1      VAL 353  19.040   7.209  -9.096
   37   HG21  VAL 353          3HG2      VAL 353  21.493   8.795  -8.641
   38   HG22  VAL 353          1HG2      VAL 353  20.954  10.323  -7.944
   39   HG23  VAL 353          2HG2      VAL 353  20.209   9.717  -9.422
   40   HG21  THR 357          3HG2      THR 357   9.719   5.268  -6.066
   41   HG22  THR 357          1HG2      THR 357  11.113   4.582  -6.902
   42   HG23  THR 357          2HG2      THR 357  11.344   5.529  -5.432
   43   HG11  VAL 366          1HG1      VAL 366  -0.078  11.609  -3.476
   44   HG12  VAL 366          2HG1      VAL 366   1.420  12.527  -3.322
   45   HG13  VAL 366          3HG1      VAL 366  -0.085  13.180  -2.675
   46   HG21  VAL 366          3HG2      VAL 366   2.733  12.441  -1.331
   47   HG22  VAL 366          1HG2      VAL 366   2.042  11.898   0.198
   48   HG23  VAL 366          2HG2      VAL 366   1.467  13.389  -0.550
   49   HG12  ILE 367          2HG1      ILE 367  -0.900   7.507  -4.454
   50   HG13  ILE 367          1HG1      ILE 367  -0.014   8.076  -3.040
   51   HG21  ILE 367          3HG2      ILE 367  -3.976   6.541  -2.732
   52   HG22  ILE 367          1HG2      ILE 367  -2.695   5.539  -3.415
   53   HG23  ILE 367          2HG2      ILE 367  -3.279   6.949  -4.300
   54   HG21  THR 372          3HG2      THR 372 -11.410   5.800  -5.882
   55   HG22  THR 372          1HG2      THR 372 -10.915   7.233  -6.784
   56   HG23  THR 372          2HG2      THR 372 -12.435   6.427  -7.171
   57   HG12  ILE 381          2HG1      ILE 381 -12.853   3.287  -7.189
   58   HG13  ILE 381          1HG1      ILE 381 -13.992   3.824  -8.411
   59   HG21  ILE 381          3HG2      ILE 381 -14.383   0.324  -7.446
   60   HG22  ILE 381          1HG2      ILE 381 -13.994   0.825  -5.801
   61   HG23  ILE 381          2HG2      ILE 381 -12.946   1.298  -7.137
   62   HG12  ILE 382          2HG1      ILE 382 -16.416   1.718 -11.380
   63   HG13  ILE 382          1HG1      ILE 382 -16.466   1.268 -13.082
   64   HG21  ILE 382          3HG2      ILE 382 -14.838  -0.866 -13.475
   65   HG22  ILE 382          1HG2      ILE 382 -13.181  -0.299 -13.269
   66   HG23  ILE 382          2HG2      ILE 382 -14.328   0.652 -14.212
   67   HG12  ILE 387          2HG1      ILE 387  -6.142   1.989  -8.178
   68   HG13  ILE 387          1HG1      ILE 387  -7.624   2.680  -7.518
   69   HG21  ILE 387          3HG2      ILE 387  -5.892   1.265 -10.226
   70   HG22  ILE 387          1HG2      ILE 387  -7.123   1.374 -11.482
   71   HG23  ILE 387          2HG2      ILE 387  -7.158   0.042 -10.330
   72   HG12  ILE 390          2HG1      ILE 390  -8.326   7.757  -7.515
   73   HG13  ILE 390          1HG1      ILE 390  -8.713   7.168  -9.127
   74   HG21  ILE 390          3HG2      ILE 390  -6.004   7.428  -6.608
   75   HG22  ILE 390          1HG2      ILE 390  -5.132   5.998  -7.160
   76   HG23  ILE 390          2HG2      ILE 390  -6.693   5.823  -6.360
   77   HG12  ILE 392          2HG1      ILE 392  -1.890   8.326 -14.757
   78   HG13  ILE 392          1HG1      ILE 392  -2.966   7.319 -13.788
   79   HG21  ILE 392          3HG2      ILE 392  -2.749  10.536 -15.185
   80   HG22  ILE 392          1HG2      ILE 392  -2.029  11.224 -13.730
   81   HG23  ILE 392          2HG2      ILE 392  -3.763  11.377 -14.012
   82   HG21  THR 396          3HG2      THR 396   3.877   6.377  -6.868
   83   HG22  THR 396          1HG2      THR 396   2.434   6.348  -5.855
   84   HG23  THR 396          2HG2      THR 396   2.779   7.757  -6.857
   85   HG11  VAL 401          1HG1      VAL 401  -3.725   3.862  -7.009
   86   HG12  VAL 401          2HG1      VAL 401  -2.212   3.369  -7.772
   87   HG13  VAL 401          3HG1      VAL 401  -2.350   3.383  -6.014
   88   HG21  VAL 401          3HG2      VAL 401  -3.582   0.207  -8.441
   89   HG22  VAL 401          1HG2      VAL 401  -2.611   1.583  -8.959
   90   HG23  VAL 401          2HG2      VAL 401  -4.361   1.733  -8.859
   91   HG21  THR 410          3HG2      THR 410   0.037 -10.243   5.079
   92   HG22  THR 410          1HG2      THR 410  -0.839  -9.111   6.109
   93   HG23  THR 410          2HG2      THR 410   0.557  -8.561   5.183
   94   HG12  ILE 425          2HG1      ILE 425   1.461 -26.783  18.723
   95   HG13  ILE 425          1HG1      ILE 425   0.546 -25.525  19.551
   96   HG21  ILE 425          3HG2      ILE 425   2.092 -28.590  20.762
   97   HG22  ILE 425          1HG2      ILE 425   1.098 -29.258  19.469
   98   HG23  ILE 425          2HG2      ILE 425   0.612 -29.466  21.151
  Start of MODEL    9
    1   HG21  THR 315          3HG2      THR 315 -18.194  -1.091  12.376
    2   HG22  THR 315          1HG2      THR 315 -17.126   0.025  11.524
    3   HG23  THR 315          2HG2      THR 315 -16.540  -1.572  11.993
    4   HG21  THR 317          3HG2      THR 317 -16.017   1.593   3.730
    5   HG22  THR 317          1HG2      THR 317 -16.335   0.785   5.265
    6   HG23  THR 317          2HG2      THR 317 -15.346  -0.007   4.039
    7   HG12  ILE 321          2HG1      ILE 321  -6.045   0.990   6.515
    8   HG13  ILE 321          1HG1      ILE 321  -7.579   1.766   6.119
    9   HG21  ILE 321          3HG2      ILE 321  -4.247   2.773   4.197
   10   HG22  ILE 321          1HG2      ILE 321  -4.100   1.683   5.576
   11   HG23  ILE 321          2HG2      ILE 321  -3.757   3.401   5.770
   12   HG12  ILE 325          2HG1      ILE 325  -0.832   4.522   7.071
   13   HG13  ILE 325          1HG1      ILE 325  -0.178   4.744   5.450
   14   HG21  ILE 325          3HG2      ILE 325   2.092   7.169   6.881
   15   HG22  ILE 325          1HG2      ILE 325   1.133   7.943   5.619
   16   HG23  ILE 325          2HG2      ILE 325   1.733   6.300   5.388
   17   HG11  VAL 334          1HG1      VAL 334   8.856  22.243  16.544
   18   HG12  VAL 334          2HG1      VAL 334  10.617  22.168  16.616
   19   HG13  VAL 334          3HG1      VAL 334   9.656  20.753  17.045
   20   HG21  VAL 334          3HG2      VAL 334  10.997  22.863  14.594
   21   HG22  VAL 334          1HG2      VAL 334   9.441  22.914  13.763
   22   HG23  VAL 334          2HG2      VAL 334  10.729  21.870  13.163
   23   HG12  ILE 337          2HG1      ILE 337  19.607  20.931  22.172
   24   HG13  ILE 337          1HG1      ILE 337  20.211  19.317  21.797
   25   HG21  ILE 337          3HG2      ILE 337  16.794  20.501  21.172
   26   HG22  ILE 337          1HG2      ILE 337  17.767  19.482  22.230
   27   HG23  ILE 337          2HG2      ILE 337  17.042  18.802  20.775
   28   HG11  VAL 349          1HG1      VAL 349  26.118  20.024   7.700
   29   HG12  VAL 349          2HG1      VAL 349  27.096  20.558   9.067
   30   HG13  VAL 349          3HG1      VAL 349  25.993  19.193   9.250
   31   HG21  VAL 349          3HG2      VAL 349  29.710  19.618   7.813
   32   HG22  VAL 349          1HG2      VAL 349  29.655  18.489   9.167
   33   HG23  VAL 349          2HG2      VAL 349  28.952  20.099   9.332
   34   HG11  VAL 353          1HG1      VAL 353  22.639  11.046  -0.407
   35   HG12  VAL 353          2HG1      VAL 353  22.332  10.500   1.242
   36   HG13  VAL 353          3HG1      VAL 353  21.955  12.159   0.777
   37   HG21  VAL 353          3HG2      VAL 353  21.115   8.893  -0.992
   38   HG22  VAL 353          1HG2      VAL 353  19.511   8.853  -0.261
   39   HG23  VAL 353          2HG2      VAL 353  20.945   8.710   0.755
   40   HG21  THR 357          3HG2      THR 357  14.895   7.653   4.769
   41   HG22  THR 357          1HG2      THR 357  16.620   7.338   4.971
   42   HG23  THR 357          2HG2      THR 357  15.476   5.996   4.937
   43   HG11  VAL 366          1HG1      VAL 366  -1.275  12.303  -2.761
   44   HG12  VAL 366          2HG1      VAL 366  -0.268  11.086  -3.544
   45   HG13  VAL 366          3HG1      VAL 366   0.468  12.547  -2.887
   46   HG21  VAL 366          3HG2      VAL 366   1.474  11.217   0.035
   47   HG22  VAL 366          1HG2      VAL 366   0.348  12.572   0.099
   48   HG23  VAL 366          2HG2      VAL 366   1.532  12.471  -1.204
   49   HG12  ILE 367          2HG1      ILE 367  -1.590   7.337  -4.770
   50   HG13  ILE 367          1HG1      ILE 367  -0.824   7.769  -3.245
   51   HG21  ILE 367          3HG2      ILE 367  -4.828   6.339  -3.471
   52   HG22  ILE 367          1HG2      ILE 367  -3.523   5.283  -4.013
   53   HG23  ILE 367          2HG2      ILE 367  -3.893   6.756  -4.908
   54   HG21  THR 372          3HG2      THR 372 -14.878   9.010  -4.229
   55   HG22  THR 372          1HG2      THR 372 -15.354   7.402  -3.685
   56   HG23  THR 372          2HG2      THR 372 -15.634   7.886  -5.357
   57   HG12  ILE 381          2HG1      ILE 381 -17.973  -3.364  -6.482
   58   HG13  ILE 381          1HG1      ILE 381 -16.673  -3.003  -5.346
   59   HG21  ILE 381          3HG2      ILE 381 -18.463  -1.319  -7.840
   60   HG22  ILE 381          1HG2      ILE 381 -17.418  -1.854  -9.156
   61   HG23  ILE 381          2HG2      ILE 381 -17.142  -0.289  -8.391
   62   HG12  ILE 382          2HG1      ILE 382 -13.309   1.472  -8.725
   63   HG13  ILE 382          1HG1      ILE 382 -13.082  -0.134  -8.042
   64   HG21  ILE 382          3HG2      ILE 382 -15.038  -0.492 -11.224
   65   HG22  ILE 382          1HG2      ILE 382 -14.847   1.185 -10.711
   66   HG23  ILE 382          2HG2      ILE 382 -15.248  -0.059  -9.527
   67   HG12  ILE 387          2HG1      ILE 387  -7.604   1.814  -8.155
   68   HG13  ILE 387          1HG1      ILE 387  -8.499   1.151  -9.522
   69   HG21  ILE 387          3HG2      ILE 387  -4.619   2.838  -9.916
   70   HG22  ILE 387          1HG2      ILE 387  -4.694   1.169  -9.352
   71   HG23  ILE 387          2HG2      ILE 387  -5.342   2.469  -8.351
   72   HG12  ILE 390          2HG1      ILE 390  -8.071   7.038  -7.144
   73   HG13  ILE 390          1HG1      ILE 390  -8.382   7.973  -8.603
   74   HG21  ILE 390          3HG2      ILE 390  -4.975   5.685  -7.934
   75   HG22  ILE 390          1HG2      ILE 390  -6.377   5.642  -6.865
   76   HG23  ILE 390          2HG2      ILE 390  -5.485   7.148  -7.089
   77   HG12  ILE 392          2HG1      ILE 392  -3.350   8.145 -13.999
   78   HG13  ILE 392          1HG1      ILE 392  -3.563   9.280 -15.330
   79   HG21  ILE 392          3HG2      ILE 392  -3.335  11.647 -15.017
   80   HG22  ILE 392          1HG2      ILE 392  -1.687  11.497 -14.409
   81   HG23  ILE 392          2HG2      ILE 392  -2.904  12.343 -13.455
   82   HG21  THR 396          3HG2      THR 396   3.971   6.778  -6.705
   83   HG22  THR 396          1HG2      THR 396   2.735   6.344  -5.527
   84   HG23  THR 396          2HG2      THR 396   2.665   7.905  -6.341
   85   HG11  VAL 401          1HG1      VAL 401  -4.497   1.433  -4.874
   86   HG12  VAL 401          2HG1      VAL 401  -4.961   0.367  -6.201
   87   HG13  VAL 401          3HG1      VAL 401  -5.234   2.104  -6.329
   88   HG21  VAL 401          3HG2      VAL 401  -3.561   3.627  -6.555
   89   HG22  VAL 401          1HG2      VAL 401  -1.943   3.185  -7.098
   90   HG23  VAL 401          2HG2      VAL 401  -2.352   3.100  -5.385
   91   HG21  THR 410          3HG2      THR 410  -1.279 -12.023   3.999
   92   HG22  THR 410          1HG2      THR 410  -1.378 -10.823   5.286
   93   HG23  THR 410          2HG2      THR 410  -0.122 -10.694   4.056
   94   HG12  ILE 425          2HG1      ILE 425 -11.538 -26.238   9.273
   95   HG13  ILE 425          1HG1      ILE 425 -10.434 -27.587   9.536
   96   HG21  ILE 425          3HG2      ILE 425 -13.854 -27.645   7.109
   97   HG22  ILE 425          1HG2      ILE 425 -12.452 -27.094   6.191
   98   HG23  ILE 425          2HG2      ILE 425 -13.012 -26.169   7.583
  Start of MODEL   10
    1   HG21  THR 315          3HG2      THR 315 -16.441  -6.601   8.472
    2   HG22  THR 315          1HG2      THR 315 -15.728  -7.481   9.824
    3   HG23  THR 315          2HG2      THR 315 -15.581  -8.113   8.184
    4   HG21  THR 317          3HG2      THR 317 -15.220  -1.188   5.461
    5   HG22  THR 317          1HG2      THR 317 -15.437  -0.662   3.791
    6   HG23  THR 317          2HG2      THR 317 -15.742   0.461   5.116
    7   HG12  ILE 321          2HG1      ILE 321  -4.694  -0.571   6.969
    8   HG13  ILE 321          1HG1      ILE 321  -6.365  -0.048   7.175
    9   HG21  ILE 321          3HG2      ILE 321  -3.130   0.581   6.291
   10   HG22  ILE 321          1HG2      ILE 321  -3.220   2.329   6.067
   11   HG23  ILE 321          2HG2      ILE 321  -3.502   1.249   4.701
   12   HG12  ILE 325          2HG1      ILE 325   0.795   4.726   7.397
   13   HG13  ILE 325          1HG1      ILE 325  -0.947   4.497   7.235
   14   HG21  ILE 325          3HG2      ILE 325   1.790   7.079   6.846
   15   HG22  ILE 325          1HG2      ILE 325   0.741   8.192   5.968
   16   HG23  ILE 325          2HG2      ILE 325   1.201   6.654   5.239
   17   HG11  VAL 334          1HG1      VAL 334  11.914  21.334  15.007
   18   HG12  VAL 334          2HG1      VAL 334  12.789  21.671  16.501
   19   HG13  VAL 334          3HG1      VAL 334  13.283  22.444  14.994
   20   HG21  VAL 334          3HG2      VAL 334  12.044  25.245  16.459
   21   HG22  VAL 334          1HG2      VAL 334  11.890  25.032  14.715
   22   HG23  VAL 334          2HG2      VAL 334  13.297  24.388  15.562
   23   HG12  ILE 337          2HG1      ILE 337  10.679  28.810  11.122
   24   HG13  ILE 337          1HG1      ILE 337  10.756  30.571  11.055
   25   HG21  ILE 337          3HG2      ILE 337   9.653  27.899   8.990
   26   HG22  ILE 337          1HG2      ILE 337  11.347  27.557   8.637
   27   HG23  ILE 337          2HG2      ILE 337  10.358  28.416   7.458
   28   HG11  VAL 349          1HG1      VAL 349  24.804  27.383   3.828
   29   HG12  VAL 349          2HG1      VAL 349  23.756  26.889   2.498
   30   HG13  VAL 349          3HG1      VAL 349  25.298  26.073   2.755
   31   HG21  VAL 349          3HG2      VAL 349  21.954  26.371   3.365
   32   HG22  VAL 349          1HG2      VAL 349  22.117  26.527   5.114
   33   HG23  VAL 349          2HG2      VAL 349  21.708  24.967   4.402
   34   HG11  VAL 353          1HG1      VAL 353  23.409   7.889   6.621
   35   HG12  VAL 353          2HG1      VAL 353  25.040   8.555   6.673
   36   HG13  VAL 353          3HG1      VAL 353  24.072   8.710   5.208
   37   HG21  VAL 353          3HG2      VAL 353  24.757  11.695   7.246
   38   HG22  VAL 353          1HG2      VAL 353  25.439  10.128   7.681
   39   HG23  VAL 353          2HG2      VAL 353  24.160  10.838   8.666
   40   HG21  THR 357          3HG2      THR 357  13.789   8.732   0.468
   41   HG22  THR 357          1HG2      THR 357  13.633   7.146  -0.288
   42   HG23  THR 357          2HG2      THR 357  15.160   8.023  -0.384
   43   HG11  VAL 366          1HG1      VAL 366  -1.015  12.196  -3.613
   44   HG12  VAL 366          2HG1      VAL 366  -0.748  10.625  -4.368
   45   HG13  VAL 366          3HG1      VAL 366   0.605  11.730  -4.130
   46   HG21  VAL 366          3HG2      VAL 366   1.927  11.239  -1.695
   47   HG22  VAL 366          1HG2      VAL 366   0.670  11.631  -0.521
   48   HG23  VAL 366          2HG2      VAL 366   0.888  12.641  -1.951
   49   HG12  ILE 367          2HG1      ILE 367  -1.354   6.878  -5.267
   50   HG13  ILE 367          1HG1      ILE 367  -0.528   7.291  -3.764
   51   HG21  ILE 367          3HG2      ILE 367  -2.829   4.641  -4.679
   52   HG22  ILE 367          1HG2      ILE 367  -3.850   6.022  -5.084
   53   HG23  ILE 367          2HG2      ILE 367  -4.164   5.093  -3.618
   54   HG21  THR 372          3HG2      THR 372 -15.476   8.225  -5.865
   55   HG22  THR 372          1HG2      THR 372 -14.831   9.157  -4.514
   56   HG23  THR 372          2HG2      THR 372 -15.553   7.574  -4.228
   57   HG12  ILE 381          2HG1      ILE 381 -17.325   1.114  -4.913
   58   HG13  ILE 381          1HG1      ILE 381 -16.389   2.430  -4.250
   59   HG21  ILE 381          3HG2      ILE 381 -15.279   3.908  -5.594
   60   HG22  ILE 381          1HG2      ILE 381 -15.863   3.897  -7.257
   61   HG23  ILE 381          2HG2      ILE 381 -14.281   3.230  -6.874
   62   HG12  ILE 382          2HG1      ILE 382 -16.543   1.800 -10.912
   63   HG13  ILE 382          1HG1      ILE 382 -16.233   1.501 -12.613
   64   HG21  ILE 382          3HG2      ILE 382 -12.917   0.854 -12.628
   65   HG22  ILE 382          1HG2      ILE 382 -14.472   0.787 -13.458
   66   HG23  ILE 382          2HG2      ILE 382 -13.873  -0.628 -12.592
   67   HG12  ILE 387          2HG1      ILE 387  -7.249   1.692  -7.745
   68   HG13  ILE 387          1HG1      ILE 387  -8.646   1.655  -8.821
   69   HG21  ILE 387          3HG2      ILE 387  -4.843   1.017 -10.421
   70   HG22  ILE 387          1HG2      ILE 387  -5.263   0.704  -8.739
   71   HG23  ILE 387          2HG2      ILE 387  -4.772   2.324  -9.239
   72   HG12  ILE 390          2HG1      ILE 390  -7.155   6.474  -6.801
   73   HG13  ILE 390          1HG1      ILE 390  -6.594   8.086  -7.247
   74   HG21  ILE 390          3HG2      ILE 390  -4.206   5.384  -8.519
   75   HG22  ILE 390          1HG2      ILE 390  -5.212   5.280  -7.073
   76   HG23  ILE 390          2HG2      ILE 390  -4.265   6.734  -7.385
   77   HG12  ILE 392          2HG1      ILE 392  -1.710   8.633 -15.006
   78   HG13  ILE 392          1HG1      ILE 392  -2.761   7.712 -13.930
   79   HG21  ILE 392          3HG2      ILE 392  -3.698  11.220 -15.312
   80   HG22  ILE 392          1HG2      ILE 392  -1.968  10.879 -15.367
   81   HG23  ILE 392          2HG2      ILE 392  -2.620  11.929 -14.109
   82   HG21  THR 396          3HG2      THR 396   1.937   5.539  -4.903
   83   HG22  THR 396          1HG2      THR 396   2.666   6.972  -5.630
   84   HG23  THR 396          2HG2      THR 396   3.562   5.454  -5.584
   85   HG11  VAL 401          1HG1      VAL 401  -4.133   2.247  -5.829
   86   HG12  VAL 401          2HG1      VAL 401  -4.898   1.060  -6.883
   87   HG13  VAL 401          3HG1      VAL 401  -4.835   2.756  -7.363
   88   HG21  VAL 401          3HG2      VAL 401  -2.750   3.823  -7.185
   89   HG22  VAL 401          1HG2      VAL 401  -2.278   3.314  -8.807
   90   HG23  VAL 401          2HG2      VAL 401  -1.225   2.974  -7.434
   91   HG21  THR 410          3HG2      THR 410  -0.971 -11.273   4.410
   92   HG22  THR 410          1HG2      THR 410  -1.953 -10.523   5.668
   93   HG23  THR 410          2HG2      THR 410  -0.471  -9.739   5.122
   94   HG12  ILE 425          2HG1      ILE 425 -11.200 -28.159  23.441
   95   HG13  ILE 425          1HG1      ILE 425 -11.675 -29.340  24.663
   96   HG21  ILE 425          3HG2      ILE 425 -12.052 -26.115  23.293
   97   HG22  ILE 425          1HG2      ILE 425 -12.497 -25.230  24.752
   98   HG23  ILE 425          2HG2      ILE 425 -13.732 -26.084  23.826